| 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 | 50.5 | Low | 74.2 | Confident | 161 Ų | 161 | 67.5 Ų | 67.5 | 79% | 0.793 | 38% | 0.38 | S | S | * | . | 0 | 149.1 | 0 | -67.7 | 179.2 | 172.3 | 0 | 0 | 108.1 | D515 L517 | M1-D515 HydrophobicContact CE-CB 3.75Å; M1-D515 WeakPolarHBondContact CE-OD2 3.14Å; M1-D515 HydrophobicContact SD-CB 4.32Å; M1-L517 HydrophobicContact SD-CD1 4.34Å | |||
| 2 | Q | 65.9 | Low | 74.3 | Confident | 16 Ų | 16 | 63.3 Ų | 63.3 | 8% | 0.075 | 36% | 0.356 | C | S | . | . | trans | -65.6 | 154.5 | 162 | -90.1 | -174.1 | -9 | 0 | 0 | 110 | F514 S584 L586 V641 | Q2-F514 HydrophobicContact CB-CD1 4.08Å; Q2-F514 HydrophobicContact CB-CE1 4.45Å; Q2-F514 HydrophobicContact CG-CD1 3.99Å; Q2-F514 HydrophobicContact CG-CE1 3.84Å; Q2-S584 PolarHBondContact NE2-O 3.36Å; Q2-L586 PolarHBondContact NE2-O 3.36Å; Q2-V641 WeakPolarHBondContact CG-O 3.37Å | ||
| 3 | P | 68.1 | Low | 74.4 | Confident | 34 Ų | 34 | 65.6 Ų | 65.6 | 22% | 0.221 | 37% | 0.368 | C | S | . | . | trans | -65.4 | 142.5 | 166 | 23.3 | -28.3 | 0 | 0 | 0 | 111.7 | V641 E646 | P3-V641 VanDerWaalsContact CD-O 3.27Å; P3-V641 WeakPolarHBondContact CD-O 3.3Å; P3-V641 HydrophobicContact CG-CB 4.35Å; P3-V641 WeakPolarHBondContact CG-O 3.34Å; P3-V641 PolarHBondContact O-N 2.92Å; P3-V641 VanDerWaalsContact O-N 3.11Å; P3-E646 HydrophobicContact CB-CB 4.22Å; P3-E646 HydrophobicContact CB-CG 3.87Å; P3-E646 HydrophobicContact CG-CB 3.42Å; P3-E646 VanDerWaalsContact CG-CB 3.42Å; P3-E646 HydrophobicContact CG-CG 3.62Å | ||
| 4 | T | 79.7 | Confident | 74.6 | Confident | 66 Ų | 66 | 60.9 Ų | 60.9 | 41% | 0.405 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 133.6 | -171.9 | 54.7 | 0 | 0 | 0 | 0 | 111.6 | I638 M639 F640 | T4-I638 HydrophobicContact CG2-CG2 4.25Å; T4-M639 WeakPolarHBondContact CA-O 3.31Å; T4-F640 HydrophobicContact CG2-CD1 3.58Å; T4-F640 HydrophobicContact CG2-CE1 3.45Å; T4-F640 VanDerWaalsContact CG2-CE1 3.45Å; T4-F640 HydrophobicContact CG2-CG 4.47Å; T4-F640 HydrophobicContact CG2-CZ 4.28Å |
| 5 | Y | 80.9 | Confident | 74.5 | Confident | 62 Ų | 62 | 58.9 Ų | 58.9 | 24% | 0.243 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 121.9 | 177 | -64.9 | -80.5 | 0 | 0 | 0 | 110.9 | I638 M639 V641 E646 R653 | Y5-I638 CarbonylContact O-C 3.44Å; Y5-I638 VanDerWaalsContact O-CA 3.26Å; Y5-I638 WeakPolarHBondContact O-CA 3.32Å; Y5-M639 HydrophobicContact CD2-CE 4.5Å; Y5-M639 PolarHBondContact N-O 3.04Å; Y5-M639 PolarHBondContact O-N 3.29Å; Y5-V641 HydrophobicContact CD2-CG2 3.75Å; Y5-V641 HydrophobicContact CE2-CB 4.39Å; Y5-V641 HydrophobicContact CE2-CG2 3.9Å; Y5-E646 WeakPolarHBondContact CE2-OE2 3.22Å; Y5-E646 PolarHBondContact OH-OE1 3.11Å; Y5-E646 PolarHBondContact OH-OE2 3.42Å; Y5-R653 VanDerWaalsContact CZ-NH2 3.27Å; Y5-R653 VanDerWaalsContact OH-CZ 3.29Å; Y5-R653 PolarHBondContact OH-NH1 2.8Å; Y5-R653 PolarHBondContact OH-NH2 2.6Å |
| 6 | L | 82 | Confident | 74.2 | Confident | 75 Ų | 75 | 56.2 Ų | 56.2 | 39% | 0.393 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 119.6 | 176.6 | -176.8 | 70.9 | 0 | 0 | 0 | 110.3 | P519 I638 | L6-P519 HydrophobicContact CD2-CG 4.35Å; L6-I638 HydrophobicContact CB-CG1 4.49Å; L6-I638 HydrophobicContact CD1-CD1 4.11Å; L6-I638 HydrophobicContact CD1-CG1 3.52Å |
| 7 | E | 81.9 | Confident | 73.6 | Confident | 85 Ų | 85 | 54.6 Ų | 54.6 | 40% | 0.397 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 117.3 | 174.2 | 176.7 | 178.6 | -130.3 | 0 | 0 | 108.9 | L9 S636 R637 | E7-L9 HydrophobicContact CG-CD2 4.29Å; E7-L9 PolarHBondContact O-N 2.96Å; E7-S636 CarbonylContact O-C 3.58Å; E7-S636 WeakPolarHBondContact O-CA 3.46Å; E7-R637 HydrophobicContact CB-CB 4.36Å; E7-R637 PolarHBondContact N-O 3.29Å; E7-R637 PolarHBondContact O-N 3.38Å; E7-R637 WeakPolarHBondContact OE2-CD 3.25Å; E7-R637 IonicContact OE2-NE 3.81Å; E7-R637 IonicContact OE2-NH1 2.94Å |
| 8 | P | 78.5 | Confident | 72.4 | Confident | 107 Ų | 107 | 58.5 Ų | 58.5 | 70% | 0.695 | 32% | 0.318 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 123.4 | 173.5 | 29.6 | -31.8 | 0 | 0 | 0 | 109.8 | ||
| 9 | L | 77.3 | Confident | 71.2 | Confident | 45 Ų | 45 | 58.6 Ų | 58.6 | 24% | 0.236 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | -21.9 | -179.7 | -66.3 | -178.2 | 0 | 0 | 0 | 113.3 | E7 L591 L635 R637 | E7-L9 HydrophobicContact CG-CD2 4.29Å; E7-L9 PolarHBondContact O-N 2.96Å; L9-L591 HydrophobicContact CD1-CD2 3.51Å; L9-L635 HydrophobicContact CB-CD2 4.4Å; L9-L635 HydrophobicContact CD1-CD2 3.99Å; L9-L635 HydrophobicContact CD1-CG 4.4Å; L9-L635 PolarHBondContact N-O 2.92Å; L9-R637 HydrophobicContact CD1-CB 3.98Å; L9-R637 HydrophobicContact CD2-CB 4.26Å; L9-R637 HydrophobicContact CG-CB 4.02Å |
| 10 | G | 75.3 | Confident | 69.5 | Low | 24 Ų | 24 | 62.6 Ų | 62.6 | 25% | 0.247 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 157.2 | -178.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | L635 | G10-L635 PolarHBondContact N-O 2.8Å; G10-L635 PolarHBondContact O-N 3.47Å |
| 11 | S | 76.1 | Confident | 68 | Low | 68 Ų | 68 | 67.6 Ų | 67.6 | 48% | 0.476 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 139.9 | 175.7 | 56 | 0 | 0 | 0 | 0 | 111.2 | Y633 | S11-Y633 CarbonylContact C-O 3.55Å; S11-Y633 WeakPolarHBondContact CA-O 3.49Å; S11-Y633 WeakPolarHBondContact CB-O 3.41Å |
| 12 | V | 75.7 | Confident | 67.4 | Low | 16 Ų | 16 | 64.1 Ų | 64.1 | 10% | 0.097 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 124.1 | -178.1 | 174.5 | 0 | 0 | 0 | 0 | 108.4 | L40 F49 W55 Y633 | V12-L40 HydrophobicContact CG1-CD1 4.1Å; V12-F49 HydrophobicContact CG1-CD1 4.12Å; V12-F49 HydrophobicContact CG1-CD2 4.39Å; V12-F49 HydrophobicContact CG1-CE1 3.45Å; V12-F49 VanDerWaalsContact CG1-CE1 3.45Å; V12-F49 HydrophobicContact CG1-CE2 3.77Å; V12-F49 HydrophobicContact CG1-CZ 3.26Å; V12-F49 HydrophobicContact CG2-CD1 4.26Å; V12-F49 HydrophobicContact CG2-CE1 4.36Å; V12-W55 HydrophobicContact CG2-CB 4.28Å; V12-Y633 PolarHBondContact N-O 2.81Å; V12-Y633 PolarHBondContact O-N 2.94Å |
| 13 | N | 75.8 | Confident | 66.2 | Low | 94 Ų | 94 | 68.1 Ų | 68.1 | 50% | 0.503 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 123.8 | 170.4 | -69.7 | 3.8 | 0 | 0 | 0 | 108.8 | ||
| 14 | F | 77 | Confident | 65.1 | Low | 0 Ų | 0 | 75.9 Ų | 75.9 | 0% | 0 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 107.7 | 173.7 | -175 | -81.9 | 0 | 0 | 0 | 108.5 | K16 T27 L40 D42 K45 E47 C631 Y633 | F14-K16 HydrophobicContact CD1-CG 3.92Å; F14-K16 HydrophobicContact CE1-CG 4.12Å; F14-K16 PolarHBondContact O-N 2.8Å; F14-T27 HydrophobicContact CD1-CG2 4.11Å; F14-T27 HydrophobicContact CE1-CG2 3.95Å; F14-T27 HydrophobicContact CZ-CG2 4.29Å; F14-L40 HydrophobicContact CD2-CB 4.03Å; F14-L40 HydrophobicContact CE2-CB 4.07Å; F14-D42 HydrophobicContact CE1-CB 4.43Å; F14-K45 HydrophobicContact CE1-CD 4.26Å; F14-K45 HydrophobicContact CE2-CD 4.31Å; F14-K45 HydrophobicContact CE2-CG 4.35Å; F14-K45 HydrophobicContact CZ-CB 4.15Å; F14-K45 HydrophobicContact CZ-CD 3.93Å; F14-K45 HydrophobicContact CZ-CG 4Å; F14-E47 HydrophobicContact CD2-CB 4.27Å; F14-E47 HydrophobicContact CD2-CG 4.14Å; F14-E47 WeakPolarHBondContact CD2-OE2 3.21Å; F14-E47 HydrophobicContact CE2-CB 4.17Å; F14-E47 HydrophobicContact CE2-CG 3.94Å; F14-C631 PolarHBondContact N-O 2.97Å; F14-C631 PolarHBondContact O-N 2.96Å; F14-Y633 HydrophobicContact CB-CD2 3.77Å; F14-Y633 HydrophobicContact CB-CE2 3.82Å; F14-Y633 HydrophobicContact CG-CE2 4.43Å |
| 15 | S | 72.6 | Confident | 63.7 | Low | 31 Ų | 31 | 73.8 Ų | 73.8 | 22% | 0.217 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 123.2 | 175.1 | 56.3 | 0 | 0 | 0 | 0 | 110.8 | K45 D630 | S15-K45 PolarHBondContact O-NZ 3.5Å; S15-K45 PolarHBondContact OG-NZ 2.92Å; S15-D630 WeakPolarHBondContact CA-OD1 3.4Å; S15-D630 WeakPolarHBondContact CB-OD1 3.41Å |
| 16 | K | 69.5 | Low | 62.9 | Low | 15 Ų | 15 | 74.8 Ų | 74.8 | 7% | 0.065 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 146.7 | 177.4 | -75.2 | -162.8 | 175 | -174 | 0 | 112.2 | F14 N25 T27 Y628 Y629 Y633 | F14-K16 HydrophobicContact CD1-CG 3.92Å; F14-K16 HydrophobicContact CE1-CG 4.12Å; F14-K16 PolarHBondContact O-N 2.8Å; K16-N25 PolarHBondContact NZ-O 3.39Å; K16-T27 VanDerWaalsContact CE-OG1 3.27Å; K16-T27 WeakPolarHBondContact CE-OG1 3.35Å; K16-T27 PolarHBondContact NZ-OG1 3.08Å; K16-Y628 WeakPolarHBondContact O-CA 3.38Å; K16-Y629 HydrophobicContact CB-CD1 4.14Å; K16-Y629 HydrophobicContact CB-CE1 3.62Å; K16-Y629 HydrophobicContact CB-CE2 4.04Å; K16-Y629 HydrophobicContact CD-CE2 4.24Å; K16-Y629 WeakPolarHBondContact CD-OH 3.37Å; K16-Y629 PolarHBondContact N-O 3.35Å; K16-Y629 PolarHBondContact O-N 2.97Å; K16-Y629 VanDerWaalsContact O-N 3.09Å; K16-Y633 VanDerWaalsContact CE-OH 3.31Å; K16-Y633 WeakPolarHBondContact CE-OH 3.45Å; K16-Y633 PolarHBondContact NZ-OH 2.89Å |
| 17 | F | 63.7 | Low | 62.6 | Low | 29 Ų | 29 | 71.7 Ų | 71.7 | 13% | 0.127 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 132 | 165.5 | -87.2 | -94.4 | 0 | 0 | 0 | 110.8 | T19 H44 Y626 Y628 | F17-T19 VanDerWaalsContact C-N 3.34Å; F17-T19 HydrophobicContact CB-CG2 4.45Å; F17-T19 PolarHBondContact O-N 2.95Å; F17-T19 VanDerWaalsContact O-N 3.16Å; F17-H44 HydrophobicContact CD2-CB 4.05Å; F17-H44 HydrophobicContact CE2-CB 4.29Å; F17-Y626 HydrophobicContact CD1-CD1 4.04Å; F17-Y626 HydrophobicContact CD1-CG 4.22Å; F17-Y626 AromaticContact CE1-CD1 3.69Å; F17-Y626 HydrophobicContact CE1-CD1 3.69Å; F17-Y626 AromaticContact CE1-CD2 3.92Å; F17-Y626 HydrophobicContact CE1-CD2 3.92Å; F17-Y626 HydrophobicContact CE1-CE1 4.09Å; F17-Y626 HydrophobicContact CE1-CE2 4.28Å; F17-Y626 AromaticContact CE1-CG 3.6Å; F17-Y626 HydrophobicContact CE1-CG 3.6Å; F17-Y628 HydrophobicContact CD1-CE1 4.45Å; F17-Y628 AromaticContact CD2-CE1 3.79Å; F17-Y628 HydrophobicContact CD2-CE1 3.79Å; F17-Y628 HydrophobicContact CE1-CE1 4.3Å; F17-Y628 AromaticContact CE2-CE1 3.6Å; F17-Y628 HydrophobicContact CE2-CE1 3.6Å; F17-Y628 HydrophobicContact CG-CE1 4.22Å; F17-Y628 AromaticContact CZ-CE1 3.88Å; F17-Y628 HydrophobicContact CZ-CE1 3.88Å; F17-Y628 AromaticContact CZ-CZ 3.81Å; F17-Y628 WeakPolarHBondContact CZ-OH 3.49Å |
| 18 | K | 52.2 | Low | 62.7 | Low | 125 Ų | 125 | 71.6 Ų | 71.6 | 54% | 0.543 | 39% | 0.387 | S | S | . | . | trans | -85.5 | 74 | 173.3 | -168.5 | 178 | 177.6 | -177.6 | 0 | 110.7 | Q627 Y629 | K18-Q627 HydrophobicContact CB-CB 4.44Å; K18-Q627 WeakPolarHBondContact CB-O 3.45Å; K18-Q627 HydrophobicContact CD-CB 3.91Å; K18-Q627 PolarHBondContact N-O 2.57Å; K18-Y629 HydrophobicContact CB-CD1 3.99Å; K18-Y629 HydrophobicContact CB-CE1 4.2Å; K18-Y629 HydrophobicContact CG-CD1 4.45Å | ||
| 19 | T | 49.7 | Very low | 63 | Low | 60 Ų | 60 | 67.1 Ų | 67.1 | 37% | 0.368 | 36% | 0.358 | S | S | . | . | trans | -78.2 | 161.5 | 167.9 | 50.8 | 0 | 0 | 0 | 0 | 110.9 | F17 N25 | F17-T19 VanDerWaalsContact C-N 3.34Å; F17-T19 HydrophobicContact CB-CG2 4.45Å; F17-T19 PolarHBondContact O-N 2.95Å; F17-T19 VanDerWaalsContact O-N 3.16Å; T19-N25 PolarHBondContact OG1-ND2 3.38Å | ||
| 20 | D | 37 | Very low | 63.3 | Low | 139 Ų | 139 | 66.4 Ų | 66.4 | 74% | 0.743 | 36% | 0.355 | S | S | * | . | trans | -62.2 | 151.1 | -177.2 | -85.6 | -53.5 | 0 | 0 | 0 | 114.1 | S22 | D20-S22 PolarHBondContact O-N 2.73Š| ||
| 21 | I | 38.5 | Very low | 63.6 | Low | 167 Ų | 167 | 66.1 Ų | 66.1 | 86% | 0.856 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -12.5 | -155.8 | -69 | 160.9 | 0 | 0 | 0 | 115.8 | ||
| 22 | S | 37.6 | Very low | 63.8 | Low | 88 Ų | 88 | 62.9 Ų | 62.9 | 62% | 0.615 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -43.9 | -178.6 | 49.9 | 0 | 0 | 0 | 0 | 113.5 | D20 R24 | D20-S22 PolarHBondContact O-N 2.73Å; S22-R24 PolarHBondContact O-N 3.06Å |
| 23 | L | 40.3 | Very low | 63.4 | Low | 100 Ų | 100 | 64.3 Ų | 64.3 | 52% | 0.524 | 34% | 0.335 | S | S | . | . | trans | -85.3 | 97.8 | -176.2 | -76.6 | 163.1 | 0 | 0 | 0 | 110.6 | N25 | L23-N25 PolarHBondContact O-N 2.88Š| ||
| 24 | R | 45 | Very low | 63.1 | Low | 197 Ų | 197 | 61.8 Ų | 61.8 | 74% | 0.743 | 33% | 0.325 | S | S | * | . | trans | -64.3 | 84.1 | 163.1 | -69.2 | -164.6 | -166.1 | -168.2 | 11.6 | 109.2 | S22 T26 E355 | S22-R24 PolarHBondContact O-N 3.06Å; R24-T26 VanDerWaalsContact C-N 3.31Å; R24-T26 PolarHBondContact O-N 3.02Å; R24-E355 IonicContact NH2-OE2 3.85Å | ||
| 25 | N | 51.2 | Low | 62.8 | Low | 22 Ų | 22 | 62.6 Ų | 62.6 | 12% | 0.118 | 33% | 0.33 | C | S | . | . | trans | -62.8 | 87.7 | 177.4 | -79.2 | -16.6 | 0 | 0 | 0 | 110.7 | K16 T19 L23 T27 I43 | K16-N25 PolarHBondContact NZ-O 3.39Å; T19-N25 PolarHBondContact OG1-ND2 3.38Å; L23-N25 PolarHBondContact O-N 2.88Å; N25-T27 PolarHBondContact O-N 2.9Å; N25-T27 VanDerWaalsContact O-N 3.14Å; N25-I43 WeakPolarHBondContact OD1-CD1 3.16Å | ||
| 26 | T | 64.4 | Low | 63 | Low | 83 Ų | 83 | 62.7 Ų | 62.7 | 51% | 0.509 | 33% | 0.333 | S | S | . | . | trans | -69.6 | 106.4 | 177.9 | 54.5 | 0 | 0 | 0 | 0 | 109.2 | R24 Q28 | R24-T26 VanDerWaalsContact C-N 3.31Å; R24-T26 PolarHBondContact O-N 3.02Å; T26-Q28 PolarHBondContact O-N 3.49Å | ||
| 27 | T | 76.2 | Confident | 63.6 | Low | 10 Ų | 10 | 62.2 Ų | 62.2 | 6% | 0.061 | 33% | 0.331 | C | S | . | . | trans | -59.2 | 122.9 | 171.7 | -5.2 | 0 | 0 | 0 | 0 | 108.5 | F14 K16 N25 Y41 D42 Y633 | F14-T27 HydrophobicContact CD1-CG2 4.11Å; F14-T27 HydrophobicContact CE1-CG2 3.95Å; F14-T27 HydrophobicContact CZ-CG2 4.29Å; K16-T27 VanDerWaalsContact CE-OG1 3.27Å; K16-T27 WeakPolarHBondContact CE-OG1 3.35Å; K16-T27 PolarHBondContact NZ-OG1 3.08Å; N25-T27 PolarHBondContact O-N 2.9Å; N25-T27 VanDerWaalsContact O-N 3.14Å; T27-Y41 CarbonylContact C-O 3.55Å; T27-Y41 WeakPolarHBondContact CA-O 3.34Å; T27-D42 HydrophobicContact CG2-CB 4.49Å; T27-Y633 HydrophobicContact CG2-CE2 4.29Å; T27-Y633 PolarHBondContact OG1-OH 3.49Å | ||
| 28 | Q | 82.8 | Confident | 64.7 | Low | 84 Ų | 84 | 61.1 Ų | 61.1 | 39% | 0.393 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 156.4 | 174.7 | -64.5 | -175.9 | 52.9 | 0 | 0 | 109.3 | T26 L40 Y41 | T26-Q28 PolarHBondContact O-N 3.49Å; Q28-L40 WeakPolarHBondContact O-CA 3.42Å; Q28-Y41 HydrophobicContact CB-CD1 4.17Å; Q28-Y41 HydrophobicContact CB-CD2 4.12Å; Q28-Y41 HydrophobicContact CB-CE1 3.71Å; Q28-Y41 HydrophobicContact CB-CE2 3.65Å; Q28-Y41 HydrophobicContact CB-CG 4.36Å; Q28-Y41 VanDerWaalsContact CB-CZ 3.43Å; Q28-Y41 HydrophobicContact CG-CE2 4.12Å; Q28-Y41 PolarHBondContact N-O 2.95Å; Q28-Y41 PolarHBondContact O-N 3.44Å; Q28-Y41 PolarHBondContact OE1-OH 3.39Å |
| 29 | I | 84.6 | Confident | 66.4 | Low | 13 Ų | 13 | 55.1 Ų | 55.1 | 7% | 0.067 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 136.2 | -178.1 | -175.6 | 174.4 | 0 | 0 | 0 | 109.1 | F31 V38 C39 L40 H527 F593 | I29-F31 HydrophobicContact CD1-CE1 4.2Å; I29-F31 HydrophobicContact CD1-CE2 3.7Å; I29-F31 HydrophobicContact CD1-CZ 3.45Å; I29-F31 VanDerWaalsContact CD1-CZ 3.45Å; I29-F31 HydrophobicContact CG1-CD2 4.4Å; I29-F31 HydrophobicContact CG1-CE2 3.85Å; I29-F31 HydrophobicContact CG1-CZ 4.1Å; I29-F31 HydrophobicContact CG2-CE2 4.16Å; I29-V38 HydrophobicContact CD1-CG1 3.65Å; I29-V38 HydrophobicContact CG1-CG1 3.76Å; I29-C39 WeakPolarHBondContact CA-O 3.49Å; I29-L40 HydrophobicContact CB-CD2 3.75Å; I29-L40 HydrophobicContact CD1-CD2 4.02Å; I29-L40 HydrophobicContact CG1-CD2 3.85Å; I29-L40 HydrophobicContact CG1-CG 4.44Å; I29-H527 HydrophobicContact CG2-CB 3.38Å; I29-F593 HydrophobicContact CD1-CB 3.91Å; I29-F593 HydrophobicContact CD1-CD1 3.89Å; I29-F593 HydrophobicContact CD1-CD2 3.6Å; I29-F593 HydrophobicContact CD1-CE1 4.29Å; I29-F593 HydrophobicContact CD1-CE2 4.01Å; I29-F593 HydrophobicContact CD1-CG 3.51Å; I29-F593 HydrophobicContact CD1-CZ 4.33Å; I29-F593 HydrophobicContact CG2-CD1 4.37Å |
| 30 | V | 84.4 | Confident | 68.3 | Low | 30 Ų | 30 | 52.3 Ų | 52.3 | 18% | 0.182 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 133.6 | 175.8 | 177.3 | 0 | 0 | 0 | 0 | 108.4 | C39 Y41 V89 F91 | V30-C39 PolarHBondContact N-O 3.44Å; V30-C39 PolarHBondContact O-N 3.36Å; V30-Y41 HydrophobicContact CG2-CE1 3.91Å; V30-V89 WeakPolarHBondContact CG2-O 3.24Å; V30-F91 HydrophobicContact CB-CE2 4.45Å; V30-F91 HydrophobicContact CG1-CD2 3.67Å; V30-F91 HydrophobicContact CG1-CE2 3.85Å |
| 31 | F | 80.5 | Confident | 70.8 | Confident | 17 Ų | 17 | 45.9 Ų | 45.9 | 8% | 0.075 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 143.3 | 176.2 | -62.3 | -97.9 | 0 | 0 | 0 | 108.7 | I29 V38 F91 Y529 L591 L635 | I29-F31 HydrophobicContact CD1-CE1 4.2Å; I29-F31 HydrophobicContact CD1-CE2 3.7Å; I29-F31 HydrophobicContact CD1-CZ 3.45Å; I29-F31 VanDerWaalsContact CD1-CZ 3.45Å; I29-F31 HydrophobicContact CG1-CD2 4.4Å; I29-F31 HydrophobicContact CG1-CE2 3.85Å; I29-F31 HydrophobicContact CG1-CZ 4.1Å; I29-F31 HydrophobicContact CG2-CE2 4.16Å; F31-V38 HydrophobicContact CD1-CG2 3.56Å; F31-V38 HydrophobicContact CE1-CG2 3.7Å; F31-V38 HydrophobicContact CG-CG2 4.44Å; F31-F91 WeakPolarHBondContact O-CD2 3.42Å; F31-Y529 HydrophobicContact CB-CD1 4.41Å; F31-Y529 HydrophobicContact CB-CD2 3.86Å; F31-Y529 HydrophobicContact CB-CE2 4.02Å; F31-Y529 HydrophobicContact CB-CG 4.09Å; F31-Y529 HydrophobicContact CD1-CG 4.42Å; F31-Y529 AromaticContact CD2-CD2 3.92Å; F31-Y529 HydrophobicContact CD2-CD2 3.92Å; F31-Y529 AromaticContact CD2-CG 3.93Å; F31-Y529 HydrophobicContact CD2-CG 3.93Å; F31-Y529 HydrophobicContact CG-CD1 4.39Å; F31-Y529 HydrophobicContact CG-CD2 4.01Å; F31-Y529 AromaticContact CG-CG 3.89Å; F31-Y529 HydrophobicContact CG-CG 3.89Å; F31-L591 HydrophobicContact CD1-CD1 3.82Å; F31-L591 HydrophobicContact CE1-CB 4.03Å; F31-L591 HydrophobicContact CE1-CD1 3.6Å; F31-L591 HydrophobicContact CE1-CG 4.47Å; F31-L591 HydrophobicContact CZ-CB 4.32Å; F31-L635 HydrophobicContact CE1-CD1 4.23Å; F31-L635 HydrophobicContact CZ-CD1 4.34Å |
| 32 | S | 80.2 | Confident | 73.2 | Confident | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.007 | 21% | 0.21 | C | C | . | . | trans | -74.8 | 164.1 | 167.3 | 67.1 | 0 | 0 | 0 | 0 | 110.9 | S34 S35 T37 F91 Q100 | S32-S34 PolarHBondContact O-N 3.29Å; S32-S34 VanDerWaalsContact O-N 3.16Å; S32-S34 PolarHBondContact OG-OG 3.3Å; S32-S35 WeakPolarHBondContact O-CA 3.48Å; S32-S35 PolarHBondContact O-N 3.13Å; S32-T37 WeakPolarHBondContact CB-OG1 3.48Å; S32-T37 PolarHBondContact N-O 2.95Å; S32-T37 PolarHBondContact OG-N 2.87Å; S32-T37 PolarHBondContact OG-O 2.89Å; S32-T37 PolarHBondContact OG-OG1 3.35Å; S32-F91 VanDerWaalsContact CA-CD2 3.48Å; S32-Q100 VanDerWaalsContact CB-NE2 3.31Å; S32-Q100 PolarHBondContact OG-NE2 3.49Å; S32-Q100 VanDerWaalsContact OG-NE2 3.15Å | ||
| 33 | S | 69.1 | Low | 75.6 | Confident | 46 Ų | 46 | 36 Ų | 36 | 32% | 0.322 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -25.4 | -177.2 | 61.1 | 0 | 0 | 0 | 0 | 113.9 | S35 | S33-S35 VanDerWaalsContact C-N 3.34Š|
| 34 | S | 68.6 | Low | 77.8 | Confident | 41 Ų | 41 | 32.6 Ų | 32.6 | 29% | 0.287 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -4.6 | 173.4 | 57.4 | 0 | 0 | 0 | 0 | 113.5 | S32 A36 Q100 | S32-S34 PolarHBondContact O-N 3.29Å; S32-S34 VanDerWaalsContact O-N 3.16Å; S32-S34 PolarHBondContact OG-OG 3.3Å; S34-A36 PolarHBondContact O-N 3.44Å; S34-Q100 PolarHBondContact OG-NE2 3.05Å |
| 35 | S | 71.7 | Confident | 79.9 | Confident | 16 Ų | 16 | 23.4 Ų | 23.4 | 11% | 0.112 | 14% | 0.137 | C | C | . | . | S | Bend | trans | 56.5 | -1.6 | -169.3 | 64.8 | 0 | 0 | 0 | 0 | 116.6 | S32 S33 T37 | S32-S35 WeakPolarHBondContact O-CA 3.48Å; S32-S35 PolarHBondContact O-N 3.13Å; S33-S35 VanDerWaalsContact C-N 3.34Å; S35-T37 PolarHBondContact O-N 2.67Å |
| 36 | A | 76.7 | Confident | 81.8 | Confident | 33 Ų | 33 | 22.4 Ų | 22.4 | 27% | 0.273 | 13% | 0.132 | S | C | . | . | S | Bend | trans | -77.6 | -0.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | S34 D51 | S34-A36 PolarHBondContact O-N 3.44Å; A36-D51 HydrophobicContact CB-CB 4.15Å; A36-D51 WeakPolarHBondContact O-CB 3.48Å; A36-D51 PolarHBondContact O-N 2.88Å |
| 37 | T | 81.8 | Confident | 83.1 | Confident | 6 Ų | 6 | 19.2 Ų | 19.2 | 4% | 0.037 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 140.5 | 172.1 | 46.8 | 0 | 0 | 0 | 0 | 109.6 | S32 S35 F49 R50 Q100 L122 | S32-T37 WeakPolarHBondContact CB-OG1 3.48Å; S32-T37 PolarHBondContact N-O 2.95Å; S32-T37 PolarHBondContact OG-N 2.87Å; S32-T37 PolarHBondContact OG-O 2.89Å; S32-T37 PolarHBondContact OG-OG1 3.35Å; S35-T37 PolarHBondContact O-N 2.67Å; T37-F49 WeakPolarHBondContact CA-O 3.21Å; T37-R50 HydrophobicContact CG2-CB 4.21Å; T37-R50 HydrophobicContact CG2-CG 4.01Å; T37-Q100 PolarHBondContact OG1-OE1 2.9Å; T37-L122 HydrophobicContact CG2-CD1 4.2Å |
| 38 | V | 85.5 | Confident | 83.7 | Confident | 5 Ų | 5 | 18.9 Ų | 18.9 | 3% | 0.03 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 130.2 | -175.5 | 169 | 0 | 0 | 0 | 0 | 107.9 | I29 F31 C48 F49 W55 | I29-V38 HydrophobicContact CD1-CG1 3.65Å; I29-V38 HydrophobicContact CG1-CG1 3.76Å; F31-V38 HydrophobicContact CD1-CG2 3.56Å; F31-V38 HydrophobicContact CE1-CG2 3.7Å; F31-V38 HydrophobicContact CG-CG2 4.44Å; V38-C48 WeakPolarHBondContact O-CA 3.31Å; V38-F49 PolarHBondContact N-O 3.2Å; V38-F49 PolarHBondContact O-N 3.36Å; V38-W55 HydrophobicContact CB-CE3 4.5Å; V38-W55 HydrophobicContact CB-CZ3 3.94Å; V38-W55 HydrophobicContact CG2-CE3 4.4Å; V38-W55 HydrophobicContact CG2-CH2 3.84Å; V38-W55 HydrophobicContact CG2-CZ3 3.51Å |
| 39 | C | 89.4 | Confident | 83.9 | Confident | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 130.3 | 171.8 | -64.3 | 0 | 0 | 0 | 0 | 110.2 | I29 V30 L46 E47 C48 F91 | I29-C39 WeakPolarHBondContact CA-O 3.49Å; V30-C39 PolarHBondContact N-O 3.44Å; V30-C39 PolarHBondContact O-N 3.36Å; C39-L46 HydrophobicContact CB-CD1 3.91Å; C39-E47 CarbonylContact C-O 3.55Å; C39-E47 WeakPolarHBondContact CA-O 3.47Å; C39-C48 HydrophobicContact CB-CB 4.22Å; C39-C48 WeakPolarHBondContact CB-SG 3.46Å; C39-C48 WeakPolarHBondContact SG-CB 3.48Å; C39-C48 CovalentContact SG-SG 2.05Å; C39-C48 PolarHBondContact SG-SG 3.4Å; C39-F91 HydrophobicContact CB-CZ 4.31Å; C39-F91 VanDerWaalsContact SG-CZ 3.53Å |
| 40 | L | 89 | Confident | 83.8 | Confident | 1 Ų | 1 | 21.5 Ų | 21.5 | 1% | 0.005 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 135.9 | 178.8 | -76.8 | 164.3 | 0 | 0 | 0 | 109.5 | V12 F14 Q28 I29 L46 E47 F49 F593 | V12-L40 HydrophobicContact CG1-CD1 4.1Å; F14-L40 HydrophobicContact CD2-CB 4.03Å; F14-L40 HydrophobicContact CE2-CB 4.07Å; Q28-L40 WeakPolarHBondContact O-CA 3.42Å; I29-L40 HydrophobicContact CB-CD2 3.75Å; I29-L40 HydrophobicContact CD1-CD2 4.02Å; I29-L40 HydrophobicContact CG1-CD2 3.85Å; I29-L40 HydrophobicContact CG1-CG 4.44Å; L40-L46 CarbonylContact O-C 3.48Å; L40-L46 WeakPolarHBondContact O-CA 3.39Å; L40-E47 PolarHBondContact N-O 3.38Å; L40-E47 PolarHBondContact O-N 2.96Å; L40-F49 HydrophobicContact CB-CE2 4.46Å; L40-F49 HydrophobicContact CD1-CD2 4.27Å; L40-F49 HydrophobicContact CD1-CE2 3.91Å; L40-F593 HydrophobicContact CD1-CE2 4.06Å; L40-F593 HydrophobicContact CD1-CZ 3.62Å; L40-F593 HydrophobicContact CD2-CD1 4.32Å; L40-F593 HydrophobicContact CD2-CE1 3.4Å; L40-F593 VanDerWaalsContact CD2-CE1 3.4Å; L40-F593 HydrophobicContact CD2-CE2 4.06Å; L40-F593 HydrophobicContact CD2-CZ 3.23Å; L40-F593 HydrophobicContact CG-CZ 4.03Å |
| 41 | Y | 90.5 | Very high | 83.3 | Confident | 4 Ų | 4 | 24.5 Ų | 24.5 | 2% | 0.016 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 151 | 175.3 | 62.5 | -82.1 | 0 | 0 | 0 | 113.6 | T27 Q28 V30 K45 I86 V89 | T27-Y41 CarbonylContact C-O 3.55Å; T27-Y41 WeakPolarHBondContact CA-O 3.34Å; Q28-Y41 HydrophobicContact CB-CD1 4.17Å; Q28-Y41 HydrophobicContact CB-CD2 4.12Å; Q28-Y41 HydrophobicContact CB-CE1 3.71Å; Q28-Y41 HydrophobicContact CB-CE2 3.65Å; Q28-Y41 HydrophobicContact CB-CG 4.36Å; Q28-Y41 VanDerWaalsContact CB-CZ 3.43Å; Q28-Y41 HydrophobicContact CG-CE2 4.12Å; Q28-Y41 PolarHBondContact N-O 2.95Å; Q28-Y41 PolarHBondContact O-N 3.44Å; Q28-Y41 PolarHBondContact OE1-OH 3.39Å; V30-Y41 HydrophobicContact CG2-CE1 3.91Å; Y41-K45 CarbonylContact C-O 3.59Å; Y41-K45 WeakPolarHBondContact CA-O 3.49Å; Y41-K45 WeakPolarHBondContact CB-O 3.5Å; Y41-I86 HydrophobicContact CD2-CB 4.43Å; Y41-I86 HydrophobicContact CD2-CG2 3.67Å; Y41-I86 HydrophobicContact CE2-CG2 4.15Å; Y41-I86 HydrophobicContact CG-CG2 4.31Å; Y41-V89 HydrophobicContact CD1-CB 3.9Å; Y41-V89 HydrophobicContact CD1-CG2 3.59Å; Y41-V89 HydrophobicContact CD2-CG2 4.06Å; Y41-V89 HydrophobicContact CE1-CB 3.56Å; Y41-V89 HydrophobicContact CE1-CG2 3.64Å; Y41-V89 HydrophobicContact CE2-CG2 4.12Å; Y41-V89 HydrophobicContact CG-CG2 3.81Å; Y41-V89 PolarHBondContact OH-N 2.94Å |
| 42 | D | 88.1 | Confident | 82.5 | Confident | 5 Ų | 5 | 25.5 Ų | 25.5 | 3% | 0.027 | 14% | 0.139 | C | C | . | . | trans | -113.2 | -163.3 | 157.4 | 67.6 | 22.5 | 0 | 0 | 0 | 109.4 | F14 T27 H44 K45 I86 | F14-D42 HydrophobicContact CE1-CB 4.43Å; T27-D42 HydrophobicContact CG2-CB 4.49Å; D42-H44 PolarHBondContact O-N 2.9Å; D42-H44 PolarHBondContact OD1-N 3.49Å; D42-K45 PolarHBondContact N-O 2.77Å; D42-K45 PolarHBondContact OD1-N 3.21Å; D42-I86 WeakPolarHBondContact O-CB 3.4Å | ||
| 43 | I | 88.4 | Confident | 81.4 | Confident | 43 Ų | 43 | 31.3 Ų | 31.3 | 22% | 0.221 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -70.4 | -15 | -179.4 | 54.8 | 167.1 | 0 | 0 | 0 | 114.1 | N25 H85 I86 | N25-I43 WeakPolarHBondContact OD1-CD1 3.16Å; I43-H85 HydrophobicContact CB-CB 4.19Å; I43-H85 CarbonylContact O-C 3.54Å; I43-H85 VanDerWaalsContact O-CA 3.28Å; I43-H85 WeakPolarHBondContact O-CA 3.39Å; I43-I86 PolarHBondContact O-N 3.16Å |
| 44 | H | 86.6 | Confident | 81.2 | Confident | 28 Ų | 28 | 35.9 Ų | 35.9 | 13% | 0.13 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -119.5 | -18.8 | -174.1 | -59 | -49.9 | 0 | 0 | 0 | 114.1 | F17 D42 P63 | F17-H44 HydrophobicContact CD2-CB 4.05Å; F17-H44 HydrophobicContact CE2-CB 4.29Å; D42-H44 PolarHBondContact O-N 2.9Å; D42-H44 PolarHBondContact OD1-N 3.49Å; H44-P63 VanDerWaalsContact O-CD 3.3Å; H44-P63 WeakPolarHBondContact O-CD 3.47Å |
| 45 | K | 88.8 | Confident | 81.5 | Confident | 4 Ų | 4 | 34.7 Ų | 34.7 | 2% | 0.017 | 19% | 0.187 | C | C | . | . | trans | -145.9 | 140.7 | -167.2 | 179.3 | -176 | 176.4 | -145.2 | 0 | 112 | F14 S15 Y41 D42 E47 T60 I62 | F14-K45 HydrophobicContact CE1-CD 4.26Å; F14-K45 HydrophobicContact CE2-CD 4.31Å; F14-K45 HydrophobicContact CE2-CG 4.35Å; F14-K45 HydrophobicContact CZ-CB 4.15Å; F14-K45 HydrophobicContact CZ-CD 3.93Å; F14-K45 HydrophobicContact CZ-CG 4Å; S15-K45 PolarHBondContact O-NZ 3.5Å; S15-K45 PolarHBondContact OG-NZ 2.92Å; Y41-K45 CarbonylContact C-O 3.59Å; Y41-K45 WeakPolarHBondContact CA-O 3.49Å; Y41-K45 WeakPolarHBondContact CB-O 3.5Å; D42-K45 PolarHBondContact N-O 2.77Å; D42-K45 PolarHBondContact OD1-N 3.21Å; K45-E47 WeakPolarHBondContact CE-OE1 3.3Å; K45-E47 HydrophobicContact CG-CG 4.4Å; K45-E47 IonicContact NZ-OE1 3.96Å; K45-E47 PolarHBondContact NZ-OE1 2.99Å; K45-E47 IonicContact NZ-OE2 2.84Å; K45-E47 PolarHBondContact NZ-OE2 3.47Å; K45-T60 HydrophobicContact CD-CG2 4.49Å; K45-T60 HydrophobicContact CG-CG2 4.19Å; K45-I62 HydrophobicContact CB-CG1 4.31Å; K45-I62 HydrophobicContact CG-CG1 4.02Å | ||
| 46 | L | 91.4 | Very high | 81.9 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 139.4 | 172 | 169.4 | 68.2 | 0 | 0 | 0 | 109.4 | C39 L40 F59 T60 W61 I86 V89 L102 | C39-L46 HydrophobicContact CB-CD1 3.91Å; L40-L46 CarbonylContact O-C 3.48Å; L40-L46 WeakPolarHBondContact O-CA 3.39Å; L46-F59 HydrophobicContact CD2-CE2 4.2Å; L46-F59 HydrophobicContact CD2-CZ 4.48Å; L46-T60 CarbonylContact O-C 3.59Å; L46-T60 WeakPolarHBondContact O-CA 3.49Å; L46-W61 HydrophobicContact CB-CB 4.26Å; L46-W61 HydrophobicContact CB-CE3 3.91Å; L46-W61 HydrophobicContact CD2-CB 4.33Å; L46-W61 HydrophobicContact CD2-CD2 4.42Å; L46-W61 HydrophobicContact CD2-CE3 3.67Å; L46-W61 HydrophobicContact CD2-CZ3 4.37Å; L46-W61 HydrophobicContact CG-CE3 4.44Å; L46-W61 PolarHBondContact N-O 2.99Å; L46-W61 PolarHBondContact O-N 3.01Å; L46-I86 HydrophobicContact CB-CD1 4.2Å; L46-V89 HydrophobicContact CD1-CG1 4.36Å; L46-V89 HydrophobicContact CD1-CG2 4.34Å; L46-L102 HydrophobicContact CD2-CD2 3.87Å |
| 47 | E | 90.2 | Very high | 82.3 | Confident | 16 Ų | 16 | 39.3 Ų | 39.3 | 8% | 0.075 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 130.8 | 169.7 | -63.7 | -169.4 | 137.6 | 0 | 0 | 110 | F14 C39 L40 K45 F49 F59 T60 | F14-E47 HydrophobicContact CD2-CB 4.27Å; F14-E47 HydrophobicContact CD2-CG 4.14Å; F14-E47 WeakPolarHBondContact CD2-OE2 3.21Å; F14-E47 HydrophobicContact CE2-CB 4.17Å; F14-E47 HydrophobicContact CE2-CG 3.94Å; C39-E47 CarbonylContact C-O 3.55Å; C39-E47 WeakPolarHBondContact CA-O 3.47Å; L40-E47 PolarHBondContact N-O 3.38Å; L40-E47 PolarHBondContact O-N 2.96Å; K45-E47 WeakPolarHBondContact CE-OE1 3.3Å; K45-E47 HydrophobicContact CG-CG 4.4Å; K45-E47 IonicContact NZ-OE1 3.96Å; K45-E47 PolarHBondContact NZ-OE1 2.99Å; K45-E47 IonicContact NZ-OE2 2.84Å; K45-E47 PolarHBondContact NZ-OE2 3.47Å; E47-F49 HydrophobicContact CB-CD2 4.5Å; E47-F49 HydrophobicContact CB-CE2 3.45Å; E47-F49 VanDerWaalsContact CB-CE2 3.45Å; E47-F49 HydrophobicContact CB-CZ 3.67Å; E47-F59 WeakPolarHBondContact CA-O 3.46Å; E47-T60 HydrophobicContact CG-CG2 3.8Å; E47-T60 WeakPolarHBondContact CG-OG1 3.32Å; E47-T60 WeakPolarHBondContact OE1-CG2 3.14Å; E47-T60 PolarHBondContact OE1-OG1 3.48Å |
| 48 | C | 89.2 | Confident | 82.5 | Confident | 3 Ų | 3 | 42 Ų | 42 | 2% | 0.02 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 139 | 178 | -68 | 0 | 0 | 0 | 0 | 111.1 | V38 C39 Q58 F59 | V38-C48 WeakPolarHBondContact O-CA 3.31Å; C39-C48 HydrophobicContact CB-CB 4.22Å; C39-C48 WeakPolarHBondContact CB-SG 3.46Å; C39-C48 WeakPolarHBondContact SG-CB 3.48Å; C39-C48 CovalentContact SG-SG 2.05Å; C39-C48 PolarHBondContact SG-SG 3.4Å; C48-Q58 WeakPolarHBondContact O-CB 3.21Å; C48-Q58 PolarHBondContact O-N 3.42Å; C48-F59 HydrophobicContact CB-CD1 4.09Å; C48-F59 HydrophobicContact CB-CE1 3.65Å; C48-F59 HydrophobicContact CB-CZ 4.03Å; C48-F59 PolarHBondContact N-O 2.96Å |
| 49 | F | 86.3 | Confident | 82.6 | Confident | 13 Ų | 13 | 42.2 Ų | 42.2 | 6% | 0.057 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 148.8 | -174.6 | -56.5 | -92.3 | 0 | 0 | 0 | 109.2 | V12 T37 V38 L40 E47 W55 S56 H57 | V12-F49 HydrophobicContact CG1-CD1 4.12Å; V12-F49 HydrophobicContact CG1-CD2 4.39Å; V12-F49 HydrophobicContact CG1-CE1 3.45Å; V12-F49 VanDerWaalsContact CG1-CE1 3.45Å; V12-F49 HydrophobicContact CG1-CE2 3.77Å; V12-F49 HydrophobicContact CG1-CZ 3.26Å; V12-F49 HydrophobicContact CG2-CD1 4.26Å; V12-F49 HydrophobicContact CG2-CE1 4.36Å; T37-F49 WeakPolarHBondContact CA-O 3.21Å; V38-F49 PolarHBondContact N-O 3.2Å; V38-F49 PolarHBondContact O-N 3.36Å; L40-F49 HydrophobicContact CB-CE2 4.46Å; L40-F49 HydrophobicContact CD1-CD2 4.27Å; L40-F49 HydrophobicContact CD1-CE2 3.91Å; E47-F49 HydrophobicContact CB-CD2 4.5Å; E47-F49 HydrophobicContact CB-CE2 3.45Å; E47-F49 VanDerWaalsContact CB-CE2 3.45Å; E47-F49 HydrophobicContact CB-CZ 3.67Å; F49-W55 HydrophobicContact CB-CE3 4.18Å; F49-S56 WeakPolarHBondContact CA-O 3.41Å; F49-H57 HydrophobicContact CD1-CB 4.01Å; F49-H57 HydrophobicContact CE1-CB 3.92Å; F49-H57 AromaticContact CE1-CD2 3.67Å; F49-H57 AromaticContact CZ-CD2 3.93Å |
| 50 | R | 82.8 | Confident | 82.6 | Confident | 139 Ų | 139 | 44.4 Ų | 44.4 | 53% | 0.525 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 139.6 | -180 | -175 | 171.8 | -177.5 | -178.5 | 1.1 | 110.4 | T37 S52 S56 Q58 | T37-R50 HydrophobicContact CG2-CB 4.21Å; T37-R50 HydrophobicContact CG2-CG 4.01Å; R50-S52 PolarHBondContact O-N 2.56Å; R50-S56 PolarHBondContact N-O 2.84Å; R50-S56 PolarHBondContact O-N 3.36Å; R50-S56 PolarHBondContact O-OG 2.97Å; R50-Q58 HydrophobicContact CB-CG 3.79Å |
| 51 | D | 73.9 | Confident | 82.7 | Confident | 93 Ų | 93 | 44.3 Ų | 44.3 | 50% | 0.497 | 23% | 0.233 | S | C | . | . | trans | -58.8 | 121.4 | 177.9 | -173.7 | 16 | 0 | 0 | 0 | 110.9 | A36 W55 | A36-D51 HydrophobicContact CB-CB 4.15Å; A36-D51 WeakPolarHBondContact O-CB 3.48Å; A36-D51 PolarHBondContact O-N 2.88Å; D51-W55 HydrophobicContact CB-CH2 3.9Å; D51-W55 HydrophobicContact CB-CZ2 4.21Å; D51-W55 HydrophobicContact CB-CZ3 4.24Å | ||
| 52 | S | 64.5 | Low | 82.6 | Confident | 39 Ų | 39 | 45.4 Ų | 45.4 | 27% | 0.273 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -170.4 | 164.3 | -179 | 74.2 | 0 | 0 | 0 | 0 | 105.7 | R50 N54 W55 S56 | R50-S52 PolarHBondContact O-N 2.56Å; S52-N54 PolarHBondContact O-N 2.85Å; S52-W55 PolarHBondContact O-N 2.76Å; S52-S56 WeakPolarHBondContact CB-OG 3.3Å; S52-S56 VanDerWaalsContact OG-CB 3.23Å; S52-S56 WeakPolarHBondContact OG-CB 3.34Å; S52-S56 PolarHBondContact OG-N 2.91Å; S52-S56 PolarHBondContact OG-OG 3.07Å |
| 53 | P | 58 | Low | 82.5 | Confident | 123 Ų | 123 | 45.3 Ų | 45.3 | 80% | 0.799 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -13.5 | -163.4 | 20.8 | -33.1 | 0 | 0 | 0 | 116.4 | ||
| 54 | N | 64.9 | Low | 82.2 | Confident | 141 Ų | 141 | 44.1 Ų | 44.1 | 75% | 0.754 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -129.4 | 23.5 | 173.9 | -69.1 | -35.4 | 0 | 0 | 0 | 113.1 | S52 | S52-N54 PolarHBondContact O-N 2.85Š|
| 55 | W | 74.3 | Confident | 82.1 | Confident | 16 Ų | 16 | 48 Ų | 48 | 6% | 0.061 | 25% | 0.254 | C | S | . | . | trans | 52.9 | 65.5 | -177.5 | -75.9 | 83.4 | 0 | 0 | 0 | 114.4 | V12 V38 F49 D51 S52 H57 L635 | V12-W55 HydrophobicContact CG2-CB 4.28Å; V38-W55 HydrophobicContact CB-CE3 4.5Å; V38-W55 HydrophobicContact CB-CZ3 3.94Å; V38-W55 HydrophobicContact CG2-CE3 4.4Å; V38-W55 HydrophobicContact CG2-CH2 3.84Å; V38-W55 HydrophobicContact CG2-CZ3 3.51Å; F49-W55 HydrophobicContact CB-CE3 4.18Å; D51-W55 HydrophobicContact CB-CH2 3.9Å; D51-W55 HydrophobicContact CB-CZ2 4.21Å; D51-W55 HydrophobicContact CB-CZ3 4.24Å; S52-W55 PolarHBondContact O-N 2.76Å; W55-H57 PolarHBondContact O-N 2.67Å; W55-L635 HydrophobicContact CD2-CD2 4.12Å; W55-L635 HydrophobicContact CH2-CD2 3.96Å; W55-L635 HydrophobicContact CZ2-CD2 3.32Å | ||
| 56 | S | 79 | Confident | 81.7 | Confident | 52 Ų | 52 | 51.8 Ų | 51.8 | 36% | 0.364 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -51.1 | 121.3 | 177.5 | 46.4 | 0 | 0 | 0 | 0 | 113.2 | F49 R50 S52 | F49-S56 WeakPolarHBondContact CA-O 3.41Å; R50-S56 PolarHBondContact N-O 2.84Å; R50-S56 PolarHBondContact O-N 3.36Å; R50-S56 PolarHBondContact O-OG 2.97Å; S52-S56 WeakPolarHBondContact CB-OG 3.3Å; S52-S56 VanDerWaalsContact OG-CB 3.23Å; S52-S56 WeakPolarHBondContact OG-CB 3.34Å; S52-S56 PolarHBondContact OG-N 2.91Å; S52-S56 PolarHBondContact OG-OG 3.07Å |
| 57 | H | 85.1 | Confident | 81.3 | Confident | 95 Ų | 95 | 52.1 Ų | 52.1 | 44% | 0.44 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.7 | 142.2 | 167.6 | 178.5 | -98.1 | 0 | 0 | 0 | 111.4 | F49 W55 F59 T60 | F49-H57 HydrophobicContact CD1-CB 4.01Å; F49-H57 HydrophobicContact CE1-CB 3.92Å; F49-H57 AromaticContact CE1-CD2 3.67Å; F49-H57 AromaticContact CZ-CD2 3.93Å; W55-H57 PolarHBondContact O-N 2.67Å; H57-F59 PolarHBondContact NE2-O 2.89Å; H57-T60 PolarHBondContact CE1-OG1 3.13Å; H57-T60 PolarHBondContact NE2-N 3.2Å; H57-T60 PolarHBondContact NE2-OG1 3.14Å |
| 58 | Q | 85.9 | Confident | 80.7 | Confident | 61 Ų | 61 | 55.4 Ų | 55.4 | 29% | 0.285 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | -53.6 | 176.5 | -64.3 | -110.3 | -106.6 | 0 | 0 | 110.9 | C48 R50 | C48-Q58 WeakPolarHBondContact O-CB 3.21Å; C48-Q58 PolarHBondContact O-N 3.42Å; R50-Q58 HydrophobicContact CB-CG 3.79Å |
| 59 | F | 88.8 | Confident | 80.2 | Confident | 11 Ų | 11 | 63.1 Ų | 63.1 | 5% | 0.048 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.8 | 157.6 | 176.1 | 69.2 | -85.7 | 0 | 0 | 0 | 111.3 | L46 E47 C48 H57 W61 L102 L122 A125 | L46-F59 HydrophobicContact CD2-CE2 4.2Å; L46-F59 HydrophobicContact CD2-CZ 4.48Å; E47-F59 WeakPolarHBondContact CA-O 3.46Å; C48-F59 HydrophobicContact CB-CD1 4.09Å; C48-F59 HydrophobicContact CB-CE1 3.65Å; C48-F59 HydrophobicContact CB-CZ 4.03Å; C48-F59 PolarHBondContact N-O 2.96Å; H57-F59 PolarHBondContact NE2-O 2.89Å; F59-W61 HydrophobicContact CD2-CB 4.06Å; F59-W61 HydrophobicContact CE2-CB 3.92Å; F59-L102 HydrophobicContact CZ-CD2 4.34Å; F59-L122 VanDerWaalsContact CD1-O 3.31Å; F59-L122 WeakPolarHBondContact CD1-O 3.32Å; F59-L122 HydrophobicContact CE1-CD2 4.21Å; F59-A125 HydrophobicContact CB-CB 4.22Å; F59-A125 HydrophobicContact CD2-CB 3.81Å; F59-A125 HydrophobicContact CG-CB 4.31Å |
| 60 | T | 88.6 | Confident | 79.8 | Confident | 45 Ų | 45 | 63.4 Ų | 63.4 | 28% | 0.276 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 142.5 | 163.6 | -58.5 | 0 | 0 | 0 | 0 | 107.4 | K45 L46 E47 H57 I62 | K45-T60 HydrophobicContact CD-CG2 4.49Å; K45-T60 HydrophobicContact CG-CG2 4.19Å; L46-T60 CarbonylContact O-C 3.59Å; L46-T60 WeakPolarHBondContact O-CA 3.49Å; E47-T60 HydrophobicContact CG-CG2 3.8Å; E47-T60 WeakPolarHBondContact CG-OG1 3.32Å; E47-T60 WeakPolarHBondContact OE1-CG2 3.14Å; E47-T60 PolarHBondContact OE1-OG1 3.48Å; H57-T60 PolarHBondContact CE1-OG1 3.13Å; H57-T60 PolarHBondContact NE2-N 3.2Å; H57-T60 PolarHBondContact NE2-OG1 3.14Å; T60-I62 HydrophobicContact CG2-CD1 4.26Å; T60-I62 HydrophobicContact CG2-CG1 4.15Å |
| 61 | W | 90.8 | Very high | 79.5 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 127.8 | 174.9 | 178.8 | 66.9 | 0 | 0 | 0 | 109.8 | L46 F59 P63 D66 L67 I86 A104 L106 C117 F119 | L46-W61 HydrophobicContact CB-CB 4.26Å; L46-W61 HydrophobicContact CB-CE3 3.91Å; L46-W61 HydrophobicContact CD2-CB 4.33Å; L46-W61 HydrophobicContact CD2-CD2 4.42Å; L46-W61 HydrophobicContact CD2-CE3 3.67Å; L46-W61 HydrophobicContact CD2-CZ3 4.37Å; L46-W61 HydrophobicContact CG-CE3 4.44Å; L46-W61 PolarHBondContact N-O 2.99Å; L46-W61 PolarHBondContact O-N 3.01Å; F59-W61 HydrophobicContact CD2-CB 4.06Å; F59-W61 HydrophobicContact CE2-CB 3.92Å; W61-P63 HydrophobicContact CD2-CG 4.25Å; W61-P63 HydrophobicContact CE3-CG 3.99Å; W61-P63 HydrophobicContact CH2-CB 4.43Å; W61-P63 HydrophobicContact CH2-CG 3.77Å; W61-P63 HydrophobicContact CZ2-CB 4.29Å; W61-P63 HydrophobicContact CZ2-CG 3.96Å; W61-P63 HydrophobicContact CZ3-CG 3.76Å; W61-D66 VanDerWaalsContact CA-OD2 3.29Å; W61-D66 WeakPolarHBondContact CA-OD2 3.45Å; W61-L67 HydrophobicContact CZ2-CD1 3.79Å; W61-L67 HydrophobicContact CZ2-CG 4.09Å; W61-I86 HydrophobicContact CE3-CD1 4.37Å; W61-I86 HydrophobicContact CZ3-CD1 4.25Å; W61-I86 HydrophobicContact CZ3-CG1 4.43Å; W61-A104 HydrophobicContact CH2-CB 4.03Å; W61-A104 HydrophobicContact CZ3-CB 3.69Å; W61-L106 HydrophobicContact CH2-CD1 4.08Å; W61-L106 HydrophobicContact CH2-CD2 3.8Å; W61-L106 HydrophobicContact CH2-CG 4.07Å; W61-L106 HydrophobicContact CZ2-CD1 4.4Å; W61-L106 HydrophobicContact CZ3-CD2 4.12Å; W61-C117 HydrophobicContact CH2-CB 4.02Å; W61-C117 HydrophobicContact CZ2-CB 4.2Å; W61-F119 HydrophobicContact CD2-CE1 4.4Å; W61-F119 AromaticContact CD2-CZ 3.74Å; W61-F119 HydrophobicContact CD2-CZ 3.74Å; W61-F119 AromaticContact CE2-CZ 3.63Å; W61-F119 HydrophobicContact CE3-CZ 4.1Å; W61-F119 HydrophobicContact CG-CE1 4.38Å; W61-F119 HydrophobicContact CG-CZ 4.17Å; W61-F119 HydrophobicContact CH2-CZ 4.16Å; W61-F119 AromaticContact CZ2-CZ 3.85Å; W61-F119 HydrophobicContact CZ2-CZ 3.85Å; W61-F119 HydrophobicContact CZ3-CZ 4.29Å |
| 62 | I | 88.9 | Confident | 79.6 | Confident | 26 Ų | 26 | 55.1 Ų | 55.1 | 13% | 0.133 | 29% | 0.288 | C | S | . | . | trans | -128.7 | 101.7 | -178.9 | -63 | 171.5 | 0 | 0 | 0 | 106.4 | K45 T60 V64 L65 D66 | K45-I62 HydrophobicContact CB-CG1 4.31Å; K45-I62 HydrophobicContact CG-CG1 4.02Å; T60-I62 HydrophobicContact CG2-CD1 4.26Å; T60-I62 HydrophobicContact CG2-CG1 4.15Å; I62-V64 VanDerWaalsContact C-N 3.26Å; I62-V64 PolarHBondContact O-N 3.15Å; I62-V64 VanDerWaalsContact O-N 3.12Å; I62-L65 HydrophobicContact CB-CB 4.41Å; I62-L65 HydrophobicContact CB-CD1 4.19Å; I62-L65 HydrophobicContact CB-CG 4.39Å; I62-L65 HydrophobicContact CD1-CD1 4.15Å; I62-L65 HydrophobicContact CG2-CB 4.32Å; I62-L65 HydrophobicContact CG2-CD1 3.94Å; I62-L65 HydrophobicContact CG2-CG 3.9Å; I62-L65 PolarHBondContact O-N 2.82Å; I62-D66 PolarHBondContact N-OD2 2.95Å; I62-D66 PolarHBondContact O-N 2.82Å | ||
| 63 | P | 86.2 | Confident | 80.1 | Confident | 4 Ų | 4 | 57.4 Ų | 57.4 | 3% | 0.026 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -54.5 | -38.3 | -170.3 | -28.7 | 35.1 | 0 | 0 | 0 | 114.8 | H44 W61 L65 L67 L71 I86 L106 | H44-P63 VanDerWaalsContact O-CD 3.3Å; H44-P63 WeakPolarHBondContact O-CD 3.47Å; W61-P63 HydrophobicContact CD2-CG 4.25Å; W61-P63 HydrophobicContact CE3-CG 3.99Å; W61-P63 HydrophobicContact CH2-CB 4.43Å; W61-P63 HydrophobicContact CH2-CG 3.77Å; W61-P63 HydrophobicContact CZ2-CB 4.29Å; W61-P63 HydrophobicContact CZ2-CG 3.96Å; W61-P63 HydrophobicContact CZ3-CG 3.76Å; P63-L65 PolarHBondContact O-N 2.9Å; P63-L67 WeakPolarHBondContact O-CA 3.37Å; P63-L67 WeakPolarHBondContact O-CB 3.5Å; P63-L67 PolarHBondContact O-N 3.44Å; P63-L71 WeakPolarHBondContact O-CD1 3.4Å; P63-I86 HydrophobicContact CG-CD1 4.14Å; P63-I86 HydrophobicContact CG-CG1 4.02Å; P63-L106 HydrophobicContact CB-CD1 3.68Å; P63-L106 HydrophobicContact CB-CD2 3.95Å; P63-L106 HydrophobicContact CB-CG 4.49Å; P63-L106 HydrophobicContact CG-CD1 4.13Å; P63-L106 HydrophobicContact CG-CD2 3.51Å; P63-L106 HydrophobicContact CG-CG 4.48Å |
| 64 | V | 82.5 | Confident | 80.8 | Confident | 17 Ų | 17 | 52.3 Ų | 52.3 | 10% | 0.103 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.6 | -22.5 | 178.4 | 175.3 | 0 | 0 | 0 | 0 | 112.8 | I62 L81 Y82 | I62-V64 VanDerWaalsContact C-N 3.26Å; I62-V64 PolarHBondContact O-N 3.15Å; I62-V64 VanDerWaalsContact O-N 3.12Å; V64-L81 HydrophobicContact CG1-CD2 3.97Å; V64-L81 HydrophobicContact CG1-CG 4.1Å; V64-Y82 HydrophobicContact CG1-CD1 4.17Å; V64-Y82 HydrophobicContact CG1-CE1 3.79Å |
| 65 | L | 83.4 | Confident | 81 | Confident | 110 Ų | 110 | 46.7 Ų | 46.7 | 58% | 0.576 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -102.8 | -53.8 | 176.4 | -59.7 | 177.4 | 0 | 0 | 0 | 111 | I62 P63 L67 K68 | I62-L65 HydrophobicContact CB-CB 4.41Å; I62-L65 HydrophobicContact CB-CD1 4.19Å; I62-L65 HydrophobicContact CB-CG 4.39Å; I62-L65 HydrophobicContact CD1-CD1 4.15Å; I62-L65 HydrophobicContact CG2-CB 4.32Å; I62-L65 HydrophobicContact CG2-CD1 3.94Å; I62-L65 HydrophobicContact CG2-CG 3.9Å; I62-L65 PolarHBondContact O-N 2.82Å; P63-L65 PolarHBondContact O-N 2.9Å; L65-L67 PolarHBondContact O-N 2.82Å; L65-K68 WeakPolarHBondContact O-CB 3.36Å; L65-K68 PolarHBondContact O-N 2.67Å |
| 66 | D | 82 | Confident | 80.7 | Confident | 84 Ų | 84 | 53.2 Ų | 53.2 | 45% | 0.449 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -77.4 | -22.5 | -169 | -61.4 | -42.1 | 0 | 0 | 0 | 113.8 | W61 I62 | W61-D66 VanDerWaalsContact CA-OD2 3.29Å; W61-D66 WeakPolarHBondContact CA-OD2 3.45Å; I62-D66 PolarHBondContact N-OD2 2.95Å; I62-D66 PolarHBondContact O-N 2.82Å |
| 67 | L | 81.1 | Confident | 80 | Confident | 6 Ų | 6 | 52.7 Ų | 52.7 | 3% | 0.031 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.5 | 17.3 | 173 | -58.4 | -172.5 | 0 | 0 | 0 | 112.4 | W61 P63 L65 Y69 L70 L71 L106 L115 C127 | W61-L67 HydrophobicContact CZ2-CD1 3.79Å; W61-L67 HydrophobicContact CZ2-CG 4.09Å; P63-L67 WeakPolarHBondContact O-CA 3.37Å; P63-L67 WeakPolarHBondContact O-CB 3.5Å; P63-L67 PolarHBondContact O-N 3.44Å; L65-L67 PolarHBondContact O-N 2.82Å; L67-Y69 VanDerWaalsContact C-N 3.35Å; L67-Y69 PolarHBondContact O-N 3.19Å; L67-L70 HydrophobicContact CB-CB 4.41Å; L67-L70 HydrophobicContact CD2-CD1 3.79Å; L67-L70 WeakPolarHBondContact O-CB 3.46Å; L67-L70 PolarHBondContact O-N 2.89Å; L67-L71 HydrophobicContact CB-CD1 4.14Å; L67-L71 HydrophobicContact CB-CG 4.08Å; L67-L71 WeakPolarHBondContact O-CG 3.35Å; L67-L71 PolarHBondContact O-N 3.12Å; L67-L106 HydrophobicContact CD1-CD1 3.79Å; L67-L115 HydrophobicContact CD1-CD2 3.71Å; L67-C127 HydrophobicContact CD2-CB 4.05Å |
| 68 | K | 79.2 | Confident | 78.9 | Confident | 85 Ų | 85 | 53 Ų | 53 | 37% | 0.37 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -51.2 | -49.5 | -169.6 | -169.2 | -176.7 | -178.8 | -68.4 | 0 | 113.2 | L65 L70 L71 D72 L81 | L65-K68 WeakPolarHBondContact O-CB 3.36Å; L65-K68 PolarHBondContact O-N 2.67Å; K68-L70 PolarHBondContact O-N 2.98Å; K68-L71 PolarHBondContact O-N 3.28Å; K68-D72 IonicContact NZ-OD1 3.39Å; K68-D72 IonicContact NZ-OD2 2.75Å; K68-D72 PolarHBondContact NZ-OD2 3.17Å; K68-D72 VanDerWaalsContact O-CB 3.31Å; K68-D72 WeakPolarHBondContact O-CB 3.31Å; K68-D72 PolarHBondContact O-N 2.56Å; K68-L81 HydrophobicContact CG-CD2 4.31Å |
| 69 | Y | 77.1 | Confident | 77.7 | Confident | 166 Ų | 166 | 56.3 Ų | 56.3 | 65% | 0.651 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -63.7 | -39.8 | 179.4 | -59.5 | -75.6 | 0 | 0 | 0 | 113.2 | L67 N73 | L67-Y69 VanDerWaalsContact C-N 3.35Å; L67-Y69 PolarHBondContact O-N 3.19Å; Y69-N73 PolarHBondContact O-N 3.34Å; Y69-N73 PolarHBondContact O-ND2 3.28Å |
| 70 | L | 78.1 | Confident | 76.9 | Confident | 19 Ų | 19 | 57.2 Ų | 57.2 | 10% | 0.099 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -67.5 | -37.7 | 177.3 | -71.2 | 161.2 | 0 | 0 | 0 | 111.8 | L67 K68 V74 P216 | L67-L70 HydrophobicContact CB-CB 4.41Å; L67-L70 HydrophobicContact CD2-CD1 3.79Å; L67-L70 WeakPolarHBondContact O-CB 3.46Å; L67-L70 PolarHBondContact O-N 2.89Å; K68-L70 PolarHBondContact O-N 2.98Å; L70-V74 WeakPolarHBondContact O-CG2 2.97Å; L70-P216 HydrophobicContact CD2-CB 4.27Å |
| 71 | L | 78.3 | Confident | 76.2 | Confident | 1 Ų | 1 | 55.5 Ų | 55.5 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -74 | -46.5 | 176 | -66.6 | 173 | 0 | 0 | 0 | 111.3 | P63 L67 K68 N73 V74 L75 L81 W84 L115 | P63-L71 WeakPolarHBondContact O-CD1 3.4Å; L67-L71 HydrophobicContact CB-CD1 4.14Å; L67-L71 HydrophobicContact CB-CG 4.08Å; L67-L71 WeakPolarHBondContact O-CG 3.35Å; L67-L71 PolarHBondContact O-N 3.12Å; K68-L71 PolarHBondContact O-N 3.28Å; L71-N73 PolarHBondContact O-N 3.22Å; L71-N73 VanDerWaalsContact O-N 3.1Å; L71-V74 PolarHBondContact O-N 3.37Å; L71-L75 HydrophobicContact CB-CD1 4.2Å; L71-L75 WeakPolarHBondContact O-CB 3.37Å; L71-L75 WeakPolarHBondContact O-CD1 3.14Å; L71-L75 WeakPolarHBondContact O-CG 3.45Å; L71-L75 PolarHBondContact O-N 3.21Å; L71-L81 HydrophobicContact CB-CD1 3.53Å; L71-L81 HydrophobicContact CD1-CD1 3.82Å; L71-L81 HydrophobicContact CG-CD1 4.33Å; L71-W84 HydrophobicContact CD2-CD2 3.94Å; L71-W84 HydrophobicContact CD2-CG 4.04Å; L71-W84 HydrophobicContact CD2-CZ2 4.49Å; L71-L115 HydrophobicContact CD2-CD2 4.3Å |
| 72 | D | 75.7 | Confident | 75.5 | Confident | 57 Ų | 57 | 60.8 Ų | 60.8 | 31% | 0.305 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -52.6 | -33.1 | 175.8 | -74.5 | -16.8 | 0 | 0 | 0 | 111.6 | K68 | K68-D72 IonicContact NZ-OD1 3.39Å; K68-D72 IonicContact NZ-OD2 2.75Å; K68-D72 PolarHBondContact NZ-OD2 3.17Å; K68-D72 VanDerWaalsContact O-CB 3.31Å; K68-D72 WeakPolarHBondContact O-CB 3.31Å; K68-D72 PolarHBondContact O-N 2.56Å |
| 73 | N | 74.1 | Confident | 75.2 | Confident | 87 Ų | 87 | 62 Ų | 62 | 47% | 0.465 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -11.2 | 175.7 | -78.9 | -35.3 | 0 | 0 | 0 | 115.5 | Y69 L71 D214 Q215 | Y69-N73 PolarHBondContact O-N 3.34Å; Y69-N73 PolarHBondContact O-ND2 3.28Å; L71-N73 PolarHBondContact O-N 3.22Å; L71-N73 VanDerWaalsContact O-N 3.1Å; N73-D214 PolarHBondContact ND2-O 3.18Å; N73-Q215 HydrophobicContact CB-CG 4.36Å |
| 74 | V | 73.9 | Confident | 75.3 | Confident | 15 Ų | 15 | 62 Ų | 62 | 9% | 0.091 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | -22 | 176.4 | 172.6 | 0 | 0 | 0 | 0 | 112.2 | L70 L71 W84 R113 L132 P216 | L70-V74 WeakPolarHBondContact O-CG2 2.97Å; L71-V74 PolarHBondContact O-N 3.37Å; V74-W84 HydrophobicContact CG1-CZ2 3.9Å; V74-R113 PolarHBondContact O-NH1 2.99Å; V74-L132 HydrophobicContact CG1-CD1 3.71Å; V74-L132 HydrophobicContact CG1-CD2 4.03Å; V74-L132 HydrophobicContact CG2-CD1 4.25Å; V74-L132 HydrophobicContact CG2-CD2 3.96Å; V74-P216 HydrophobicContact CG2-CG 3.4Å; V74-P216 VanDerWaalsContact CG2-CG 3.4Å |
| 75 | L | 68.9 | Low | 75.6 | Confident | 24 Ų | 24 | 63.9 Ų | 63.9 | 13% | 0.126 | 32% | 0.32 | C | S | . | . | trans | -82.2 | 131 | -169.2 | -74.2 | 167.1 | 0 | 0 | 0 | 112.6 | L71 S77 D80 L81 | L71-L75 HydrophobicContact CB-CD1 4.2Å; L71-L75 WeakPolarHBondContact O-CB 3.37Å; L71-L75 WeakPolarHBondContact O-CD1 3.14Å; L71-L75 WeakPolarHBondContact O-CG 3.45Å; L71-L75 PolarHBondContact O-N 3.21Å; L75-S77 VanDerWaalsContact C-N 3.28Å; L75-S77 WeakPolarHBondContact CB-O 3.24Å; L75-D80 HydrophobicContact CD2-CB 3.4Å; L75-D80 VanDerWaalsContact CD2-CB 3.4Å; L75-L81 HydrophobicContact CD1-CB 3.76Å; L75-L81 HydrophobicContact CD1-CD1 3.64Å; L75-L81 HydrophobicContact CD1-CG 4.31Å | ||
| 76 | E | 66.5 | Low | 76 | Confident | 153 Ų | 153 | 58.9 Ų | 58.9 | 72% | 0.715 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -77.9 | -15.9 | 171.1 | -68.7 | 170.6 | -150 | 0 | 0 | 112.3 | R113 | E76-R113 IonicContact OE1-CZ 2.91Å; E76-R113 IonicContact OE1-NH1 2.69Å; E76-R113 IonicContact OE1-NH2 3.55Å; E76-R113 PolarHBondContact OE1-NH2 3.33Å |
| 77 | S | 64.7 | Low | 76.3 | Confident | 41 Ų | 41 | 56.8 Ų | 56.8 | 29% | 0.287 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -145.8 | 144.5 | 173.1 | 80.2 | 0 | 0 | 0 | 0 | 111.3 | L75 D79 D80 | L75-S77 VanDerWaalsContact C-N 3.28Å; L75-S77 WeakPolarHBondContact CB-O 3.24Å; S77-D79 PolarHBondContact O-N 2.78Å; S77-D80 PolarHBondContact O-N 3.3Å; S77-D80 PolarHBondContact OG-N 3.41Å; S77-D80 PolarHBondContact OG-OD2 3.22Å |
| 78 | P | 61.6 | Low | 76.7 | Confident | 101 Ų | 101 | 59.9 Ų | 59.9 | 66% | 0.656 | 30% | 0.299 | S | S | * | . | G | 310 helix | trans | -68.9 | -21.6 | 179.3 | 28.2 | -35.1 | 0 | 0 | 0 | 113.4 | D80 L81 | P78-D80 VanDerWaalsContact C-N 3.33Å; P78-L81 WeakPolarHBondContact O-CB 3.44Å; P78-L81 PolarHBondContact O-N 2.81Å |
| 79 | D | 61.6 | Low | 77.4 | Confident | 131 Ų | 131 | 55.9 Ų | 55.9 | 70% | 0.701 | 28% | 0.282 | S | S | * | . | G | 310 helix | trans | -71.8 | -27.9 | 177 | -65.6 | -39.1 | 0 | 0 | 0 | 112 | S77 L81 | S77-D79 PolarHBondContact O-N 2.78Å; D79-L81 PolarHBondContact O-N 3.22Å; D79-L81 VanDerWaalsContact O-N 3.15Å |
| 80 | D | 72.7 | Confident | 78 | Confident | 29 Ų | 29 | 49.2 Ų | 49.2 | 16% | 0.155 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -66.9 | -8.4 | 175.7 | -87.1 | -54.9 | 0 | 0 | 0 | 113.8 | L75 S77 P78 Y82 N83 Q111 | L75-D80 HydrophobicContact CD2-CB 3.4Å; L75-D80 VanDerWaalsContact CD2-CB 3.4Å; S77-D80 PolarHBondContact O-N 3.3Å; S77-D80 PolarHBondContact OG-N 3.41Å; S77-D80 PolarHBondContact OG-OD2 3.22Å; P78-D80 VanDerWaalsContact C-N 3.33Å; D80-Y82 PolarHBondContact O-N 3.03Å; D80-N83 WeakPolarHBondContact O-CB 3.47Å; D80-N83 PolarHBondContact O-N 3.17Å; D80-N83 PolarHBondContact OD1-ND2 3.47Å; D80-Q111 PolarHBondContact OD2-NE2 2.84Å |
| 81 | L | 73 | Confident | 78.6 | Confident | 9 Ų | 9 | 50 Ų | 50 | 5% | 0.047 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -55.9 | -36 | 176.8 | -174.2 | 69.6 | 0 | 0 | 0 | 112.1 | V64 K68 L71 L75 P78 D79 | V64-L81 HydrophobicContact CG1-CD2 3.97Å; V64-L81 HydrophobicContact CG1-CG 4.1Å; K68-L81 HydrophobicContact CG-CD2 4.31Å; L71-L81 HydrophobicContact CB-CD1 3.53Å; L71-L81 HydrophobicContact CD1-CD1 3.82Å; L71-L81 HydrophobicContact CG-CD1 4.33Å; L75-L81 HydrophobicContact CD1-CB 3.76Å; L75-L81 HydrophobicContact CD1-CD1 3.64Å; L75-L81 HydrophobicContact CD1-CG 4.31Å; P78-L81 WeakPolarHBondContact O-CB 3.44Å; P78-L81 PolarHBondContact O-N 2.81Å; D79-L81 PolarHBondContact O-N 3.22Å; D79-L81 VanDerWaalsContact O-N 3.15Å |
| 82 | Y | 75.7 | Confident | 78.9 | Confident | 111 Ų | 111 | 50 Ų | 50 | 44% | 0.435 | 26% | 0.259 | S | S | . | . | G | 310 helix | trans | -82 | -12 | 178.4 | -61.2 | -83.2 | 0 | 0 | 0 | 113.9 | V64 D80 W84 H85 Y626 | V64-Y82 HydrophobicContact CG1-CD1 4.17Å; V64-Y82 HydrophobicContact CG1-CE1 3.79Å; D80-Y82 PolarHBondContact O-N 3.03Å; Y82-W84 PolarHBondContact O-N 3.46Å; Y82-H85 PolarHBondContact O-CE1 2.86Å; Y82-Y626 VanDerWaalsContact CE1-OH 3.28Å; Y82-Y626 WeakPolarHBondContact CE1-OH 3.4Å; Y82-Y626 PolarHBondContact OH-OH 3.2Å |
| 83 | N | 83.6 | Confident | 78.7 | Confident | 51 Ų | 51 | 50.3 Ų | 50.3 | 27% | 0.273 | 26% | 0.261 | S | S | . | . | G | 310 helix | trans | -80.7 | -1.1 | 176.6 | -68.2 | -26.3 | 0 | 0 | 0 | 112.9 | D80 N108 N110 | D80-N83 WeakPolarHBondContact O-CB 3.47Å; D80-N83 PolarHBondContact O-N 3.17Å; D80-N83 PolarHBondContact OD1-ND2 3.47Å; N83-N108 WeakPolarHBondContact O-CA 3.43Å; N83-N110 VanDerWaalsContact CG-ND2 3.32Å; N83-N110 PolarHBondContact ND2-ND2 3.45Å |
| 84 | W | 87.6 | Confident | 78.3 | Confident | 4 Ų | 4 | 46.8 Ų | 46.8 | 2% | 0.015 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 126.1 | 170.6 | -73.9 | 93.5 | 0 | 0 | 0 | 111 | L71 V74 Y82 L106 N108 R113 L115 L132 | L71-W84 HydrophobicContact CD2-CD2 3.94Å; L71-W84 HydrophobicContact CD2-CG 4.04Å; L71-W84 HydrophobicContact CD2-CZ2 4.49Å; V74-W84 HydrophobicContact CG1-CZ2 3.9Å; Y82-W84 PolarHBondContact O-N 3.46Å; W84-L106 HydrophobicContact CE3-CB 3.8Å; W84-L106 HydrophobicContact CZ3-CB 4.27Å; W84-N108 HydrophobicContact CD2-CB 3.68Å; W84-N108 HydrophobicContact CE3-CB 3.93Å; W84-N108 HydrophobicContact CG-CB 4.12Å; W84-N108 HydrophobicContact CH2-CB 4.3Å; W84-N108 HydrophobicContact CZ2-CB 4.03Å; W84-N108 HydrophobicContact CZ3-CB 4.24Å; W84-R113 HydrophobicContact CH2-CB 3.85Å; W84-R113 HydrophobicContact CZ2-CB 4.34Å; W84-L115 HydrophobicContact CH2-CB 4.4Å; W84-L115 HydrophobicContact CZ3-CB 3.97Å; W84-L132 HydrophobicContact CH2-CD1 4.26Å |
| 85 | H | 88.9 | Confident | 77.4 | Confident | 58 Ų | 58 | 49.7 Ų | 49.7 | 27% | 0.269 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 141 | -174.5 | -58.9 | -25.8 | 0 | 0 | 0 | 112.3 | I43 Y82 S87 L106 V107 | I43-H85 HydrophobicContact CB-CB 4.19Å; I43-H85 CarbonylContact O-C 3.54Å; I43-H85 VanDerWaalsContact O-CA 3.28Å; I43-H85 WeakPolarHBondContact O-CA 3.39Å; Y82-H85 PolarHBondContact O-CE1 2.86Å; H85-S87 PolarHBondContact O-N 2.74Å; H85-S87 VanDerWaalsContact O-N 3.17Å; H85-L106 CarbonylContact O-C 3.55Å; H85-L106 WeakPolarHBondContact O-CA 3.49Å; H85-V107 PolarHBondContact N-O 2.71Å; H85-V107 PolarHBondContact O-N 3Å |
| 86 | I | 91.4 | Very high | 76.3 | Confident | 4 Ų | 4 | 53.3 Ų | 53.3 | 2% | 0.021 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 109.6 | 172.5 | -53.5 | 173.7 | 0 | 0 | 0 | 108.7 | Y41 D42 I43 L46 W61 P63 V89 L106 | Y41-I86 HydrophobicContact CD2-CB 4.43Å; Y41-I86 HydrophobicContact CD2-CG2 3.67Å; Y41-I86 HydrophobicContact CE2-CG2 4.15Å; Y41-I86 HydrophobicContact CG-CG2 4.31Å; D42-I86 WeakPolarHBondContact O-CB 3.4Å; I43-I86 PolarHBondContact O-N 3.16Å; L46-I86 HydrophobicContact CB-CD1 4.2Å; W61-I86 HydrophobicContact CE3-CD1 4.37Å; W61-I86 HydrophobicContact CZ3-CD1 4.25Å; W61-I86 HydrophobicContact CZ3-CG1 4.43Å; P63-I86 HydrophobicContact CG-CD1 4.14Å; P63-I86 HydrophobicContact CG-CG1 4.02Å; I86-V89 HydrophobicContact CG2-CG2 3.78Å; I86-L106 HydrophobicContact CB-CD2 4.36Å; I86-L106 HydrophobicContact CG1-CD2 3.65Å |
| 87 | S | 89 | Confident | 75.2 | Confident | 40 Ų | 40 | 49 Ų | 49 | 28% | 0.28 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | -42.3 | -179.6 | 173.5 | 0 | 0 | 0 | 0 | 111.9 | H85 V105 I137 | H85-S87 PolarHBondContact O-N 2.74Å; H85-S87 VanDerWaalsContact O-N 3.17Å; S87-V105 PolarHBondContact N-O 2.79Å; S87-I137 PolarHBondContact OG-O 2.54Å; S87-I137 VanDerWaalsContact OG-O 3.13Å |
| 88 | K | 89.9 | Confident | 74.3 | Confident | 72 Ų | 72 | 52.3 Ų | 52.3 | 31% | 0.313 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 143.1 | -171.5 | -164.2 | 77.1 | 176.4 | -174.1 | 0 | 110.7 | I90 A104 V105 L140 | K88-I90 HydrophobicContact CG-CG2 4.47Å; K88-A104 CarbonylContact O-C 3.6Å; K88-A104 WeakPolarHBondContact O-CA 3.41Å; K88-V105 HydrophobicContact CB-CB 4.14Å; K88-V105 HydrophobicContact CB-CG2 4.12Å; K88-V105 PolarHBondContact O-N 3.37Å; K88-L140 HydrophobicContact CG-CB 4.28Å |
| 89 | V | 92.4 | Very high | 74.2 | Confident | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.006 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 141.6 | 166.1 | -175.9 | 0 | 0 | 0 | 0 | 108.5 | V30 Y41 L46 I86 L102 A103 A104 | V30-V89 WeakPolarHBondContact CG2-O 3.24Å; Y41-V89 HydrophobicContact CD1-CB 3.9Å; Y41-V89 HydrophobicContact CD1-CG2 3.59Å; Y41-V89 HydrophobicContact CD2-CG2 4.06Å; Y41-V89 HydrophobicContact CE1-CB 3.56Å; Y41-V89 HydrophobicContact CE1-CG2 3.64Å; Y41-V89 HydrophobicContact CE2-CG2 4.12Å; Y41-V89 HydrophobicContact CG-CG2 3.81Å; Y41-V89 PolarHBondContact OH-N 2.94Å; L46-V89 HydrophobicContact CD1-CG1 4.36Å; L46-V89 HydrophobicContact CD1-CG2 4.34Å; I86-V89 HydrophobicContact CG2-CG2 3.78Å; V89-L102 HydrophobicContact CG1-CD1 3.83Å; V89-L102 HydrophobicContact CG1-CD2 3.97Å; V89-L102 HydrophobicContact CG1-CG 3.91Å; V89-A103 CarbonylContact C-O 3.41Å; V89-A103 WeakPolarHBondContact CA-O 3.31Å; V89-A104 HydrophobicContact CG2-CB 4.12Å |
| 90 | I | 91.2 | Very high | 74.9 | Confident | 26 Ų | 26 | 51.2 Ų | 51.2 | 13% | 0.133 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 150 | 173.5 | 60.5 | 175.7 | 0 | 0 | 0 | 111 | K88 V92 L102 A103 L140 F188 | K88-I90 HydrophobicContact CG-CG2 4.47Å; I90-V92 HydrophobicContact CG1-CG2 4.38Å; I90-L102 WeakPolarHBondContact O-CD1 3.28Å; I90-A103 HydrophobicContact CG1-CB 4.04Å; I90-A103 PolarHBondContact N-O 3.08Å; I90-A103 PolarHBondContact O-N 3.19Å; I90-L140 HydrophobicContact CD1-CB 4.48Å; I90-L140 HydrophobicContact CD1-CD2 3.56Å; I90-L140 HydrophobicContact CD1-CG 3.71Å; I90-L140 HydrophobicContact CG1-CD2 3.9Å; I90-F188 HydrophobicContact CD1-CD1 4.44Å; I90-F188 HydrophobicContact CD1-CE1 3.91Å |
| 91 | F | 88.9 | Confident | 75.5 | Confident | 34 Ų | 34 | 49.8 Ų | 49.8 | 15% | 0.149 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 147.7 | 165.1 | -71.1 | -79.6 | 0 | 0 | 0 | 110.4 | V30 F31 S32 C39 L102 L122 | V30-F91 HydrophobicContact CB-CE2 4.45Å; V30-F91 HydrophobicContact CG1-CD2 3.67Å; V30-F91 HydrophobicContact CG1-CE2 3.85Å; F31-F91 WeakPolarHBondContact O-CD2 3.42Å; S32-F91 VanDerWaalsContact CA-CD2 3.48Å; C39-F91 HydrophobicContact CB-CZ 4.31Å; C39-F91 VanDerWaalsContact SG-CZ 3.53Å; F91-L102 HydrophobicContact CD1-CD1 3.54Å; F91-L102 HydrophobicContact CD2-CD1 4.41Å; F91-L102 HydrophobicContact CE1-CD1 3.62Å; F91-L102 HydrophobicContact CE2-CD1 4.46Å; F91-L102 HydrophobicContact CG-CD1 3.97Å; F91-L102 HydrophobicContact CZ-CD1 4.1Å; F91-L122 HydrophobicContact CD1-CD1 4.3Å; F91-L122 HydrophobicContact CE1-CD1 3.76Å; F91-L122 HydrophobicContact CE1-CD2 3.98Å; F91-L122 HydrophobicContact CE1-CG 4.5Å |
| 92 | V | 85.5 | Confident | 76.4 | Confident | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.006 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 120.9 | -178.8 | -176.2 | 0 | 0 | 0 | 0 | 108.9 | I90 T94 S101 A103 F118 W142 F188 | I90-V92 HydrophobicContact CG1-CG2 4.38Å; V92-T94 HydrophobicContact CG1-CG2 4.2Å; V92-S101 PolarHBondContact N-O 3.3Å; V92-S101 WeakPolarHBondContact O-CB 3.3Å; V92-S101 PolarHBondContact O-N 2.81Å; V92-S101 VanDerWaalsContact O-N 3.09Å; V92-A103 HydrophobicContact CG2-CB 3.88Å; V92-F118 HydrophobicContact CB-CE2 4.08Å; V92-F118 HydrophobicContact CG1-CE2 4.06Å; V92-F118 HydrophobicContact CG2-CE2 4.24Å; V92-W142 HydrophobicContact CG1-CD2 3.61Å; V92-W142 HydrophobicContact CG1-CE3 4.05Å; V92-W142 HydrophobicContact CG1-CG 3.94Å; V92-W142 HydrophobicContact CG1-CH2 4.34Å; V92-W142 HydrophobicContact CG1-CZ2 3.93Å; V92-W142 HydrophobicContact CG1-CZ3 4.39Å; V92-F188 HydrophobicContact CG2-CE1 4.08Å; V92-F188 HydrophobicContact CG2-CZ 3.94Å |
| 93 | N | 72.1 | Confident | 77.2 | Confident | 64 Ų | 64 | 44.1 Ų | 44.1 | 34% | 0.342 | 25% | 0.246 | S | C | . | . | trans | -90 | 108.5 | 167.2 | -90.9 | 1.3 | 0 | 0 | 0 | 108.8 | W142 H466 | N93-W142 PolarHBondContact O-NE1 3.41Å; N93-W142 VanDerWaalsContact O-NE1 3.15Å; N93-H466 PolarHBondContact ND2-CD2 3.38Å; N93-H466 PolarHBondContact ND2-NE2 2.75Å | ||
| 94 | T | 64.4 | Low | 77.7 | Confident | 13 Ų | 13 | 41.7 Ų | 41.7 | 8% | 0.08 | 23% | 0.233 | C | C | . | . | trans | -88.2 | 130.5 | 166.6 | 55 | 0 | 0 | 0 | 0 | 108.6 | V92 T96 F118 W142 L204 | V92-T94 HydrophobicContact CG1-CG2 4.2Å; T94-T96 PolarHBondContact O-N 3.4Å; T94-T96 VanDerWaalsContact O-N 3.09Å; T94-F118 HydrophobicContact CG2-CZ 4.06Å; T94-W142 HydrophobicContact CG2-CZ2 4.44Å; T94-L204 HydrophobicContact CG2-CD1 3.98Å | ||
| 95 | S | 54.8 | Low | 78 | Confident | 77 Ų | 77 | 41.5 Ų | 41.5 | 54% | 0.538 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -9.8 | -175.8 | 58.2 | 0 | 0 | 0 | 0 | 113.9 | D147 | S95-D147 WeakPolarHBondContact CB-OD1 3.29Å; S95-D147 WeakPolarHBondContact CB-OD2 3.46Å; S95-D147 PolarHBondContact OG-OD1 3.24Å |
| 96 | T | 46.8 | Very low | 78.3 | Confident | 100 Ų | 100 | 38.7 Ų | 38.7 | 61% | 0.613 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | -17.7 | -171.1 | 52 | 0 | 0 | 0 | 0 | 114.9 | T94 | T94-T96 PolarHBondContact O-N 3.4Å; T94-T96 VanDerWaalsContact O-N 3.09Å |
| 97 | T | 44.1 | Very low | 78.3 | Confident | 61 Ų | 61 | 39 Ų | 39 | 37% | 0.374 | 22% | 0.221 | S | C | . | . | trans | -141.7 | 145.2 | 178.7 | 70.6 | 0 | 0 | 0 | 0 | 113 | R99 | T97-R99 PolarHBondContact O-N 2.69Š| ||
| 98 | A | 45 | Very low | 78.4 | Confident | 112 Ų | 112 | 37.1 Ų | 37.1 | 93% | 0.926 | 21% | 0.208 | S | C | * | . | S | Bend | trans | -75.6 | 25.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 99 | R | 60.3 | Low | 78.1 | Confident | 170 Ų | 170 | 37.4 Ų | 37.4 | 64% | 0.642 | 22% | 0.216 | S | C | * | . | S | Bend | trans | -116.5 | 129.7 | 179.2 | -66.2 | -178.7 | -179.2 | 165.5 | 0.9 | 108.4 | T97 S101 | T97-R99 PolarHBondContact O-N 2.69Å; R99-S101 PolarHBondContact O-N 3.48Å |
| 100 | Q | 75.4 | Confident | 77.7 | Confident | 38 Ų | 38 | 42.5 Ų | 42.5 | 18% | 0.178 | 24% | 0.243 | C | C | . | . | trans | -64.6 | 130.6 | 171.3 | -69.9 | 173.9 | -23 | 0 | 0 | 109.2 | S32 S34 T37 L122 | S32-Q100 VanDerWaalsContact CB-NE2 3.31Å; S32-Q100 PolarHBondContact OG-NE2 3.49Å; S32-Q100 VanDerWaalsContact OG-NE2 3.15Å; S34-Q100 PolarHBondContact OG-NE2 3.05Å; T37-Q100 PolarHBondContact OG1-OE1 2.9Å; Q100-L122 HydrophobicContact CB-CD1 3.71Å | ||
| 101 | S | 86.1 | Confident | 77.4 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 164.9 | 171.2 | -52.9 | 0 | 0 | 0 | 0 | 110.1 | V92 R99 F119 R120 | V92-S101 PolarHBondContact N-O 3.3Å; V92-S101 WeakPolarHBondContact O-CB 3.3Å; V92-S101 PolarHBondContact O-N 2.81Å; V92-S101 VanDerWaalsContact O-N 3.09Å; R99-S101 PolarHBondContact O-N 3.48Å; S101-F119 CarbonylContact C-O 3.58Å; S101-F119 VanDerWaalsContact CA-O 3.27Å; S101-F119 WeakPolarHBondContact CA-O 3.2Å; S101-F119 VanDerWaalsContact CB-O 3.28Å; S101-F119 WeakPolarHBondContact CB-O 3.2Å; S101-R120 PolarHBondContact OG-O 3.25Å |
| 102 | L | 91.2 | Very high | 77.3 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 146.4 | 179.5 | -163.2 | 77.6 | 0 | 0 | 0 | 109.7 | L46 F59 V89 I90 F91 F119 L122 | L46-L102 HydrophobicContact CD2-CD2 3.87Å; F59-L102 HydrophobicContact CZ-CD2 4.34Å; V89-L102 HydrophobicContact CG1-CD1 3.83Å; V89-L102 HydrophobicContact CG1-CD2 3.97Å; V89-L102 HydrophobicContact CG1-CG 3.91Å; I90-L102 WeakPolarHBondContact O-CD1 3.28Å; F91-L102 HydrophobicContact CD1-CD1 3.54Å; F91-L102 HydrophobicContact CD2-CD1 4.41Å; F91-L102 HydrophobicContact CE1-CD1 3.62Å; F91-L102 HydrophobicContact CE2-CD1 4.46Å; F91-L102 HydrophobicContact CG-CD1 3.97Å; F91-L102 HydrophobicContact CZ-CD1 4.1Å; L102-F119 HydrophobicContact CB-CB 4.19Å; L102-F119 HydrophobicContact CB-CD2 4.17Å; L102-F119 HydrophobicContact CD2-CD2 4.32Å; L102-F119 PolarHBondContact N-O 3.45Å; L102-F119 PolarHBondContact O-N 3.38Å; L102-L122 HydrophobicContact CB-CD2 3.93Å; L102-L122 HydrophobicContact CD1-CD2 4.34Å; L102-L122 HydrophobicContact CD2-CD2 4.31Å; L102-L122 HydrophobicContact CG-CD2 4.44Å |
| 103 | A | 92.7 | Very high | 77.6 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 135.6 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | V89 I90 V92 C117 F118 L140 F188 | V89-A103 CarbonylContact C-O 3.41Å; V89-A103 WeakPolarHBondContact CA-O 3.31Å; I90-A103 HydrophobicContact CG1-CB 4.04Å; I90-A103 PolarHBondContact N-O 3.08Å; I90-A103 PolarHBondContact O-N 3.19Å; V92-A103 HydrophobicContact CG2-CB 3.88Å; A103-C117 CarbonylContact C-O 3.58Å; A103-C117 WeakPolarHBondContact CA-O 3.27Å; A103-F118 HydrophobicContact CB-CD2 4.4Å; A103-L140 HydrophobicContact CB-CD2 4.22Å; A103-F188 HydrophobicContact CB-CE1 4.27Å; A103-F188 HydrophobicContact CB-CZ 3.73Å |
| 104 | A | 94.2 | Very high | 78.7 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 141.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | W61 K88 V89 C117 F119 | W61-A104 HydrophobicContact CH2-CB 4.03Å; W61-A104 HydrophobicContact CZ3-CB 3.69Å; K88-A104 CarbonylContact O-C 3.6Å; K88-A104 WeakPolarHBondContact O-CA 3.41Å; V89-A104 HydrophobicContact CG2-CB 4.12Å; A104-C117 HydrophobicContact CB-CB 4.49Å; A104-C117 PolarHBondContact N-O 2.83Å; A104-C117 PolarHBondContact O-N 2.89Å; A104-F119 HydrophobicContact CB-CE2 4.16Å |
| 105 | V | 94.7 | Very high | 80.1 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 117.8 | 177.9 | -175.4 | 0 | 0 | 0 | 0 | 108.8 | S87 K88 V107 I137 L140 | S87-V105 PolarHBondContact N-O 2.79Å; K88-V105 HydrophobicContact CB-CB 4.14Å; K88-V105 HydrophobicContact CB-CG2 4.12Å; K88-V105 PolarHBondContact O-N 3.37Å; V105-V107 HydrophobicContact CG1-CG2 4Å; V105-I137 HydrophobicContact CG1-CB 3.84Å; V105-I137 HydrophobicContact CG1-CD1 4.34Å; V105-I137 HydrophobicContact CG1-CG2 3.93Å; V105-L140 HydrophobicContact CG2-CB 4.19Å; V105-L140 HydrophobicContact CG2-CD2 3.59Å; V105-L140 HydrophobicContact CG2-CG 4.35Å |
| 106 | L | 94 | Very high | 81.9 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 142.2 | 166.6 | -51.4 | 177.6 | 0 | 0 | 0 | 109 | W61 P63 L67 W84 H85 I86 S114 L115 | W61-L106 HydrophobicContact CH2-CD1 4.08Å; W61-L106 HydrophobicContact CH2-CD2 3.8Å; W61-L106 HydrophobicContact CH2-CG 4.07Å; W61-L106 HydrophobicContact CZ2-CD1 4.4Å; W61-L106 HydrophobicContact CZ3-CD2 4.12Å; P63-L106 HydrophobicContact CB-CD1 3.68Å; P63-L106 HydrophobicContact CB-CD2 3.95Å; P63-L106 HydrophobicContact CB-CG 4.49Å; P63-L106 HydrophobicContact CG-CD1 4.13Å; P63-L106 HydrophobicContact CG-CD2 3.51Å; P63-L106 HydrophobicContact CG-CG 4.48Å; L67-L106 HydrophobicContact CD1-CD1 3.79Å; W84-L106 HydrophobicContact CE3-CB 3.8Å; W84-L106 HydrophobicContact CZ3-CB 4.27Å; H85-L106 CarbonylContact O-C 3.55Å; H85-L106 WeakPolarHBondContact O-CA 3.49Å; I86-L106 HydrophobicContact CB-CD2 4.36Å; I86-L106 HydrophobicContact CG1-CD2 3.65Å; L106-S114 CarbonylContact O-C 3.52Å; L106-S114 WeakPolarHBondContact O-CA 3.27Å; L106-S114 WeakPolarHBondContact O-CB 3.44Å; L106-L115 HydrophobicContact CB-CB 4.21Å; L106-L115 HydrophobicContact CD1-CD2 4.21Å; L106-L115 PolarHBondContact N-O 2.99Å; L106-L115 PolarHBondContact O-N 3.09Å |
| 107 | V | 92.2 | Very high | 84.1 | Confident | 10 Ų | 10 | 34.4 Ų | 34.4 | 6% | 0.061 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 134.2 | 177.5 | 179.5 | 0 | 0 | 0 | 0 | 109 | H85 V105 T109 A136 I137 | H85-V107 PolarHBondContact N-O 2.71Å; H85-V107 PolarHBondContact O-N 3Å; V105-V107 HydrophobicContact CG1-CG2 4Å; V107-T109 HydrophobicContact CG1-CG2 4.02Å; V107-A136 HydrophobicContact CG1-CB 3.66Å; V107-I137 WeakPolarHBondContact CG2-O 3.48Å |
| 108 | N | 90.5 | Very high | 86.3 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 106.6 | 162.3 | -179.3 | -34.5 | 0 | 0 | 0 | 107.8 | N83 W84 N110 Q111 N112 R113 | N83-N108 WeakPolarHBondContact O-CA 3.43Å; W84-N108 HydrophobicContact CD2-CB 3.68Å; W84-N108 HydrophobicContact CE3-CB 3.93Å; W84-N108 HydrophobicContact CG-CB 4.12Å; W84-N108 HydrophobicContact CH2-CB 4.3Å; W84-N108 HydrophobicContact CZ2-CB 4.03Å; W84-N108 HydrophobicContact CZ3-CB 4.24Å; N108-N110 VanDerWaalsContact C-N 3.32Å; N108-N110 WeakPolarHBondContact OD1-CB 3.41Å; N108-N110 PolarHBondContact OD1-N 2.79Å; N108-Q111 HydrophobicContact CB-CB 4.48Å; N108-Q111 PolarHBondContact OD1-N 3.33Å; N108-N112 WeakPolarHBondContact O-CA 3.48Å; N108-N112 PolarHBondContact O-N 2.96Å; N108-R113 PolarHBondContact N-O 2.8Å; N108-R113 PolarHBondContact O-N 3.47Å; N108-R113 VanDerWaalsContact O-N 3.1Å |
| 109 | T | 83.6 | Confident | 88.4 | Confident | 78 Ų | 78 | 26.2 Ų | 26.2 | 48% | 0.479 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -26.9 | -177.1 | 46.3 | 0 | 0 | 0 | 0 | 113 | V107 N112 | V107-T109 HydrophobicContact CG1-CG2 4.02Å; T109-N112 PolarHBondContact O-N 2.84Å |
| 110 | N | 83.9 | Confident | 89.4 | Confident | 109 Ų | 109 | 21.3 Ų | 21.3 | 58% | 0.583 | 11% | 0.106 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -43 | -179.4 | -61.2 | -17.1 | 0 | 0 | 0 | 110.7 | N83 N108 | N83-N110 VanDerWaalsContact CG-ND2 3.32Å; N83-N110 PolarHBondContact ND2-ND2 3.45Å; N108-N110 VanDerWaalsContact C-N 3.32Å; N108-N110 WeakPolarHBondContact OD1-CB 3.41Å; N108-N110 PolarHBondContact OD1-N 2.79Å |
| 111 | Q | 84.6 | Confident | 89.6 | Confident | 37 Ų | 37 | 20.5 Ų | 20.5 | 17% | 0.173 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -7.3 | 175.5 | -63.2 | 179.1 | -0.3 | 0 | 0 | 113.1 | D80 N108 R113 | D80-Q111 PolarHBondContact OD2-NE2 2.84Å; N108-Q111 HydrophobicContact CB-CB 4.48Å; N108-Q111 PolarHBondContact OD1-N 3.33Å; Q111-R113 VanDerWaalsContact C-N 3.27Å; Q111-R113 HydrophobicContact CB-CG 4.37Å; Q111-R113 PolarHBondContact O-N 2.98Å |
| 112 | N | 87.8 | Confident | 89.3 | Confident | 57 Ų | 57 | 21 Ų | 21 | 31% | 0.305 | 11% | 0.108 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.9 | 45.7 | -172.6 | -174.7 | 43 | 0 | 0 | 0 | 112.3 | N108 T109 G135 A136 | N108-N112 WeakPolarHBondContact O-CA 3.48Å; N108-N112 PolarHBondContact O-N 2.96Å; T109-N112 PolarHBondContact O-N 2.84Å; N112-G135 CarbonylContact O-C 3.56Å; N112-G135 WeakPolarHBondContact O-CA 3.4Å; N112-G135 PolarHBondContact O-N 3.11Å; N112-A136 WeakPolarHBondContact OD1-CB 3.3Å; N112-A136 PolarHBondContact OD1-N 2.78Å |
| 113 | R | 91.2 | Very high | 88.7 | Confident | 47 Ų | 47 | 24.5 Ų | 24.5 | 18% | 0.177 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 155.7 | 177.2 | -69.9 | -177.6 | -175.6 | 149.3 | 13.6 | 110.7 | V74 E76 W84 N108 Q111 | V74-R113 PolarHBondContact O-NH1 2.99Å; E76-R113 IonicContact OE1-CZ 2.91Å; E76-R113 IonicContact OE1-NH1 2.69Å; E76-R113 IonicContact OE1-NH2 3.55Å; E76-R113 PolarHBondContact OE1-NH2 3.33Å; W84-R113 HydrophobicContact CH2-CB 3.85Å; W84-R113 HydrophobicContact CZ2-CB 4.34Å; N108-R113 PolarHBondContact N-O 2.8Å; N108-R113 PolarHBondContact O-N 3.47Å; N108-R113 VanDerWaalsContact O-N 3.1Å; Q111-R113 VanDerWaalsContact C-N 3.27Å; Q111-R113 HydrophobicContact CB-CG 4.37Å; Q111-R113 PolarHBondContact O-N 2.98Å |
| 114 | S | 94.8 | Very high | 88 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 153.2 | 173 | -51.9 | 0 | 0 | 0 | 0 | 111.3 | L106 I133 G135 A136 I137 | L106-S114 CarbonylContact O-C 3.52Å; L106-S114 WeakPolarHBondContact O-CA 3.27Å; L106-S114 WeakPolarHBondContact O-CB 3.44Å; S114-I133 PolarHBondContact N-O 3.04Å; S114-I133 PolarHBondContact O-N 3.04Å; S114-G135 PolarHBondContact OG-O 3.25Å; S114-A136 WeakPolarHBondContact OG-CA 3.41Å; S114-I137 WeakPolarHBondContact OG-CG1 3.46Å; S114-I137 PolarHBondContact OG-N 2.87Å |
| 115 | L | 93.3 | Very high | 87.2 | Confident | 3 Ų | 3 | 29.1 Ų | 29.1 | 2% | 0.016 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 119.5 | 172.5 | -165.7 | 76.7 | 0 | 0 | 0 | 108.6 | L67 L71 W84 L106 I131 L132 P216 | L67-L115 HydrophobicContact CD1-CD2 3.71Å; L71-L115 HydrophobicContact CD2-CD2 4.3Å; W84-L115 HydrophobicContact CH2-CB 4.4Å; W84-L115 HydrophobicContact CZ3-CB 3.97Å; L106-L115 HydrophobicContact CB-CB 4.21Å; L106-L115 HydrophobicContact CD1-CD2 4.21Å; L106-L115 PolarHBondContact N-O 2.99Å; L106-L115 PolarHBondContact O-N 3.09Å; L115-I131 WeakPolarHBondContact CA-O 3.36Å; L115-L132 HydrophobicContact CD1-CB 4.11Å; L115-L132 HydrophobicContact CD1-CD1 4.26Å; L115-P216 HydrophobicContact CD1-CB 3.84Å; L115-P216 HydrophobicContact CD1-CG 4.41Å |
| 116 | V | 93.7 | Very high | 86.6 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 110.9 | 176.4 | 178.9 | 0 | 0 | 0 | 0 | 108.4 | A130 I131 I133 I137 F188 | V116-A130 WeakPolarHBondContact O-CA 3.33Å; V116-I131 PolarHBondContact N-O 3.4Å; V116-I131 PolarHBondContact O-N 3.18Å; V116-I133 HydrophobicContact CB-CD1 4.49Å; V116-I133 HydrophobicContact CG2-CD1 3.6Å; V116-I133 HydrophobicContact CG2-CG1 4.41Å; V116-I137 HydrophobicContact CG2-CD1 4.01Å; V116-F188 HydrophobicContact CG1-CE2 4.48Å |
| 117 | C | 92.5 | Very high | 86.1 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 119.5 | -175.9 | -57 | 0 | 0 | 0 | 0 | 109.5 | W61 A103 A104 F119 | W61-C117 HydrophobicContact CH2-CB 4.02Å; W61-C117 HydrophobicContact CZ2-CB 4.2Å; A103-C117 CarbonylContact C-O 3.58Å; A103-C117 WeakPolarHBondContact CA-O 3.27Å; A104-C117 HydrophobicContact CB-CB 4.49Å; A104-C117 PolarHBondContact N-O 2.83Å; A104-C117 PolarHBondContact O-N 2.89Å; C117-F119 HydrophobicContact CB-CE2 4.21Å |
| 118 | F | 90.2 | Very high | 85.6 | Confident | 1 Ų | 1 | 35.8 Ų | 35.8 | 0% | 0.004 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 130.8 | -179.9 | -178.1 | -100.6 | 0 | 0 | 0 | 111.7 | V92 T94 A103 R120 N128 I129 M202 L204 | V92-F118 HydrophobicContact CB-CE2 4.08Å; V92-F118 HydrophobicContact CG1-CE2 4.06Å; V92-F118 HydrophobicContact CG2-CE2 4.24Å; T94-F118 HydrophobicContact CG2-CZ 4.06Å; A103-F118 HydrophobicContact CB-CD2 4.4Å; F118-R120 HydrophobicContact CE1-CB 3.95Å; F118-R120 HydrophobicContact CE1-CG 4.06Å; F118-N128 WeakPolarHBondContact O-CB 3.4Å; F118-N128 PolarHBondContact O-N 2.88Å; F118-I129 HydrophobicContact CB-CB 4.09Å; F118-I129 HydrophobicContact CB-CD1 4.34Å; F118-I129 HydrophobicContact CB-CG1 4.33Å; F118-I129 HydrophobicContact CD1-CD1 3.68Å; F118-I129 HydrophobicContact CD1-CG1 4.06Å; F118-I129 HydrophobicContact CE1-CD1 4.37Å; F118-I129 HydrophobicContact CG-CD1 4.29Å; F118-I129 PolarHBondContact N-O 3.01Å; F118-I129 PolarHBondContact O-N 2.84Å; F118-M202 HydrophobicContact CB-CE 4.12Å; F118-M202 HydrophobicContact CG-CE 4.4Å; F118-L204 HydrophobicContact CD1-CD2 4.39Å; F118-L204 HydrophobicContact CE1-CD2 4.07Å; F118-L204 HydrophobicContact CZ-CD2 4.38Å |
| 119 | F | 88.9 | Confident | 85.4 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 111.4 | 177.6 | -52.3 | -99.9 | 0 | 0 | 0 | 108.5 | W61 S101 L102 A104 C117 S121 C127 | W61-F119 HydrophobicContact CD2-CE1 4.4Å; W61-F119 AromaticContact CD2-CZ 3.74Å; W61-F119 HydrophobicContact CD2-CZ 3.74Å; W61-F119 AromaticContact CE2-CZ 3.63Å; W61-F119 HydrophobicContact CE3-CZ 4.1Å; W61-F119 HydrophobicContact CG-CE1 4.38Å; W61-F119 HydrophobicContact CG-CZ 4.17Å; W61-F119 HydrophobicContact CH2-CZ 4.16Å; W61-F119 AromaticContact CZ2-CZ 3.85Å; W61-F119 HydrophobicContact CZ2-CZ 3.85Å; W61-F119 HydrophobicContact CZ3-CZ 4.29Å; S101-F119 CarbonylContact C-O 3.58Å; S101-F119 VanDerWaalsContact CA-O 3.27Å; S101-F119 WeakPolarHBondContact CA-O 3.2Å; S101-F119 VanDerWaalsContact CB-O 3.28Å; S101-F119 WeakPolarHBondContact CB-O 3.2Å; L102-F119 HydrophobicContact CB-CB 4.19Å; L102-F119 HydrophobicContact CB-CD2 4.17Å; L102-F119 HydrophobicContact CD2-CD2 4.32Å; L102-F119 PolarHBondContact N-O 3.45Å; L102-F119 PolarHBondContact O-N 3.38Å; A104-F119 HydrophobicContact CB-CE2 4.16Å; C117-F119 HydrophobicContact CB-CE2 4.21Å; F119-S121 VanDerWaalsContact C-N 3.27Å; F119-S121 PolarHBondContact O-N 3.2Å; F119-C127 HydrophobicContact CD1-CB 4.49Å; F119-C127 HydrophobicContact CE1-CB 4.07Å; F119-C127 HydrophobicContact CZ-CB 4.44Å |
| 120 | R | 82 | Confident | 85.7 | Confident | 68 Ų | 68 | 32.1 Ų | 32.1 | 26% | 0.257 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -73.8 | -20.4 | -176.3 | -156.5 | 167.3 | -169.6 | 132 | 2.2 | 112.3 | S101 F118 N128 L204 T207 | S101-R120 PolarHBondContact OG-O 3.25Å; F118-R120 HydrophobicContact CE1-CB 3.95Å; F118-R120 HydrophobicContact CE1-CG 4.06Å; R120-N128 HydrophobicContact CB-CB 4.32Å; R120-N128 WeakPolarHBondContact CB-OD1 3.3Å; R120-N128 PolarHBondContact N-OD1 2.87Å; R120-L204 PolarHBondContact NH1-O 3.13Å; R120-L204 PolarHBondContact NH2-O 2.97Å; R120-T207 PolarHBondContact NH1-OG1 3.06Å; R120-T207 VanDerWaalsContact NH1-OG1 3.09Å |
| 121 | S | 80.3 | Confident | 86 | Confident | 21 Ų | 21 | 26.9 Ų | 26.9 | 15% | 0.147 | 14% | 0.144 | C | C | . | . | trans | -142.6 | 131.2 | 176 | -173 | 0 | 0 | 0 | 0 | 112.1 | F119 S123 | F119-S121 VanDerWaalsContact C-N 3.27Å; F119-S121 PolarHBondContact O-N 3.2Å; S121-S123 PolarHBondContact O-N 3.32Å; S121-S123 VanDerWaalsContact O-N 3.09Å; S121-S123 PolarHBondContact OG-OG 3.38Å | ||
| 122 | L | 79.4 | Confident | 86.4 | Confident | 11 Ų | 11 | 26.5 Ų | 26.5 | 6% | 0.058 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | 1.4 | 175.2 | -66.1 | 168.1 | 0 | 0 | 0 | 114.8 | T37 F59 F91 Q100 L102 T124 | T37-L122 HydrophobicContact CG2-CD1 4.2Å; F59-L122 VanDerWaalsContact CD1-O 3.31Å; F59-L122 WeakPolarHBondContact CD1-O 3.32Å; F59-L122 HydrophobicContact CE1-CD2 4.21Å; F91-L122 HydrophobicContact CD1-CD1 4.3Å; F91-L122 HydrophobicContact CE1-CD1 3.76Å; F91-L122 HydrophobicContact CE1-CD2 3.98Å; F91-L122 HydrophobicContact CE1-CG 4.5Å; Q100-L122 HydrophobicContact CB-CD1 3.71Å; L102-L122 HydrophobicContact CB-CD2 3.93Å; L102-L122 HydrophobicContact CD1-CD2 4.34Å; L102-L122 HydrophobicContact CD2-CD2 4.31Å; L102-L122 HydrophobicContact CG-CD2 4.44Å; L122-T124 VanDerWaalsContact C-N 3.3Å; L122-T124 PolarHBondContact O-N 2.8Å |
| 123 | S | 79.1 | Confident | 86.7 | Confident | 73 Ų | 73 | 23.8 Ų | 23.8 | 51% | 0.51 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77 | -10.4 | -178.5 | 52.6 | 0 | 0 | 0 | 0 | 114.8 | S121 | S121-S123 PolarHBondContact O-N 3.32Å; S121-S123 VanDerWaalsContact O-N 3.09Å; S121-S123 PolarHBondContact OG-OG 3.38Å |
| 124 | T | 77 | Confident | 86.6 | Confident | 67 Ų | 67 | 26.5 Ų | 26.5 | 41% | 0.411 | 15% | 0.146 | S | C | . | . | trans | -155.2 | 141.8 | -165.2 | 42.8 | 0 | 0 | 0 | 0 | 111.1 | L122 K126 | L122-T124 VanDerWaalsContact C-N 3.3Å; L122-T124 PolarHBondContact O-N 2.8Å; T124-K126 PolarHBondContact O-N 2.9Å | ||
| 125 | A | 78.6 | Confident | 86.4 | Confident | 29 Ų | 29 | 27 Ų | 27 | 24% | 0.24 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -73 | -2.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | F59 C127 | F59-A125 HydrophobicContact CB-CB 4.22Å; F59-A125 HydrophobicContact CD2-CB 3.81Å; F59-A125 HydrophobicContact CG-CB 4.31Å; A125-C127 PolarHBondContact O-N 3.27Å; A125-C127 VanDerWaalsContact O-N 3.07Å |
| 126 | K | 81.2 | Confident | 86.4 | Confident | 94 Ų | 94 | 26.9 Ų | 26.9 | 41% | 0.409 | 15% | 0.151 | S | C | . | . | trans | -64.6 | 108.8 | 175.5 | -169.1 | -172.4 | -176.2 | -170 | 0 | 108.9 | T124 D209 D210 | T124-K126 PolarHBondContact O-N 2.9Å; K126-D209 PolarHBondContact NZ-O 3.18Å; K126-D210 IonicContact NZ-OD1 3.49Å; K126-D210 PolarHBondContact NZ-OD1 2.59Å | ||
| 127 | C | 83.2 | Confident | 86.4 | Confident | 8 Ų | 8 | 27 Ų | 27 | 5% | 0.054 | 15% | 0.151 | C | C | . | . | trans | -59.8 | 142.7 | 164.6 | -168.4 | 0 | 0 | 0 | 0 | 109.2 | L67 F119 A125 I129 L211 | L67-C127 HydrophobicContact CD2-CB 4.05Å; F119-C127 HydrophobicContact CD1-CB 4.49Å; F119-C127 HydrophobicContact CE1-CB 4.07Å; F119-C127 HydrophobicContact CZ-CB 4.44Å; A125-C127 PolarHBondContact O-N 3.27Å; A125-C127 VanDerWaalsContact O-N 3.07Å; C127-I129 PolarHBondContact SG-O 2.82Å; C127-L211 WeakPolarHBondContact O-CD1 3.16Å | ||
| 128 | N | 82.7 | Confident | 86.5 | Confident | 48 Ų | 48 | 29 Ų | 29 | 26% | 0.257 | 16% | 0.163 | S | C | . | . | S | Bend | trans | -106.2 | -27.7 | -177.5 | -71.2 | 113.4 | 0 | 0 | 0 | 114 | F118 R120 | F118-N128 WeakPolarHBondContact O-CB 3.4Å; F118-N128 PolarHBondContact O-N 2.88Å; R120-N128 HydrophobicContact CB-CB 4.32Å; R120-N128 WeakPolarHBondContact CB-OD1 3.3Å; R120-N128 PolarHBondContact N-OD1 2.87Å |
| 129 | I | 86 | Confident | 86.7 | Confident | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 133.7 | -179 | -41.7 | 175 | 0 | 0 | 0 | 106.5 | F118 C127 I131 M202 L204 T207 E217 | F118-I129 HydrophobicContact CB-CB 4.09Å; F118-I129 HydrophobicContact CB-CD1 4.34Å; F118-I129 HydrophobicContact CB-CG1 4.33Å; F118-I129 HydrophobicContact CD1-CD1 3.68Å; F118-I129 HydrophobicContact CD1-CG1 4.06Å; F118-I129 HydrophobicContact CE1-CD1 4.37Å; F118-I129 HydrophobicContact CG-CD1 4.29Å; F118-I129 PolarHBondContact N-O 3.01Å; F118-I129 PolarHBondContact O-N 2.84Å; C127-I129 PolarHBondContact SG-O 2.82Å; I129-I131 HydrophobicContact CG2-CD1 4.17Å; I129-I131 HydrophobicContact CG2-CG1 3.92Å; I129-M202 HydrophobicContact CB-CE 4.43Å; I129-M202 HydrophobicContact CD1-CE 3.92Å; I129-M202 HydrophobicContact CG2-CE 4.22Å; I129-L204 HydrophobicContact CD1-CD2 3.5Å; I129-L204 VanDerWaalsContact CD1-CD2 3.5Å; I129-T207 HydrophobicContact CD1-CG2 3.57Å; I129-T207 HydrophobicContact CG1-CG2 3.93Å; I129-E217 WeakPolarHBondContact CG2-OE2 3.3Å |
| 130 | A | 89.4 | Confident | 87 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 88.9 | -173.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | V116 P216 E217 | V116-A130 WeakPolarHBondContact O-CA 3.33Å; A130-P216 HydrophobicContact CB-CB 4.44Å; A130-P216 CarbonylContact O-C 3.54Å; A130-P216 WeakPolarHBondContact O-CA 3.37Å; A130-P216 WeakPolarHBondContact O-CB 3.05Å; A130-E217 PolarHBondContact N-OE2 3.05Å; A130-E217 VanDerWaalsContact N-OE2 3.13Å; A130-E217 PolarHBondContact O-N 2.8Å |
| 131 | I | 91 | Very high | 87.5 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 120.4 | -170.3 | -51.6 | 167.1 | 0 | 0 | 0 | 110.5 | L115 V116 I129 I133 L200 M202 E217 H247 | L115-I131 WeakPolarHBondContact CA-O 3.36Å; V116-I131 PolarHBondContact N-O 3.4Å; V116-I131 PolarHBondContact O-N 3.18Å; I129-I131 HydrophobicContact CG2-CD1 4.17Å; I129-I131 HydrophobicContact CG2-CG1 3.92Å; I131-I133 HydrophobicContact CG2-CD1 4.46Å; I131-I133 HydrophobicContact CG2-CG1 4.18Å; I131-L200 HydrophobicContact CD1-CD2 4Å; I131-L200 HydrophobicContact CG2-CD1 4.42Å; I131-M202 HydrophobicContact CD1-CE 3.71Å; I131-M202 HydrophobicContact CD1-SD 3.44Å; I131-M202 WeakPolarHBondContact CD1-SD 3.32Å; I131-E217 CarbonylContact C-O 3.54Å; I131-E217 WeakPolarHBondContact CA-O 3.46Å; I131-H247 HydrophobicContact CD1-CB 4.49Å; I131-H247 WeakPolarHBondContact CD1-ND1 3.31Å; I131-H247 HydrophobicContact CG2-CB 4.03Å |
| 132 | L | 92.3 | Very high | 88.1 | Confident | 28 Ų | 28 | 29 Ų | 29 | 15% | 0.147 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 130.1 | 174.2 | -175.3 | 65.9 | 0 | 0 | 0 | 111.5 | V74 W84 L115 E217 S219 | V74-L132 HydrophobicContact CG1-CD1 3.71Å; V74-L132 HydrophobicContact CG1-CD2 4.03Å; V74-L132 HydrophobicContact CG2-CD1 4.25Å; V74-L132 HydrophobicContact CG2-CD2 3.96Å; W84-L132 HydrophobicContact CH2-CD1 4.26Å; L115-L132 HydrophobicContact CD1-CB 4.11Å; L115-L132 HydrophobicContact CD1-CD1 4.26Å; L132-E217 PolarHBondContact N-O 3.24Å; L132-S219 PolarHBondContact O-N 3.27Å; L132-S219 PolarHBondContact O-OG 2.82Å |
| 133 | I | 94 | Very high | 88.5 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 127.8 | -174.6 | -48.6 | -166.3 | 0 | 0 | 0 | 110.2 | S114 V116 I131 I137 L190 F192 L200 S219 L249 | S114-I133 PolarHBondContact N-O 3.04Å; S114-I133 PolarHBondContact O-N 3.04Å; V116-I133 HydrophobicContact CB-CD1 4.49Å; V116-I133 HydrophobicContact CG2-CD1 3.6Å; V116-I133 HydrophobicContact CG2-CG1 4.41Å; I131-I133 HydrophobicContact CG2-CD1 4.46Å; I131-I133 HydrophobicContact CG2-CG1 4.18Å; I133-I137 HydrophobicContact CB-CD1 4.38Å; I133-I137 HydrophobicContact CD1-CD1 4.02Å; I133-I137 HydrophobicContact CG2-CD1 4.41Å; I133-L190 HydrophobicContact CD1-CD1 3.52Å; I133-L190 HydrophobicContact CG2-CD1 4.42Å; I133-F192 HydrophobicContact CG2-CE1 3.9Å; I133-F192 HydrophobicContact CG2-CZ 4.05Å; I133-L200 HydrophobicContact CD1-CD1 4.13Å; I133-L200 HydrophobicContact CD1-CD2 3.74Å; I133-S219 WeakPolarHBondContact CA-OG 3.33Å; I133-L249 HydrophobicContact CG2-CD2 3.82Å |
| 134 | N | 89.5 | Confident | 88.2 | Confident | 105 Ų | 105 | 27.8 Ų | 27.8 | 56% | 0.561 | 16% | 0.155 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 121.2 | 172.8 | -70.7 | -53.8 | 0 | 0 | 0 | 109.9 | ||
| 135 | G | 90.1 | Very high | 87.5 | Confident | 10 Ų | 10 | 27.5 Ų | 27.5 | 10% | 0.103 | 15% | 0.15 | C | C | . | . | S | Bend | trans | 115.4 | 131.9 | -170.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | N112 S114 I137 | N112-G135 CarbonylContact O-C 3.56Å; N112-G135 WeakPolarHBondContact O-CA 3.4Å; N112-G135 PolarHBondContact O-N 3.11Å; S114-G135 PolarHBondContact OG-O 3.25Å; G135-I137 PolarHBondContact O-N 3.29Å |
| 136 | A | 92.5 | Very high | 86.3 | Confident | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.008 | 15% | 0.152 | C | C | . | . | trans | -70.5 | 120.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | V107 N112 S114 F192 Q193 | V107-A136 HydrophobicContact CG1-CB 3.66Å; N112-A136 WeakPolarHBondContact OD1-CB 3.3Å; N112-A136 PolarHBondContact OD1-N 2.78Å; S114-A136 WeakPolarHBondContact OG-CA 3.41Å; A136-F192 CarbonylContact O-C 3.54Å; A136-F192 WeakPolarHBondContact O-CA 3.4Å; A136-Q193 HydrophobicContact CB-CB 4.08Å; A136-Q193 PolarHBondContact O-N 3.48Å | ||
| 137 | I | 95.5 | Very high | 84.4 | Confident | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 126.6 | -177.5 | -66 | 167.1 | 0 | 0 | 0 | 110.6 | S87 V105 V107 S114 V116 I133 G135 S139 L190 F192 | S87-I137 PolarHBondContact OG-O 2.54Å; S87-I137 VanDerWaalsContact OG-O 3.13Å; V105-I137 HydrophobicContact CG1-CB 3.84Å; V105-I137 HydrophobicContact CG1-CD1 4.34Å; V105-I137 HydrophobicContact CG1-CG2 3.93Å; V107-I137 WeakPolarHBondContact CG2-O 3.48Å; S114-I137 WeakPolarHBondContact OG-CG1 3.46Å; S114-I137 PolarHBondContact OG-N 2.87Å; V116-I137 HydrophobicContact CG2-CD1 4.01Å; I133-I137 HydrophobicContact CB-CD1 4.38Å; I133-I137 HydrophobicContact CD1-CD1 4.02Å; I133-I137 HydrophobicContact CG2-CD1 4.41Å; G135-I137 PolarHBondContact O-N 3.29Å; I137-S139 WeakPolarHBondContact CG2-O 3.44Å; I137-L190 HydrophobicContact CD1-CD1 3.96Å; I137-L190 HydrophobicContact CD1-CD2 4.24Å; I137-F192 HydrophobicContact CD1-CE1 4.26Å; I137-F192 HydrophobicContact CG1-CD1 3.81Å; I137-F192 HydrophobicContact CG1-CE1 3.57Å; I137-F192 HydrophobicContact CG1-CZ 4.27Å |
| 138 | T | 93.8 | Very high | 82.1 | Confident | 42 Ų | 42 | 30.4 Ų | 30.4 | 26% | 0.258 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | -18.1 | -176.5 | 53.4 | 0 | 0 | 0 | 0 | 113.6 | G191 F192 Q193 V282 | T138-G191 PolarHBondContact N-O 3.09Å; T138-G191 PolarHBondContact OG1-O 2.95Å; T138-F192 VanDerWaalsContact OG1-C 3.26Å; T138-F192 PolarHBondContact OG1-O 3.14Å; T138-Q193 HydrophobicContact CG2-CB 4.08Å; T138-V282 PolarHBondContact OG1-N 3.12Å; T138-V282 PolarHBondContact OG1-O 2.97Å; T138-V282 VanDerWaalsContact OG1-O 3.08Å |
| 139 | S | 94.1 | Very high | 79.6 | Confident | 5 Ų | 5 | 31.6 Ų | 31.6 | 4% | 0.035 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 145.9 | 171 | 43.7 | 0 | 0 | 0 | 0 | 111.4 | I137 G191 V282 | I137-S139 WeakPolarHBondContact CG2-O 3.44Å; S139-G191 PolarHBondContact N-O 3.48Å; S139-G191 PolarHBondContact O-N 2.98Å; S139-G191 WeakPolarHBondContact OG-CA 3.48Å; S139-V282 VanDerWaalsContact OG-CG1 3.26Å; S139-V282 WeakPolarHBondContact OG-CG1 3.44Å; S139-V282 PolarHBondContact OG-O 2.8Å |
| 140 | L | 94.8 | Very high | 76.8 | Confident | 6 Ų | 6 | 37.5 Ų | 37.5 | 3% | 0.031 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 135.5 | 179.7 | -179.3 | 67.9 | 0 | 0 | 0 | 107.7 | K88 I90 A103 V105 F188 L190 | K88-L140 HydrophobicContact CG-CB 4.28Å; I90-L140 HydrophobicContact CD1-CB 4.48Å; I90-L140 HydrophobicContact CD1-CD2 3.56Å; I90-L140 HydrophobicContact CD1-CG 3.71Å; I90-L140 HydrophobicContact CG1-CD2 3.9Å; A103-L140 HydrophobicContact CB-CD2 4.22Å; V105-L140 HydrophobicContact CG2-CB 4.19Å; V105-L140 HydrophobicContact CG2-CD2 3.59Å; V105-L140 HydrophobicContact CG2-CG 4.35Å; L140-F188 HydrophobicContact CD1-CB 3.66Å; L140-F188 HydrophobicContact CD1-CD1 3.58Å; L140-F188 HydrophobicContact CD1-CD2 4.43Å; L140-F188 HydrophobicContact CD1-CE1 4.34Å; L140-F188 HydrophobicContact CD1-CG 3.66Å; L140-F188 HydrophobicContact CD2-CD1 4.28Å; L140-F188 HydrophobicContact CD2-CE1 4.24Å; L140-F188 HydrophobicContact CG-CD1 3.94Å; L140-F188 HydrophobicContact CG-CE1 4.35Å; L140-F188 HydrophobicContact CG-CG 4.49Å; L140-L190 HydrophobicContact CD1-CD2 3.38Å |
| 141 | E | 93.7 | Very high | 73.8 | Confident | 49 Ų | 49 | 47 Ų | 47 | 23% | 0.229 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 137.6 | 174.9 | 174.3 | 70.1 | 140.6 | 0 | 0 | 109.8 | F188 A189 L285 S286 Y287 | E141-F188 CarbonylContact O-C 3.51Å; E141-F188 WeakPolarHBondContact O-CA 3.4Å; E141-A189 HydrophobicContact CB-CB 4.49Å; E141-A189 PolarHBondContact N-O 2.91Å; E141-A189 PolarHBondContact O-N 3.17Å; E141-L285 HydrophobicContact CB-CB 4.4Å; E141-L285 HydrophobicContact CB-CD2 4.18Å; E141-L285 HydrophobicContact CB-CG 4.05Å; E141-S286 WeakPolarHBondContact OE1-CA 3.27Å; E141-Y287 PolarHBondContact OE1-N 2.94Å |
| 142 | W | 91.6 | Very high | 70.8 | Confident | 31 Ų | 31 | 52.1 Ų | 52.1 | 12% | 0.117 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 134.3 | 178.4 | 174.6 | -119.3 | 0 | 0 | 0 | 111.2 | V92 N93 T94 P144 G186 F188 M202 L204 | V92-W142 HydrophobicContact CG1-CD2 3.61Å; V92-W142 HydrophobicContact CG1-CE3 4.05Å; V92-W142 HydrophobicContact CG1-CG 3.94Å; V92-W142 HydrophobicContact CG1-CH2 4.34Å; V92-W142 HydrophobicContact CG1-CZ2 3.93Å; V92-W142 HydrophobicContact CG1-CZ3 4.39Å; N93-W142 PolarHBondContact O-NE1 3.41Å; N93-W142 VanDerWaalsContact O-NE1 3.15Å; T94-W142 HydrophobicContact CG2-CZ2 4.44Å; W142-P144 VanDerWaalsContact O-CD 3.25Å; W142-P144 WeakPolarHBondContact O-CD 3.42Å; W142-G186 VanDerWaalsContact CH2-CA 3.48Å; W142-F188 HydrophobicContact CB-CD1 4.19Å; W142-F188 HydrophobicContact CB-CE1 3.97Å; W142-F188 HydrophobicContact CD2-CE1 4.23Å; W142-F188 AromaticContact CE3-CD1 3.78Å; W142-F188 HydrophobicContact CE3-CD1 3.78Å; W142-F188 HydrophobicContact CE3-CD2 4.42Å; W142-F188 AromaticContact CE3-CE1 3.52Å; W142-F188 HydrophobicContact CE3-CE1 3.52Å; W142-F188 HydrophobicContact CE3-CE2 4.21Å; W142-F188 HydrophobicContact CE3-CG 4.21Å; W142-F188 AromaticContact CE3-CZ 3.75Å; W142-F188 HydrophobicContact CE3-CZ 3.75Å; W142-F188 HydrophobicContact CG-CE1 4.45Å; W142-F188 HydrophobicContact CZ3-CE1 4.37Å; W142-F188 HydrophobicContact CZ3-CE2 4.28Å; W142-F188 HydrophobicContact CZ3-CZ 4.18Å; W142-M202 HydrophobicContact CZ3-CG 4.43Å; W142-L204 HydrophobicContact CH2-CD1 3.71Å; W142-L204 HydrophobicContact CZ3-CD1 4.5Å |
| 143 | L | 89.2 | Confident | 67.6 | Low | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.005 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 92 | 176.5 | -72.8 | 84.9 | 0 | 0 | 0 | 108.3 | L145 L181 C187 A189 L199 Y287 L308 | L143-L145 PolarHBondContact O-N 2.79Å; L143-L181 HydrophobicContact CB-CD1 4.32Å; L143-L181 HydrophobicContact CB-CD2 4.35Å; L143-L181 HydrophobicContact CD2-CD1 4.01Å; L143-L181 HydrophobicContact CD2-CD2 3.58Å; L143-L181 HydrophobicContact CD2-CG 4.44Å; L143-C187 HydrophobicContact CB-CB 4.15Å; L143-C187 PolarHBondContact N-O 2.8Å; L143-A189 HydrophobicContact CD1-CB 3.51Å; L143-L199 HydrophobicContact CD2-CD2 4.31Å; L143-Y287 HydrophobicContact CB-CD1 4.4Å; L143-Y287 HydrophobicContact CD2-CD2 4.06Å; L143-Y287 HydrophobicContact CD2-CE2 4.41Å; L143-Y287 HydrophobicContact CD2-CG 4.19Å; L143-Y287 HydrophobicContact CG-CD1 4.09Å; L143-Y287 HydrophobicContact CG-CD2 4.29Å; L143-Y287 HydrophobicContact CG-CG 3.9Å; L143-L308 HydrophobicContact CD2-CD1 3.37Å |
| 144 | P | 71.9 | Confident | 64.5 | Low | 58 Ų | 58 | 64.8 Ų | 64.8 | 38% | 0.377 | 38% | 0.376 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 126.8 | 176.3 | 25.8 | -33.6 | 0 | 0 | 0 | 109.3 | W142 I146 | W142-P144 VanDerWaalsContact O-CD 3.25Å; W142-P144 WeakPolarHBondContact O-CD 3.42Å; P144-I146 PolarHBondContact O-N 2.88Å |
| 145 | L | 62.9 | Low | 61.6 | Low | 60 Ų | 60 | 65.3 Ų | 65.3 | 31% | 0.314 | 39% | 0.388 | S | S | . | . | P | Polyproline II helix | trans | -58.5 | 135 | 167.8 | -88.1 | 85.6 | 0 | 0 | 0 | 108.9 | L143 D147 F184 | L143-L145 PolarHBondContact O-N 2.79Å; L145-D147 PolarHBondContact O-N 2.93Å; L145-F184 WeakPolarHBondContact CD2-O 3.26Å |
| 146 | I | 52.7 | Low | 58.6 | Low | 53 Ų | 53 | 74.1 Ų | 74.1 | 27% | 0.272 | 43% | 0.426 | S | S | . | . | P | Polyproline II helix | trans | -68.9 | 117.5 | 170.2 | -59.3 | 167.3 | 0 | 0 | 0 | 105.9 | P144 I148 Y401 | P144-I146 PolarHBondContact O-N 2.88Å; I146-I148 HydrophobicContact CB-CG1 4.34Å; I146-I148 HydrophobicContact CG2-CG1 3.92Å; I146-I148 PolarHBondContact O-N 3.28Å; I146-Y401 HydrophobicContact CD1-CE1 4.46Å |
| 147 | D | 41.7 | Very low | 55.6 | Low | 75 Ų | 75 | 79.6 Ų | 79.6 | 40% | 0.401 | 46% | 0.464 | S | S | . | . | trans | -65.4 | 72.2 | 176.1 | -86.6 | -6.4 | 0 | 0 | 0 | 110.8 | S95 L145 G149 K394 | S95-D147 WeakPolarHBondContact CB-OD1 3.29Å; S95-D147 WeakPolarHBondContact CB-OD2 3.46Å; S95-D147 PolarHBondContact OG-OD1 3.24Å; L145-D147 PolarHBondContact O-N 2.93Å; D147-G149 PolarHBondContact O-N 3.36Å; D147-K394 IonicContact OD2-NZ 3.68Å; D147-K394 PolarHBondContact OD2-NZ 3.08Å | ||
| 148 | I | 35.1 | Very low | 52.3 | Low | 65 Ų | 65 | 87.9 Ų | 87.9 | 33% | 0.333 | 51% | 0.505 | S | S | . | . | trans | -73.4 | 85.2 | 170.7 | -60.1 | 175.4 | 0 | 0 | 0 | 106.3 | I146 C150 T176 | I146-I148 HydrophobicContact CB-CG1 4.34Å; I146-I148 HydrophobicContact CG2-CG1 3.92Å; I146-I148 PolarHBondContact O-N 3.28Å; I148-C150 PolarHBondContact O-N 3.43Å; I148-T176 HydrophobicContact CG2-CG2 3.51Å | ||
| 149 | G | 29.2 | Very low | 49.3 | Very low | 72 Ų | 72 | 93.6 Ų | 93.6 | 74% | 0.742 | 53% | 0.534 | S | S | * | . | trans | -39.8 | 91.3 | -161.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | D147 K151 | D147-G149 PolarHBondContact O-N 3.36Å; G149-K151 PolarHBondContact O-N 2.94Å | ||
| 150 | C | 27.6 | Very low | 46 | Very low | 126 Ų | 126 | 98.3 Ų | 98.3 | 85% | 0.851 | 57% | 0.567 | S | S | * | * | trans | -62.7 | 127 | 161.3 | -76.9 | 0 | 0 | 0 | 0 | 108.3 | I148 S152 | I148-C150 PolarHBondContact O-N 3.43Å; C150-S152 PolarHBondContact O-N 2.78Å | ||
| 151 | K | 27.1 | Very low | 43 | Very low | 200 Ų | 200 | 104.2 Ų | 104.2 | 87% | 0.87 | 60% | 0.604 | S | S | * | * | trans | -62.2 | 135.2 | 163 | -65.4 | -178.3 | 177.6 | -176.3 | 0 | 107.5 | G149 S153 | G149-K151 PolarHBondContact O-N 2.94Å; K151-S153 PolarHBondContact O-N 2.88Å | ||
| 152 | S | 26.5 | Very low | 39.8 | Very low | 106 Ų | 106 | 109.7 Ų | 109.7 | 74% | 0.741 | 63% | 0.631 | S | S | * | * | trans | -59 | 110.3 | 163.9 | 46.7 | 0 | 0 | 0 | 0 | 108.5 | C150 E154 | C150-S152 PolarHBondContact O-N 2.78Å; S152-E154 VanDerWaalsContact C-N 3.33Å; S152-E154 PolarHBondContact O-N 3.24Å | ||
| 153 | S | 26.8 | Very low | 36.9 | Very low | 116 Ų | 116 | 116.1 Ų | 116.1 | 81% | 0.811 | 67% | 0.668 | S | S | * | * | trans | -71.4 | 93.8 | 166.5 | 51.5 | 0 | 0 | 0 | 0 | 107.8 | K151 S155 | K151-S153 PolarHBondContact O-N 2.88Å; S153-S155 PolarHBondContact O-N 2.79Å | ||
| 154 | E | 27.6 | Very low | 34.1 | Very low | 179 Ų | 179 | 122.4 Ų | 122.4 | 84% | 0.836 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 124.6 | 170.3 | -67.8 | -178.9 | 134 | 0 | 0 | 108.7 | S152 | S152-E154 VanDerWaalsContact C-N 3.33Å; S152-E154 PolarHBondContact O-N 3.24Å |
| 155 | S | 29.6 | Very low | 32.2 | Very low | 115 Ų | 115 | 126.3 Ų | 126.3 | 80% | 0.804 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 141.1 | 179.1 | 42.5 | 0 | 0 | 0 | 0 | 110.2 | S153 S157 | S153-S155 PolarHBondContact O-N 2.79Å; S155-S157 PolarHBondContact O-N 2.91Å |
| 156 | H | 26.8 | Very low | 30.6 | Very low | 196 Ų | 196 | 130.2 Ų | 130.2 | 91% | 0.907 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 126.3 | -173.1 | -63.2 | -78.9 | 0 | 0 | 0 | 113 | ||
| 157 | S | 28.6 | Very low | 29.6 | Very low | 115 Ų | 115 | 136.4 Ų | 136.4 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | trans | -113.6 | 143.7 | 142.9 | 65.9 | 0 | 0 | 0 | 0 | 108.3 | S155 | S155-S157 PolarHBondContact O-N 2.91Š| ||
| 158 | M | 26.1 | Very low | 28.9 | Very low | 176 Ų | 176 | 139.3 Ų | 139.3 | 87% | 0.867 | 79% | 0.787 | S | S | * | * | trans | -81 | 140.1 | -172.7 | -72.9 | -174.7 | 158.2 | 0 | 0 | 112.1 | ||||
| 159 | N | 31.2 | Very low | 28.6 | Very low | 162 Ų | 162 | 141.9 Ų | 141.9 | 87% | 0.866 | 81% | 0.806 | S | S | * | * | -163.5 | 160.3 | 122.4 | -95.1 | -36.2 | 0 | 0 | 0 | 112 | |||||
| 160 | S | 25.8 | Very low | 28.6 | Very low | 104 Ų | 104 | 143.9 Ų | 143.9 | 73% | 0.727 | 81% | 0.809 | S | S | * | * | trans | -63.4 | 155.9 | 176.3 | 51.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 161 | T | 32 | Very low | 28.7 | Very low | 130 Ų | 130 | 146.2 Ų | 146.2 | 80% | 0.798 | 80% | 0.804 | S | S | * | * | -158.3 | 159 | 53 | -53.7 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 162 | M | 26 | Very low | 28.8 | Very low | 164 Ų | 164 | 139.5 Ų | 139.5 | 81% | 0.808 | 79% | 0.793 | S | S | * | * | trans | -66.9 | 144.6 | 173.6 | -56 | -164.1 | -51.5 | 0 | 0 | 111.7 | ||||
| 163 | D | 31.1 | Very low | 28.9 | Very low | 165 Ų | 165 | 140.2 Ų | 140.2 | 88% | 0.882 | 79% | 0.792 | S | S | * | * | trans | -149.7 | 159.9 | 134.3 | -130.8 | -29.9 | 0 | 0 | 0 | 111 | ||||
| 164 | I | 29.7 | Very low | 29.2 | Very low | 133 Ų | 133 | 141.6 Ų | 141.6 | 68% | 0.682 | 79% | 0.791 | S | S | * | * | trans | -114.1 | 128.2 | -167.5 | -63.2 | 168.6 | 0 | 0 | 0 | 111 | ||||
| 165 | T | 31.6 | Very low | 29.8 | Very low | 141 Ų | 141 | 140.4 Ų | 140.4 | 87% | 0.865 | 78% | 0.783 | S | S | * | * | trans | -171 | 150.5 | 145.1 | 8.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 166 | D | 29.2 | Very low | 30.5 | Very low | 141 Ų | 141 | 138.7 Ų | 138.7 | 75% | 0.754 | 77% | 0.768 | S | S | * | * | trans | -81.3 | 141.6 | -177.3 | -48.2 | -93.9 | 0 | 0 | 0 | 114.4 | ||||
| 167 | Q | 32 | Very low | 31.6 | Very low | 183 Ų | 183 | 130.6 Ų | 130.6 | 86% | 0.855 | 73% | 0.731 | S | S | * | * | trans | -157.6 | 101 | 140.3 | -125.4 | 145.3 | 106.1 | 0 | 0 | 114.5 | T169 | Q167-T169 PolarHBondContact O-N 2.73Š| ||
| 168 | D | 28.1 | Very low | 33.1 | Very low | 136 Ų | 136 | 127.7 Ų | 127.7 | 73% | 0.727 | 71% | 0.711 | S | S | * | * | trans | -79.4 | 94.7 | 172.8 | -152.6 | -9.1 | 0 | 0 | 0 | 109.4 | ||||
| 169 | T | 27.9 | Very low | 35.3 | Very low | 119 Ų | 119 | 119.5 Ų | 119.5 | 73% | 0.73 | 67% | 0.671 | S | S | * | * | trans | -156 | 53.8 | 177.2 | -14.9 | 0 | 0 | 0 | 0 | 116.9 | Q167 | Q167-T169 PolarHBondContact O-N 2.73Š| ||
| 170 | S | 28.9 | Very low | 37.8 | Very low | 114 Ų | 114 | 111.9 Ų | 111.9 | 80% | 0.797 | 63% | 0.63 | S | S | * | * | trans | -152.7 | 46.5 | 163.1 | 55.9 | 0 | 0 | 0 | 0 | 115.8 | G172 | S170-G172 PolarHBondContact O-N 2.8Š| ||
| 171 | K | 29.4 | Very low | 40.6 | Very low | 175 Ų | 175 | 107.2 Ų | 107.2 | 76% | 0.761 | 60% | 0.597 | S | S | * | * | trans | -72.9 | 54.6 | 164.4 | -76.5 | 175.8 | -179.3 | 152.6 | 0 | 112.4 | T173 | K171-T173 PolarHBondContact O-N 2.92Å; K171-T173 VanDerWaalsContact O-N 3.15Å | ||
| 172 | G | 29.1 | Very low | 43.1 | Very low | 60 Ų | 60 | 104.3 Ų | 104.3 | 62% | 0.619 | 58% | 0.582 | S | S | * | * | trans | -66.4 | 105.3 | 158.7 | 0 | 0 | 0 | 0 | 0 | 107.7 | S170 N174 | S170-G172 PolarHBondContact O-N 2.8Å; G172-N174 PolarHBondContact O-N 3.21Å | ||
| 173 | T | 30 | Very low | 46.1 | Very low | 120 Ų | 120 | 96.8 Ų | 96.8 | 74% | 0.736 | 55% | 0.545 | S | S | * | . | trans | -74 | 80.8 | -177.1 | 56.1 | 0 | 0 | 0 | 0 | 110.3 | K171 K175 | K171-T173 PolarHBondContact O-N 2.92Å; K171-T173 VanDerWaalsContact O-N 3.15Å; T173-K175 VanDerWaalsContact C-N 3.35Å; T173-K175 PolarHBondContact O-N 2.89Å | ||
| 174 | N | 32.4 | Very low | 48.8 | Very low | 145 Ų | 145 | 89.2 Ų | 89.2 | 78% | 0.775 | 50% | 0.504 | S | S | * | . | trans | -54.1 | 104 | 159.3 | -75.3 | -6.8 | 0 | 0 | 0 | 106.8 | G172 T176 | G172-N174 PolarHBondContact O-N 3.21Å; N174-T176 PolarHBondContact O-N 3.15Å | ||
| 175 | K | 40.2 | Very low | 51.5 | Low | 154 Ų | 154 | 84.9 Ų | 84.9 | 67% | 0.67 | 48% | 0.482 | S | S | * | . | trans | -71.6 | 81.3 | 171.7 | -76.7 | -176.1 | 176.4 | 178 | 0 | 107.7 | T173 L177 | T173-K175 VanDerWaalsContact C-N 3.35Å; T173-K175 PolarHBondContact O-N 2.89Å; K175-L177 PolarHBondContact O-N 3.07Å | ||
| 176 | T | 44 | Very low | 54 | Low | 80 Ų | 80 | 78.3 Ų | 78.3 | 49% | 0.491 | 44% | 0.443 | S | S | . | . | trans | -51.6 | 113.8 | 167.6 | 56.3 | 0 | 0 | 0 | 0 | 107.3 | I148 N174 S178 | I148-T176 HydrophobicContact CG2-CG2 3.51Å; N174-T176 PolarHBondContact O-N 3.15Å; T176-S178 PolarHBondContact O-N 3.07Å | ||
| 177 | L | 50.3 | Low | 57 | Low | 25 Ų | 25 | 71.6 Ų | 71.6 | 13% | 0.131 | 41% | 0.407 | C | S | . | . | trans | -68.8 | 86.6 | 174.5 | -94.3 | 163.4 | 0 | 0 | 0 | 107.9 | K175 S179 L390 Y401 | K175-L177 PolarHBondContact O-N 3.07Å; L177-S179 PolarHBondContact O-N 3.28Å; L177-L390 HydrophobicContact CD1-CD1 4.28Å; L177-L390 HydrophobicContact CD1-CD2 4.18Å; L177-Y401 HydrophobicContact CD1-CD1 3.7Å; L177-Y401 HydrophobicContact CD1-CD2 3.45Å; L177-Y401 VanDerWaalsContact CD1-CD2 3.45Å; L177-Y401 HydrophobicContact CD1-CE1 3.93Å; L177-Y401 HydrophobicContact CD1-CE2 3.69Å; L177-Y401 HydrophobicContact CD1-CG 3.45Å; L177-Y401 VanDerWaalsContact CD1-CG 3.45Å | ||
| 178 | S | 59.1 | Low | 60 | Low | 55 Ų | 55 | 62.9 Ų | 62.9 | 39% | 0.385 | 37% | 0.366 | S | S | . | . | trans | -57.4 | 107.7 | 174.2 | -154.8 | 0 | 0 | 0 | 0 | 107 | T176 F231 | T176-S178 PolarHBondContact O-N 3.07Å; S178-F231 VanDerWaalsContact OG-CE2 3.3Å; S178-F231 WeakPolarHBondContact OG-CE2 3.41Å; S178-F231 WeakPolarHBondContact OG-CZ 3.36Å | ||
| 179 | S | 73.2 | Confident | 63.2 | Low | 4 Ų | 4 | 56.4 Ų | 56.4 | 3% | 0.028 | 33% | 0.332 | C | S | . | . | trans | -121.8 | 144.6 | 177.7 | 174.6 | 0 | 0 | 0 | 0 | 107.1 | L177 L181 S182 F231 | L177-S179 PolarHBondContact O-N 3.28Å; S179-L181 PolarHBondContact O-N 3.34Å; S179-L181 PolarHBondContact OG-N 2.92Å; S179-S182 WeakPolarHBondContact O-CB 3.45Å; S179-S182 PolarHBondContact O-N 2.82Å; S179-S182 PolarHBondContact O-OG 2.93Å; S179-F231 WeakPolarHBondContact O-CE2 3.25Å | ||
| 180 | V | 83.4 | Confident | 66.5 | Low | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.006 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -54.6 | -25.2 | 177 | 176 | 0 | 0 | 0 | 0 | 111.6 | S182 I183 F184 C227 L228 F231 L308 D309 L311 | V180-S182 PolarHBondContact O-N 2.84Å; V180-S182 VanDerWaalsContact O-N 3.09Å; V180-I183 WeakPolarHBondContact O-CG1 3.46Å; V180-I183 PolarHBondContact O-N 3.47Å; V180-F184 HydrophobicContact CG1-CE2 4.11Å; V180-F184 WeakPolarHBondContact O-CD2 3.28Å; V180-C227 VanDerWaalsContact CG1-SG 3.56Å; V180-L228 HydrophobicContact CG2-CD2 4.09Å; V180-F231 HydrophobicContact CB-CG 4.4Å; V180-F231 HydrophobicContact CG2-CB 4.28Å; V180-F231 HydrophobicContact CG2-CD1 3.56Å; V180-F231 HydrophobicContact CG2-CD2 4.32Å; V180-F231 HydrophobicContact CG2-CE1 3.84Å; V180-F231 HydrophobicContact CG2-CG 3.81Å; V180-F231 HydrophobicContact CG2-CZ 4.33Å; V180-L308 WeakPolarHBondContact CB-O 3.09Å; V180-L308 VanDerWaalsContact CG2-O 3.24Å; V180-L308 WeakPolarHBondContact CG2-O 3.48Å; V180-D309 WeakPolarHBondContact CG2-O 3.49Å; V180-L311 HydrophobicContact CB-CD2 4.33Å; V180-L311 HydrophobicContact CG1-CD1 4.27Å; V180-L311 HydrophobicContact CG1-CD2 4.03Å; V180-L311 HydrophobicContact CG1-CG 4.22Å; V180-L311 HydrophobicContact CG2-CG 4.3Å |
| 181 | L | 85.2 | Confident | 69.7 | Low | 6 Ų | 6 | 45.3 Ų | 45.3 | 3% | 0.031 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -60.6 | -16.2 | 173.8 | -56.8 | 178.2 | 0 | 0 | 0 | 114.7 | L143 S179 I183 F184 Y287 L308 | L143-L181 HydrophobicContact CB-CD1 4.32Å; L143-L181 HydrophobicContact CB-CD2 4.35Å; L143-L181 HydrophobicContact CD2-CD1 4.01Å; L143-L181 HydrophobicContact CD2-CD2 3.58Å; L143-L181 HydrophobicContact CD2-CG 4.44Å; S179-L181 PolarHBondContact O-N 3.34Å; S179-L181 PolarHBondContact OG-N 2.92Å; L181-I183 PolarHBondContact O-N 2.76Å; L181-F184 PolarHBondContact O-N 2.83Å; L181-Y287 HydrophobicContact CD1-CE1 4.43Å; L181-Y287 HydrophobicContact CD1-CE2 4.18Å; L181-Y287 WeakPolarHBondContact CD1-OH 3.43Å; L181-L308 HydrophobicContact CD1-CD1 4.36Å; L181-L308 HydrophobicContact CD2-CD1 4.27Å |
| 182 | S | 84.5 | Confident | 72.8 | Confident | 69 Ų | 69 | 37.2 Ų | 37.2 | 48% | 0.483 | 22% | 0.224 | S | C | . | . | G | 310 helix | trans | -80 | 5 | 179.4 | 81.2 | 0 | 0 | 0 | 0 | 114.7 | S179 V180 | S179-S182 WeakPolarHBondContact O-CB 3.45Å; S179-S182 PolarHBondContact O-N 2.82Å; S179-S182 PolarHBondContact O-OG 2.93Å; V180-S182 PolarHBondContact O-N 2.84Å; V180-S182 VanDerWaalsContact O-N 3.09Å |
| 183 | I | 87.9 | Confident | 75.8 | Confident | 7 Ų | 7 | 37.5 Ų | 37.5 | 4% | 0.036 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -107.6 | -1.8 | 170 | 74.4 | 178.1 | 0 | 0 | 0 | 113.3 | V180 L181 C227 C230 F231 Q235 P236 I237 | V180-I183 WeakPolarHBondContact O-CG1 3.46Å; V180-I183 PolarHBondContact O-N 3.47Å; L181-I183 PolarHBondContact O-N 2.76Å; I183-C227 WeakPolarHBondContact CD1-O 3.44Å; I183-C230 HydrophobicContact CD1-CB 3.82Å; I183-F231 HydrophobicContact CD1-CB 4.23Å; I183-F231 HydrophobicContact CG2-CB 4.33Å; I183-F231 HydrophobicContact CG2-CD2 4.41Å; I183-Q235 VanDerWaalsContact CB-O 3.3Å; I183-Q235 WeakPolarHBondContact CB-O 3.45Å; I183-Q235 WeakPolarHBondContact CG2-O 3.21Å; I183-P236 WeakPolarHBondContact O-CA 3.49Å; I183-I237 HydrophobicContact CD1-CB 3.84Å; I183-I237 HydrophobicContact CD1-CD1 4.39Å; I183-I237 HydrophobicContact CD1-CG1 4.41Å; I183-I237 HydrophobicContact CG1-CB 3.96Å; I183-I237 HydrophobicContact CG1-CG2 4.35Å; I183-I237 PolarHBondContact O-N 2.85Å |
| 184 | F | 88.8 | Confident | 78.7 | Confident | 6 Ų | 6 | 34.1 Ų | 34.1 | 3% | 0.026 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -101.4 | 146.7 | 176.5 | -66.4 | -107.1 | 0 | 0 | 0 | 108.8 | L145 V180 L181 C187 L199 D201 I237 V250 | L145-F184 WeakPolarHBondContact CD2-O 3.26Å; V180-F184 HydrophobicContact CG1-CE2 4.11Å; V180-F184 WeakPolarHBondContact O-CD2 3.28Å; L181-F184 PolarHBondContact O-N 2.83Å; F184-C187 HydrophobicContact CB-CB 3.94Å; F184-C187 HydrophobicContact CD1-CB 4.16Å; F184-C187 HydrophobicContact CG-CB 4.19Å; F184-L199 HydrophobicContact CE1-CB 4.09Å; F184-L199 HydrophobicContact CZ-CB 4.21Å; F184-D201 HydrophobicContact CD1-CB 3.71Å; F184-D201 HydrophobicContact CE1-CB 4.27Å; F184-I237 HydrophobicContact CD1-CG2 4.04Å; F184-I237 HydrophobicContact CD2-CG2 4.41Å; F184-I237 HydrophobicContact CE1-CD1 4.41Å; F184-I237 HydrophobicContact CE1-CG2 4.07Å; F184-I237 HydrophobicContact CE2-CD1 4.44Å; F184-I237 HydrophobicContact CE2-CG2 4.43Å; F184-I237 HydrophobicContact CG-CG2 4.21Å; F184-I237 HydrophobicContact CZ-CD1 3.92Å; F184-I237 HydrophobicContact CZ-CG2 4.26Å; F184-V250 HydrophobicContact CZ-CG2 4.2Å |
| 185 | D | 85.7 | Confident | 81.6 | Confident | 41 Ų | 41 | 27.3 Ų | 27.3 | 22% | 0.219 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -108.3 | 72.2 | 179.1 | -179.7 | 19.5 | 0 | 0 | 0 | 110.3 | D201 M202 C203 L204 T205 | D185-D201 PolarHBondContact N-OD1 2.93Å; D185-M202 CarbonylContact O-C 3.52Å; D185-C203 PolarHBondContact O-N 2.71Å; D185-C203 VanDerWaalsContact O-N 3.09Å; D185-L204 VanDerWaalsContact CG-N 3.33Å; D185-L204 WeakPolarHBondContact O-CG 3.2Å; D185-L204 PolarHBondContact O-N 3.38Å; D185-L204 PolarHBondContact OD2-N 3.1Å; D185-T205 WeakPolarHBondContact OD2-CA 3.43Å; D185-T205 VanDerWaalsContact OD2-CB 3.28Å; D185-T205 WeakPolarHBondContact OD2-CB 3.38Å; D185-T205 PolarHBondContact OD2-N 2.84Å; D185-T205 PolarHBondContact OD2-OG1 2.94Å |
| 186 | G | 85.3 | Confident | 84.2 | Confident | 4 Ų | 4 | 21.2 Ų | 21.2 | 4% | 0.041 | 12% | 0.124 | C | C | . | . | S | Bend | trans | 81.2 | 133.9 | -160.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | W142 M202 | W142-G186 VanDerWaalsContact CH2-CA 3.48Å; G186-M202 WeakPolarHBondContact O-CB 3.45Å; G186-M202 PolarHBondContact O-N 2.93Å |
| 187 | C | 91.2 | Very high | 86.7 | Confident | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 135.7 | -175.3 | -174.8 | 0 | 0 | 0 | 0 | 112.4 | L143 F184 L200 | L143-C187 HydrophobicContact CB-CB 4.15Å; L143-C187 PolarHBondContact N-O 2.8Å; F184-C187 HydrophobicContact CB-CB 3.94Å; F184-C187 HydrophobicContact CD1-CB 4.16Å; F184-C187 HydrophobicContact CG-CB 4.19Å; C187-L200 VanDerWaalsContact CA-O 3.29Å; C187-L200 WeakPolarHBondContact CA-O 3.34Å; C187-L200 PolarHBondContact SG-O 2.79Å; C187-L200 VanDerWaalsContact SG-O 3.34Å |
| 188 | F | 94.5 | Very high | 88.8 | Confident | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 137.7 | 166 | -72.8 | -68.6 | 0 | 0 | 0 | 110.8 | I90 V92 A103 V116 L140 E141 W142 L190 L199 L200 M202 | I90-F188 HydrophobicContact CD1-CD1 4.44Å; I90-F188 HydrophobicContact CD1-CE1 3.91Å; V92-F188 HydrophobicContact CG2-CE1 4.08Å; V92-F188 HydrophobicContact CG2-CZ 3.94Å; A103-F188 HydrophobicContact CB-CE1 4.27Å; A103-F188 HydrophobicContact CB-CZ 3.73Å; V116-F188 HydrophobicContact CG1-CE2 4.48Å; L140-F188 HydrophobicContact CD1-CB 3.66Å; L140-F188 HydrophobicContact CD1-CD1 3.58Å; L140-F188 HydrophobicContact CD1-CD2 4.43Å; L140-F188 HydrophobicContact CD1-CE1 4.34Å; L140-F188 HydrophobicContact CD1-CG 3.66Å; L140-F188 HydrophobicContact CD2-CD1 4.28Å; L140-F188 HydrophobicContact CD2-CE1 4.24Å; L140-F188 HydrophobicContact CG-CD1 3.94Å; L140-F188 HydrophobicContact CG-CE1 4.35Å; L140-F188 HydrophobicContact CG-CG 4.49Å; E141-F188 CarbonylContact O-C 3.51Å; E141-F188 WeakPolarHBondContact O-CA 3.4Å; W142-F188 HydrophobicContact CB-CD1 4.19Å; W142-F188 HydrophobicContact CB-CE1 3.97Å; W142-F188 HydrophobicContact CD2-CE1 4.23Å; W142-F188 AromaticContact CE3-CD1 3.78Å; W142-F188 HydrophobicContact CE3-CD1 3.78Å; W142-F188 HydrophobicContact CE3-CD2 4.42Å; W142-F188 AromaticContact CE3-CE1 3.52Å; W142-F188 HydrophobicContact CE3-CE1 3.52Å; W142-F188 HydrophobicContact CE3-CE2 4.21Å; W142-F188 HydrophobicContact CE3-CG 4.21Å; W142-F188 AromaticContact CE3-CZ 3.75Å; W142-F188 HydrophobicContact CE3-CZ 3.75Å; W142-F188 HydrophobicContact CG-CE1 4.45Å; W142-F188 HydrophobicContact CZ3-CE1 4.37Å; W142-F188 HydrophobicContact CZ3-CE2 4.28Å; W142-F188 HydrophobicContact CZ3-CZ 4.18Å; F188-L190 HydrophobicContact CB-CD2 4.02Å; F188-L199 WeakPolarHBondContact O-CA 3.11Å; F188-L200 PolarHBondContact N-O 2.86Å; F188-L200 VanDerWaalsContact N-O 3.11Å; F188-L200 PolarHBondContact O-N 3.26Å; F188-M202 HydrophobicContact CD2-CG 3.54Å; F188-M202 HydrophobicContact CD2-SD 3.45Å; F188-M202 WeakPolarHBondContact CD2-SD 3.45Å; F188-M202 HydrophobicContact CE2-CE 4.11Å; F188-M202 HydrophobicContact CE2-CG 3.69Å; F188-M202 HydrophobicContact CE2-SD 3.52Å; F188-M202 VanDerWaalsContact CE2-SD 3.52Å |
| 189 | A | 95.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 130.1 | 160.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | E141 L143 G198 L199 L285 L294 | E141-A189 HydrophobicContact CB-CB 4.49Å; E141-A189 PolarHBondContact N-O 2.91Å; E141-A189 PolarHBondContact O-N 3.17Å; L143-A189 HydrophobicContact CD1-CB 3.51Å; A189-G198 WeakPolarHBondContact CA-O 3.5Å; A189-L199 HydrophobicContact CB-CD2 3.9Å; A189-L285 HydrophobicContact CB-CD2 3.78Å; A189-L285 HydrophobicContact CB-CG 4.29Å; A189-L285 VanDerWaalsContact O-CD2 3.28Å; A189-L285 WeakPolarHBondContact O-CD2 3.42Å; A189-L294 HydrophobicContact CB-CD1 3.77Å; A189-L294 HydrophobicContact CB-CD2 3.94Å |
| 190 | L | 97.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 127 | 179.8 | -52.7 | -174.1 | 0 | 0 | 0 | 109.1 | I133 I137 L140 F188 F192 V197 G198 L200 L249 | I133-L190 HydrophobicContact CD1-CD1 3.52Å; I133-L190 HydrophobicContact CG2-CD1 4.42Å; I137-L190 HydrophobicContact CD1-CD1 3.96Å; I137-L190 HydrophobicContact CD1-CD2 4.24Å; L140-L190 HydrophobicContact CD1-CD2 3.38Å; F188-L190 HydrophobicContact CB-CD2 4.02Å; L190-F192 HydrophobicContact CB-CD2 4.33Å; L190-F192 HydrophobicContact CB-CE2 3.59Å; L190-F192 HydrophobicContact CB-CZ 3.82Å; L190-F192 HydrophobicContact CD1-CE2 4.35Å; L190-F192 HydrophobicContact CD1-CZ 3.8Å; L190-F192 HydrophobicContact CG-CZ 4.49Å; L190-V197 CarbonylContact O-C 3.47Å; L190-V197 VanDerWaalsContact O-CA 3.3Å; L190-V197 WeakPolarHBondContact O-CA 3.35Å; L190-G198 PolarHBondContact N-O 2.89Å; L190-G198 PolarHBondContact O-N 3.3Å; L190-L200 HydrophobicContact CD1-CB 3.99Å; L190-L200 HydrophobicContact CD1-CD2 4.37Å; L190-L200 HydrophobicContact CG-CB 4.2Å; L190-L249 HydrophobicContact CD1-CD1 3.92Å |
| 191 | G | 96.5 | Very high | 92 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 122.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | T138 S139 | T138-G191 PolarHBondContact N-O 3.09Å; T138-G191 PolarHBondContact OG1-O 2.95Å; S139-G191 PolarHBondContact N-O 3.48Å; S139-G191 PolarHBondContact O-N 2.98Å; S139-G191 WeakPolarHBondContact OG-CA 3.48Å |
| 192 | F | 95.4 | Very high | 92.2 | Very high | 4 Ų | 4 | 13.9 Ų | 13.9 | 2% | 0.018 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 159.5 | -169.6 | -63.9 | -94.3 | 0 | 0 | 0 | 113.2 | I133 A136 I137 T138 L190 G195 L196 L249 Y251 V282 | I133-F192 HydrophobicContact CG2-CE1 3.9Å; I133-F192 HydrophobicContact CG2-CZ 4.05Å; A136-F192 CarbonylContact O-C 3.54Å; A136-F192 WeakPolarHBondContact O-CA 3.4Å; I137-F192 HydrophobicContact CD1-CE1 4.26Å; I137-F192 HydrophobicContact CG1-CD1 3.81Å; I137-F192 HydrophobicContact CG1-CE1 3.57Å; I137-F192 HydrophobicContact CG1-CZ 4.27Å; T138-F192 VanDerWaalsContact OG1-C 3.26Å; T138-F192 PolarHBondContact OG1-O 3.14Å; L190-F192 HydrophobicContact CB-CD2 4.33Å; L190-F192 HydrophobicContact CB-CE2 3.59Å; L190-F192 HydrophobicContact CB-CZ 3.82Å; L190-F192 HydrophobicContact CD1-CE2 4.35Å; L190-F192 HydrophobicContact CD1-CZ 3.8Å; L190-F192 HydrophobicContact CG-CZ 4.49Å; F192-G195 PolarHBondContact O-N 2.58Å; F192-L196 HydrophobicContact CB-CB 4.17Å; F192-L196 HydrophobicContact CD2-CB 4.08Å; F192-L196 HydrophobicContact CG-CB 4.43Å; F192-L196 PolarHBondContact N-O 3.03Å; F192-L249 HydrophobicContact CZ-CD2 4.23Å; F192-Y251 HydrophobicContact CD2-CE1 4.25Å; F192-Y251 AromaticContact CE2-CE1 3.8Å; F192-Y251 HydrophobicContact CE2-CE1 3.8Å; F192-Y251 HydrophobicContact CZ-CE1 4.24Å; F192-V282 PolarHBondContact O-N 3.02Å |
| 193 | Q | 91.1 | Very high | 92.3 | Very high | 67 Ų | 67 | 10.9 Ų | 10.9 | 31% | 0.313 | 6% | 0.056 | S | C | . | . | B | Isolated β-bridge | trans | -56.3 | 153.5 | 153.6 | -164.7 | 170.9 | 0.3 | 0 | 0 | 109.1 | A136 T138 G195 | A136-Q193 HydrophobicContact CB-CB 4.08Å; A136-Q193 PolarHBondContact O-N 3.48Å; T138-Q193 HydrophobicContact CG2-CB 4.08Å; Q193-G195 PolarHBondContact O-N 2.73Å |
| 194 | Q | 91.9 | Very high | 91.9 | Very high | 48 Ų | 48 | 11.1 Ų | 11.1 | 22% | 0.224 | 6% | 0.058 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.6 | -1.5 | -167.9 | -45.8 | -177.2 | 33.1 | 0 | 0 | 114.9 | L257 F262 S277 V280 | Q194-L257 HydrophobicContact CB-CD1 4.02Å; Q194-L257 HydrophobicContact CB-CD2 4.35Å; Q194-F262 VanDerWaalsContact O-CD2 3.27Å; Q194-F262 WeakPolarHBondContact O-CD2 3.49Å; Q194-S277 WeakPolarHBondContact CA-O 3.43Å; Q194-V280 WeakPolarHBondContact CA-O 3.23Å; Q194-V280 PolarHBondContact N-O 3.48Å |
| 195 | G | 92.8 | Very high | 91.3 | Very high | 3 Ų | 3 | 15.9 Ų | 15.9 | 3% | 0.031 | 9% | 0.087 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 86.1 | 10.6 | 168.4 | 0 | 0 | 0 | 0 | 0 | 116 | F192 Q193 F262 | F192-G195 PolarHBondContact O-N 2.58Å; Q193-G195 PolarHBondContact O-N 2.73Å; G195-F262 WeakPolarHBondContact O-CE2 2.91Å |
| 196 | L | 94.6 | Very high | 90.5 | Very high | 26 Ų | 26 | 17.9 Ų | 17.9 | 14% | 0.136 | 10% | 0.095 | C | C | . | . | trans | -69.6 | 153 | 171.9 | -70.7 | 171.1 | 0 | 0 | 0 | 111.2 | F192 Y251 V256 L257 V282 | F192-L196 HydrophobicContact CB-CB 4.17Å; F192-L196 HydrophobicContact CD2-CB 4.08Å; F192-L196 HydrophobicContact CG-CB 4.43Å; F192-L196 PolarHBondContact N-O 3.03Å; L196-Y251 HydrophobicContact CB-CD1 4.23Å; L196-Y251 HydrophobicContact CB-CE1 4.17Å; L196-Y251 HydrophobicContact CD1-CD1 4.47Å; L196-Y251 HydrophobicContact CD1-CE1 4.09Å; L196-V256 HydrophobicContact CD2-CG2 3.85Å; L196-L257 HydrophobicContact CD1-CD2 3.96Å; L196-L257 HydrophobicContact CD2-CB 4.23Å; L196-L257 HydrophobicContact CG-CD2 4.35Å; L196-V282 WeakPolarHBondContact O-CG2 3.08Å | ||
| 197 | V | 96.2 | Very high | 89.1 | Confident | 12 Ų | 12 | 19.7 Ų | 19.7 | 7% | 0.073 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 134.7 | 171.6 | -175.1 | 0 | 0 | 0 | 0 | 108.7 | L190 Y251 L252 V282 L285 L294 V296 | L190-V197 CarbonylContact O-C 3.47Å; L190-V197 VanDerWaalsContact O-CA 3.3Å; L190-V197 WeakPolarHBondContact O-CA 3.35Å; V197-Y251 WeakPolarHBondContact O-CA 3.43Å; V197-L252 HydrophobicContact CB-CD1 4.14Å; V197-L252 HydrophobicContact CB-CG 4.48Å; V197-L252 HydrophobicContact CG1-CD1 3.65Å; V197-L252 HydrophobicContact CG1-CG 4.22Å; V197-L252 PolarHBondContact O-N 3Å; V197-V282 HydrophobicContact CG2-CG2 3.94Å; V197-L285 HydrophobicContact CG1-CD1 4.38Å; V197-L294 HydrophobicContact CG1-CD2 4.04Å; V197-V296 HydrophobicContact CG1-CG2 4.41Å; V197-V296 HydrophobicContact CG2-CG1 3.61Å; V197-V296 HydrophobicContact CG2-CG2 4.15Å |
| 198 | G | 95 | Very high | 87.5 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 166.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | A189 L190 V250 | A189-G198 WeakPolarHBondContact CA-O 3.5Å; L190-G198 PolarHBondContact N-O 2.89Å; L190-G198 PolarHBondContact O-N 3.3Å; G198-V250 CarbonylContact C-O 3.59Å; G198-V250 WeakPolarHBondContact CA-O 3.46Å |
| 199 | L | 95.5 | Very high | 85.5 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 121.5 | 173.3 | -59.5 | 177.5 | 0 | 0 | 0 | 108.7 | L143 F184 F188 A189 L249 V250 L252 L308 L311 | L143-L199 HydrophobicContact CD2-CD2 4.31Å; F184-L199 HydrophobicContact CE1-CB 4.09Å; F184-L199 HydrophobicContact CZ-CB 4.21Å; F188-L199 WeakPolarHBondContact O-CA 3.11Å; A189-L199 HydrophobicContact CB-CD2 3.9Å; L199-L249 CarbonylContact O-C 3.56Å; L199-L249 WeakPolarHBondContact O-CA 3.39Å; L199-V250 PolarHBondContact N-O 3.13Å; L199-V250 PolarHBondContact O-N 2.91Å; L199-L252 HydrophobicContact CD1-CD2 4.13Å; L199-L252 HydrophobicContact CG-CD2 4.18Å; L199-L308 HydrophobicContact CD1-CD2 4.48Å; L199-L311 HydrophobicContact CD1-CD2 3.83Å |
| 200 | L | 94.8 | Very high | 83.3 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 135.1 | 177.8 | -178.5 | 71.7 | 0 | 0 | 0 | 110.1 | I131 I133 C187 F188 L190 M202 H247 S248 L249 | I131-L200 HydrophobicContact CD1-CD2 4Å; I131-L200 HydrophobicContact CG2-CD1 4.42Å; I133-L200 HydrophobicContact CD1-CD1 4.13Å; I133-L200 HydrophobicContact CD1-CD2 3.74Å; C187-L200 VanDerWaalsContact CA-O 3.29Å; C187-L200 WeakPolarHBondContact CA-O 3.34Å; C187-L200 PolarHBondContact SG-O 2.79Å; C187-L200 VanDerWaalsContact SG-O 3.34Å; F188-L200 PolarHBondContact N-O 2.86Å; F188-L200 VanDerWaalsContact N-O 3.11Å; F188-L200 PolarHBondContact O-N 3.26Å; L190-L200 HydrophobicContact CD1-CB 3.99Å; L190-L200 HydrophobicContact CD1-CD2 4.37Å; L190-L200 HydrophobicContact CG-CB 4.2Å; L200-M202 HydrophobicContact CD2-SD 3.93Å; L200-H247 HydrophobicContact CD1-CB 4.15Å; L200-S248 WeakPolarHBondContact CA-O 3.32Å; L200-L249 HydrophobicContact CB-CD1 4.39Å; L200-L249 HydrophobicContact CD1-CB 4.34Å |
| 201 | D | 92.2 | Very high | 81.2 | Confident | 4 Ų | 4 | 41.4 Ų | 41.4 | 2% | 0.021 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 131.3 | 168.5 | -166 | 7.7 | 0 | 0 | 0 | 111.2 | F184 D185 I237 S238 H247 S248 | F184-D201 HydrophobicContact CD1-CB 3.71Å; F184-D201 HydrophobicContact CE1-CB 4.27Å; D185-D201 PolarHBondContact N-OD1 2.93Å; D201-I237 HydrophobicContact CB-CG2 4.08Å; D201-I237 VanDerWaalsContact OD2-CG2 3.24Å; D201-I237 WeakPolarHBondContact OD2-CG2 3.44Å; D201-S238 VanDerWaalsContact OD2-CB 3.28Å; D201-S238 WeakPolarHBondContact OD2-CB 3.44Å; D201-S238 PolarHBondContact OD2-OG 2.79Å; D201-H247 PolarHBondContact O-ND1 2.95Å; D201-S248 PolarHBondContact N-O 3.07Å |
| 202 | M | 88.5 | Confident | 79 | Confident | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | trans | -99.5 | -10.2 | -174 | -75.4 | -61 | -53 | 0 | 0 | 114.6 | F118 I129 I131 W142 D185 G186 F188 L200 L204 | F118-M202 HydrophobicContact CB-CE 4.12Å; F118-M202 HydrophobicContact CG-CE 4.4Å; I129-M202 HydrophobicContact CB-CE 4.43Å; I129-M202 HydrophobicContact CD1-CE 3.92Å; I129-M202 HydrophobicContact CG2-CE 4.22Å; I131-M202 HydrophobicContact CD1-CE 3.71Å; I131-M202 HydrophobicContact CD1-SD 3.44Å; I131-M202 WeakPolarHBondContact CD1-SD 3.32Å; W142-M202 HydrophobicContact CZ3-CG 4.43Å; D185-M202 CarbonylContact O-C 3.52Å; G186-M202 WeakPolarHBondContact O-CB 3.45Å; G186-M202 PolarHBondContact O-N 2.93Å; F188-M202 HydrophobicContact CD2-CG 3.54Å; F188-M202 HydrophobicContact CD2-SD 3.45Å; F188-M202 WeakPolarHBondContact CD2-SD 3.45Å; F188-M202 HydrophobicContact CE2-CE 4.11Å; F188-M202 HydrophobicContact CE2-CG 3.69Å; F188-M202 HydrophobicContact CE2-SD 3.52Å; F188-M202 VanDerWaalsContact CE2-SD 3.52Å; L200-M202 HydrophobicContact CD2-SD 3.93Å; M202-L204 HydrophobicContact CB-CD2 3.92Å; M202-L204 HydrophobicContact CB-CG 3.79Å; M202-L204 HydrophobicContact CE-CD2 4.36Å; M202-L204 PolarHBondContact O-N 3.18Å; M202-L204 VanDerWaalsContact O-N 3.14Å | ||
| 203 | C | 86.8 | Confident | 77 | Confident | 5 Ų | 5 | 49 Ų | 49 | 3% | 0.034 | 26% | 0.257 | C | S | . | . | trans | 51.4 | 37.3 | 176.1 | -55.2 | 0 | 0 | 0 | 0 | 113.7 | D185 T205 H206 V245 | D185-C203 PolarHBondContact O-N 2.71Å; D185-C203 VanDerWaalsContact O-N 3.09Å; C203-T205 PolarHBondContact O-N 3.15Å; C203-H206 HydrophobicContact CB-CB 4.25Å; C203-H206 PolarHBondContact O-N 3.08Å; C203-V245 HydrophobicContact CB-CG1 3.85Å | ||
| 204 | L | 80.6 | Confident | 75.6 | Confident | 13 Ų | 13 | 50.5 Ų | 50.5 | 7% | 0.068 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -10.8 | -168.2 | -68.6 | -174 | 0 | 0 | 0 | 116.5 | T94 F118 R120 I129 W142 D185 M202 | T94-L204 HydrophobicContact CG2-CD1 3.98Å; F118-L204 HydrophobicContact CD1-CD2 4.39Å; F118-L204 HydrophobicContact CE1-CD2 4.07Å; F118-L204 HydrophobicContact CZ-CD2 4.38Å; R120-L204 PolarHBondContact NH1-O 3.13Å; R120-L204 PolarHBondContact NH2-O 2.97Å; I129-L204 HydrophobicContact CD1-CD2 3.5Å; I129-L204 VanDerWaalsContact CD1-CD2 3.5Å; W142-L204 HydrophobicContact CH2-CD1 3.71Å; W142-L204 HydrophobicContact CZ3-CD1 4.5Å; D185-L204 VanDerWaalsContact CG-N 3.33Å; D185-L204 WeakPolarHBondContact O-CG 3.2Å; D185-L204 PolarHBondContact O-N 3.38Å; D185-L204 PolarHBondContact OD2-N 3.1Å; M202-L204 HydrophobicContact CB-CD2 3.92Å; M202-L204 HydrophobicContact CB-CG 3.79Å; M202-L204 HydrophobicContact CE-CD2 4.36Å; M202-L204 PolarHBondContact O-N 3.18Å; M202-L204 VanDerWaalsContact O-N 3.14Å |
| 205 | T | 76 | Confident | 74.6 | Confident | 105 Ų | 105 | 54.5 Ų | 54.5 | 64% | 0.644 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.5 | -17.6 | 171.4 | 63 | 0 | 0 | 0 | 0 | 113.6 | D185 C203 | D185-T205 WeakPolarHBondContact OD2-CA 3.43Å; D185-T205 VanDerWaalsContact OD2-CB 3.28Å; D185-T205 WeakPolarHBondContact OD2-CB 3.38Å; D185-T205 PolarHBondContact OD2-N 2.84Å; D185-T205 PolarHBondContact OD2-OG1 2.94Å; C203-T205 PolarHBondContact O-N 3.15Å |
| 206 | H | 68.8 | Low | 74 | Confident | 84 Ų | 84 | 55.1 Ų | 55.1 | 39% | 0.389 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -90.3 | 0.8 | 179 | -66 | -65.7 | 0 | 0 | 0 | 113.7 | C203 R208 | C203-H206 HydrophobicContact CB-CB 4.25Å; C203-H206 PolarHBondContact O-N 3.08Å; H206-R208 PolarHBondContact O-N 2.71Å |
| 207 | T | 56.2 | Low | 73.6 | Confident | 41 Ų | 41 | 56 Ų | 56 | 25% | 0.252 | 29% | 0.293 | S | S | . | . | trans | -65.4 | 120.4 | -176.2 | 57.4 | 0 | 0 | 0 | 0 | 112.6 | R120 I129 | R120-T207 PolarHBondContact NH1-OG1 3.06Å; R120-T207 VanDerWaalsContact NH1-OG1 3.09Å; I129-T207 HydrophobicContact CD1-CG2 3.57Å; I129-T207 HydrophobicContact CG1-CG2 3.93Å | ||
| 208 | R | 57 | Low | 73.1 | Confident | 153 Ų | 153 | 58.7 Ų | 58.7 | 58% | 0.577 | 31% | 0.31 | S | S | * | . | trans | -67.2 | 140.2 | 164.9 | -59.5 | 164.7 | 100.2 | 142.4 | 2.3 | 108.6 | H206 D210 D243 | H206-R208 PolarHBondContact O-N 2.71Å; R208-D210 PolarHBondContact O-N 2.82Å; R208-D243 PolarHBondContact NH1-O 3.25Å; R208-D243 VanDerWaalsContact NH1-O 3.11Å | ||
| 209 | D | 51.8 | Low | 72.9 | Confident | 150 Ų | 150 | 59.6 Ų | 59.6 | 80% | 0.802 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -66.5 | -16.9 | -178.8 | -84.4 | -51.9 | 0 | 0 | 0 | 113.8 | K126 | K126-D209 PolarHBondContact NZ-O 3.18Š|
| 210 | D | 50.6 | Low | 72.6 | Confident | 101 Ų | 101 | 62.9 Ų | 62.9 | 54% | 0.54 | 33% | 0.333 | S | S | . | . | trans | -124.6 | 121.7 | 176.2 | -82.8 | -52.5 | 0 | 0 | 0 | 113.4 | K126 R208 S212 | K126-D210 IonicContact NZ-OD1 3.49Å; K126-D210 PolarHBondContact NZ-OD1 2.59Å; R208-D210 PolarHBondContact O-N 2.82Å; D210-S212 PolarHBondContact O-N 3.09Å | ||
| 211 | L | 53 | Low | 72.5 | Confident | 52 Ų | 52 | 66.3 Ų | 66.3 | 27% | 0.272 | 36% | 0.361 | S | S | . | . | trans | -68.3 | 68 | 151.8 | -89.1 | 158 | 0 | 0 | 0 | 108.9 | C127 N213 | C127-L211 WeakPolarHBondContact O-CD1 3.16Å; L211-N213 VanDerWaalsContact C-N 3.31Å | ||
| 212 | S | 50.9 | Low | 72.4 | Confident | 87 Ų | 87 | 67.4 Ų | 67.4 | 61% | 0.608 | 37% | 0.368 | S | S | * | . | trans | -85.1 | -6.8 | 170.8 | 61.1 | 0 | 0 | 0 | 0 | 112.9 | D210 | D210-S212 PolarHBondContact O-N 3.09Š| ||
| 213 | N | 51.9 | Low | 72.5 | Confident | 78 Ų | 78 | 73.7 Ų | 73.7 | 42% | 0.417 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -96.8 | 120.4 | 173.6 | -65.7 | 4.2 | 0 | 0 | 0 | 107.9 | L211 Q215 | L211-N213 VanDerWaalsContact C-N 3.31Å; N213-Q215 PolarHBondContact O-N 3.21Å |
| 214 | D | 62.1 | Low | 72.7 | Confident | 97 Ų | 97 | 76.4 Ų | 76.4 | 52% | 0.519 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -70.4 | 14.3 | -178.2 | -67.3 | -60.7 | 0 | 0 | 0 | 114.7 | N73 | N73-D214 PolarHBondContact ND2-O 3.18Š|
| 215 | Q | 71.8 | Confident | 73.2 | Confident | 133 Ų | 133 | 78.8 Ų | 78.8 | 62% | 0.621 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -118.4 | 137.1 | -177.5 | -68.7 | -169 | -21.4 | 0 | 0 | 111.8 | N73 N213 | N73-Q215 HydrophobicContact CB-CG 4.36Å; N213-Q215 PolarHBondContact O-N 3.21Å |
| 216 | P | 78.9 | Confident | 73.9 | Confident | 15 Ų | 15 | 78 Ų | 78 | 10% | 0.097 | 41% | 0.413 | C | S | . | . | trans | -73.2 | 147.1 | 176.8 | 27.9 | -30.2 | 0 | 0 | 0 | 111.5 | L70 V74 L115 A130 | L70-P216 HydrophobicContact CD2-CB 4.27Å; V74-P216 HydrophobicContact CG2-CG 3.4Å; V74-P216 VanDerWaalsContact CG2-CG 3.4Å; L115-P216 HydrophobicContact CD1-CB 3.84Å; L115-P216 HydrophobicContact CD1-CG 4.41Å; A130-P216 HydrophobicContact CB-CB 4.44Å; A130-P216 CarbonylContact O-C 3.54Å; A130-P216 WeakPolarHBondContact O-CA 3.37Å; A130-P216 WeakPolarHBondContact O-CB 3.05Å | ||
| 217 | E | 86.4 | Confident | 75 | Confident | 45 Ų | 45 | 74 Ų | 74 | 21% | 0.21 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 148.5 | 176.5 | -65.8 | 147.5 | 135.6 | 0 | 0 | 109.8 | I129 A130 I131 L132 | I129-E217 WeakPolarHBondContact CG2-OE2 3.3Å; A130-E217 PolarHBondContact N-OE2 3.05Å; A130-E217 VanDerWaalsContact N-OE2 3.13Å; A130-E217 PolarHBondContact O-N 2.8Å; I131-E217 CarbonylContact C-O 3.54Å; I131-E217 WeakPolarHBondContact CA-O 3.46Å; L132-E217 PolarHBondContact N-O 3.24Å |
| 218 | T | 86.1 | Confident | 76.6 | Confident | 69 Ų | 69 | 74.4 Ų | 74.4 | 42% | 0.423 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 147.8 | -174.6 | 65.2 | 0 | 0 | 0 | 0 | 112.3 | H247 | T218-H247 PolarHBondContact O-N 2.78Å |
| 219 | S | 91.1 | Very high | 78.2 | Confident | 19 Ų | 19 | 72 Ų | 72 | 13% | 0.133 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 136.2 | 175.1 | 58.2 | 0 | 0 | 0 | 0 | 112.5 | L132 I133 H247 | L132-S219 PolarHBondContact O-N 3.27Å; L132-S219 PolarHBondContact O-OG 2.82Å; I133-S219 WeakPolarHBondContact CA-OG 3.33Å; S219-H247 CarbonylContact C-O 3.05Å; S219-H247 WeakPolarHBondContact CA-O 3.39Å |
| 220 | I | 90.1 | Very high | 80 | Confident | 69 Ų | 69 | 65 Ų | 65 | 35% | 0.354 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 131.2 | -178.4 | -62.1 | -174.1 | 0 | 0 | 0 | 109.5 | V222 E246 H247 L249 | I220-V222 PolarHBondContact O-N 3.09Å; I220-E246 HydrophobicContact CD1-CB 3.95Å; I220-E246 HydrophobicContact CD1-CG 3.96Å; I220-E246 VanDerWaalsContact CD1-OE2 3.3Å; I220-E246 WeakPolarHBondContact CD1-OE2 3.31Å; I220-H247 PolarHBondContact N-O 2.89Å; I220-L249 PolarHBondContact O-N 3.03Å |
| 221 | A | 91.1 | Very high | 81.8 | Confident | 72 Ų | 72 | 61.6 Ų | 61.6 | 60% | 0.595 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 107.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | L249 Y251 | A221-L249 CarbonylContact C-O 3.47Å; A221-L249 WeakPolarHBondContact CA-O 3.43Å; A221-Y251 HydrophobicContact CB-CD2 4.44Å; A221-Y251 HydrophobicContact CB-CE2 4.03Å |
| 222 | V | 91.3 | Very high | 83.4 | Confident | 26 Ų | 26 | 63.7 Ų | 63.7 | 16% | 0.158 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 136.8 | -179.2 | 175.6 | 0 | 0 | 0 | 0 | 110.2 | I220 H226 I237 L249 V250 | I220-V222 PolarHBondContact O-N 3.09Å; V222-H226 HydrophobicContact CG1-CB 4.15Å; V222-I237 HydrophobicContact CG1-CD1 4.19Å; V222-I237 HydrophobicContact CG1-CG1 4.43Å; V222-L249 PolarHBondContact N-O 2.63Å; V222-V250 HydrophobicContact CB-CG2 4.1Å; V222-V250 HydrophobicContact CG1-CG2 4.27Å |
| 223 | E | 90.3 | Very high | 85.1 | Confident | 134 Ų | 134 | 62.7 Ų | 62.7 | 63% | 0.626 | 34% | 0.344 | S | S | * | . | trans | -69 | 136.5 | 178.9 | -151.3 | -155.1 | 115.8 | 0 | 0 | 111.5 | S225 H226 C227 | E223-S225 PolarHBondContact O-N 2.93Å; E223-S225 VanDerWaalsContact O-N 3.13Å; E223-S225 WeakPolarHBondContact OE1-CB 3.28Å; E223-S225 PolarHBondContact OE1-OG 2.98Å; E223-H226 WeakPolarHBondContact O-CA 3.5Å; E223-H226 WeakPolarHBondContact O-CB 3.38Å; E223-H226 PolarHBondContact O-N 2.92Å; E223-C227 PolarHBondContact O-N 2.82Å; E223-C227 VanDerWaalsContact O-N 3.14Å | ||
| 224 | R | 91.2 | Very high | 86.7 | Confident | 62 Ų | 62 | 66.9 Ų | 66.9 | 23% | 0.234 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -47.7 | -38.6 | 174.2 | -179.1 | -153.1 | 168.4 | 85.2 | 11.9 | 113.6 | C227 L228 V250 L252 R310 L311 | R224-C227 PolarHBondContact O-N 2.91Å; R224-L228 WeakPolarHBondContact O-CG 3.21Å; R224-L228 PolarHBondContact O-N 2.82Å; R224-V250 HydrophobicContact CB-CG1 4.44Å; R224-L252 PolarHBondContact NH1-O 3.18Å; R224-R310 PolarHBondContact NH2-O 2.81Å; R224-L311 HydrophobicContact CG-CD1 4.19Å; R224-L311 PolarHBondContact NH1-O 3.02Å; R224-L311 PolarHBondContact NH2-O 3.2Å |
| 225 | S | 90.1 | Very high | 87.8 | Confident | 62 Ų | 62 | 66.8 Ų | 66.8 | 43% | 0.434 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -67.2 | -37.4 | 178.3 | 65.1 | 0 | 0 | 0 | 0 | 112.5 | E223 L228 H229 | E223-S225 PolarHBondContact O-N 2.93Å; E223-S225 VanDerWaalsContact O-N 3.13Å; E223-S225 WeakPolarHBondContact OE1-CB 3.28Å; E223-S225 PolarHBondContact OE1-OG 2.98Å; S225-L228 PolarHBondContact O-N 2.89Å; S225-H229 PolarHBondContact O-N 2.81Å |
| 226 | H | 91.1 | Very high | 88.5 | Confident | 89 Ų | 89 | 64.1 Ų | 64.1 | 41% | 0.412 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -66 | -42.5 | 175.4 | -172.5 | 85.4 | 0 | 0 | 0 | 111.4 | V222 E223 L228 H229 C230 | V222-H226 HydrophobicContact CG1-CB 4.15Å; E223-H226 WeakPolarHBondContact O-CA 3.5Å; E223-H226 WeakPolarHBondContact O-CB 3.38Å; E223-H226 PolarHBondContact O-N 2.92Å; H226-L228 VanDerWaalsContact C-N 3.34Å; H226-L228 PolarHBondContact O-N 2.86Å; H226-H229 WeakPolarHBondContact O-CA 3.47Å; H226-H229 WeakPolarHBondContact O-CB 3.38Å; H226-H229 PolarHBondContact O-N 3.43Å; H226-H229 VanDerWaalsContact O-N 3.08Å; H226-C230 PolarHBondContact NE2-SG 3.47Å; H226-C230 VanDerWaalsContact NE2-SG 3.44Å; H226-C230 PolarHBondContact O-N 2.87Å; H226-C230 PolarHBondContact O-SG 3.18Å |
| 227 | C | 91.3 | Very high | 88.9 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -55.7 | -46.1 | 172.6 | 179.1 | 0 | 0 | 0 | 0 | 112.3 | V180 I183 E223 R224 H229 C230 F231 I237 V250 L311 | V180-C227 VanDerWaalsContact CG1-SG 3.56Å; I183-C227 WeakPolarHBondContact CD1-O 3.44Å; E223-C227 PolarHBondContact O-N 2.82Å; E223-C227 VanDerWaalsContact O-N 3.14Å; R224-C227 PolarHBondContact O-N 2.91Å; C227-H229 VanDerWaalsContact C-N 3.32Å; C227-H229 PolarHBondContact O-N 3.28Å; C227-C230 PolarHBondContact O-N 2.91Å; C227-F231 PolarHBondContact O-N 2.67Å; C227-I237 HydrophobicContact CB-CD1 3.77Å; C227-V250 HydrophobicContact CB-CG1 3.91Å; C227-V250 HydrophobicContact CB-CG2 3.88Å; C227-L311 HydrophobicContact CB-CD1 4.39Å |
| 228 | L | 90.2 | Very high | 88.7 | Confident | 49 Ų | 49 | 62.1 Ų | 62.1 | 26% | 0.257 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -67.3 | -30.3 | 175.9 | -67.4 | 171.5 | 0 | 0 | 0 | 113.1 | V180 R224 S225 H226 S232 L311 | V180-L228 HydrophobicContact CG2-CD2 4.09Å; R224-L228 WeakPolarHBondContact O-CG 3.21Å; R224-L228 PolarHBondContact O-N 2.82Å; S225-L228 PolarHBondContact O-N 2.89Å; H226-L228 VanDerWaalsContact C-N 3.34Å; H226-L228 PolarHBondContact O-N 2.86Å; L228-S232 WeakPolarHBondContact O-CB 3.46Å; L228-S232 PolarHBondContact O-N 2.78Å; L228-S232 PolarHBondContact O-OG 3.1Å; L228-L311 HydrophobicContact CD2-CB 4.47Å; L228-L311 HydrophobicContact CD2-CD1 3.93Å; L228-L311 HydrophobicContact CD2-CG 4.04Å; L228-L311 HydrophobicContact CG-CD1 4.06Å |
| 229 | H | 90.6 | Very high | 88 | Confident | 102 Ų | 102 | 65.7 Ų | 65.7 | 47% | 0.472 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -67.9 | -49.3 | 172.3 | 175 | -90.7 | 0 | 0 | 0 | 111.6 | S225 H226 C227 F231 S232 C233 | S225-H229 PolarHBondContact O-N 2.81Å; H226-H229 WeakPolarHBondContact O-CA 3.47Å; H226-H229 WeakPolarHBondContact O-CB 3.38Å; H226-H229 PolarHBondContact O-N 3.43Å; H226-H229 VanDerWaalsContact O-N 3.08Å; C227-H229 VanDerWaalsContact C-N 3.32Å; C227-H229 PolarHBondContact O-N 3.28Å; H229-F231 VanDerWaalsContact C-N 3.31Å; H229-F231 PolarHBondContact O-N 3.1Å; H229-S232 WeakPolarHBondContact O-CB 3.27Å; H229-S232 PolarHBondContact O-N 3.35Å; H229-C233 PolarHBondContact O-N 2.8Å; H229-C233 PolarHBondContact O-SG 2.85Å |
| 230 | C | 89.6 | Confident | 86.5 | Confident | 4 Ų | 4 | 69 Ų | 69 | 3% | 0.027 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -61 | -39.1 | 177.6 | -65.3 | 0 | 0 | 0 | 0 | 111.8 | I183 H226 C227 C233 K234 Q235 | I183-C230 HydrophobicContact CD1-CB 3.82Å; H226-C230 PolarHBondContact NE2-SG 3.47Å; H226-C230 VanDerWaalsContact NE2-SG 3.44Å; H226-C230 PolarHBondContact O-N 2.87Å; H226-C230 PolarHBondContact O-SG 3.18Å; C227-C230 PolarHBondContact O-N 2.91Å; C230-C233 CarbonylContact O-C 3.54Å; C230-C233 PolarHBondContact O-N 3.49Å; C230-K234 WeakPolarHBondContact O-CA 3.36Å; C230-K234 PolarHBondContact O-N 2.89Å; C230-Q235 PolarHBondContact O-N 2.88Å |
| 231 | F | 88.5 | Confident | 85.2 | Confident | 29 Ų | 29 | 68.4 Ų | 68.4 | 13% | 0.127 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -60.2 | -45.9 | 170.1 | 176 | -124.2 | 0 | 0 | 0 | 112.8 | S178 S179 V180 I183 C227 H229 C233 K234 | S178-F231 VanDerWaalsContact OG-CE2 3.3Å; S178-F231 WeakPolarHBondContact OG-CE2 3.41Å; S178-F231 WeakPolarHBondContact OG-CZ 3.36Å; S179-F231 WeakPolarHBondContact O-CE2 3.25Å; V180-F231 HydrophobicContact CB-CG 4.4Å; V180-F231 HydrophobicContact CG2-CB 4.28Å; V180-F231 HydrophobicContact CG2-CD1 3.56Å; V180-F231 HydrophobicContact CG2-CD2 4.32Å; V180-F231 HydrophobicContact CG2-CE1 3.84Å; V180-F231 HydrophobicContact CG2-CG 3.81Å; V180-F231 HydrophobicContact CG2-CZ 4.33Å; I183-F231 HydrophobicContact CD1-CB 4.23Å; I183-F231 HydrophobicContact CG2-CB 4.33Å; I183-F231 HydrophobicContact CG2-CD2 4.41Å; C227-F231 PolarHBondContact O-N 2.67Å; H229-F231 VanDerWaalsContact C-N 3.31Å; H229-F231 PolarHBondContact O-N 3.1Å; F231-C233 VanDerWaalsContact C-N 3.26Å; F231-C233 PolarHBondContact O-N 2.97Å; F231-K234 PolarHBondContact O-N 3.11Å; F231-K234 VanDerWaalsContact O-N 3.13Å |
| 232 | S | 87.2 | Confident | 83.6 | Confident | 97 Ų | 97 | 72.8 Ų | 72.8 | 68% | 0.678 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -61.7 | -35 | 177.2 | -59.4 | 0 | 0 | 0 | 0 | 112.5 | L228 H229 | L228-S232 WeakPolarHBondContact O-CB 3.46Å; L228-S232 PolarHBondContact O-N 2.78Å; L228-S232 PolarHBondContact O-OG 3.1Å; H229-S232 WeakPolarHBondContact O-CB 3.27Å; H229-S232 PolarHBondContact O-N 3.35Å |
| 233 | C | 87.3 | Confident | 82.1 | Confident | 65 Ų | 65 | 77.7 Ų | 77.7 | 44% | 0.439 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -87.7 | -5.4 | 177.6 | -66.5 | 0 | 0 | 0 | 0 | 114 | H229 C230 F231 Q235 | H229-C233 PolarHBondContact O-N 2.8Å; H229-C233 PolarHBondContact O-SG 2.85Å; C230-C233 CarbonylContact O-C 3.54Å; C230-C233 PolarHBondContact O-N 3.49Å; F231-C233 VanDerWaalsContact C-N 3.26Å; F231-C233 PolarHBondContact O-N 2.97Å; C233-Q235 HydrophobicContact CB-CG 4.18Å; C233-Q235 PolarHBondContact O-N 3.07Å |
| 234 | K | 84.1 | Confident | 80.9 | Confident | 166 Ų | 166 | 76.5 Ų | 76.5 | 72% | 0.722 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.1 | 36.9 | -172.4 | -57 | -175.8 | 177.4 | -174.7 | 0 | 114.1 | C230 F231 | C230-K234 WeakPolarHBondContact O-CA 3.36Å; C230-K234 PolarHBondContact O-N 2.89Å; F231-K234 PolarHBondContact O-N 3.11Å; F231-K234 VanDerWaalsContact O-N 3.13Å |
| 235 | Q | 86.4 | Confident | 80 | Confident | 96 Ų | 96 | 75.2 Ų | 75.2 | 45% | 0.449 | 41% | 0.411 | S | S | . | . | trans | -98 | 145.3 | 173.9 | -69.4 | 175.4 | -42.6 | 0 | 0 | 109.5 | I183 C230 C233 | I183-Q235 VanDerWaalsContact CB-O 3.3Å; I183-Q235 WeakPolarHBondContact CB-O 3.45Å; I183-Q235 WeakPolarHBondContact CG2-O 3.21Å; C230-Q235 PolarHBondContact O-N 2.88Å; C233-Q235 HydrophobicContact CB-CG 4.18Å; C233-Q235 PolarHBondContact O-N 3.07Å | ||
| 236 | P | 85 | Confident | 79.6 | Confident | 76 Ų | 76 | 77.1 Ų | 77.1 | 49% | 0.494 | 41% | 0.413 | S | S | . | . | trans | -59.3 | 151 | 171.2 | 29.3 | -35.8 | 0 | 0 | 0 | 110.1 | I183 | I183-P236 WeakPolarHBondContact O-CA 3.49Š| ||
| 237 | I | 87.4 | Confident | 79.6 | Confident | 9 Ų | 9 | 73 Ų | 73 | 5% | 0.046 | 39% | 0.394 | C | S | . | . | S | Bend | trans | -77.4 | -44.1 | -177.8 | -167.6 | 170.1 | 0 | 0 | 0 | 112.2 | I183 F184 D201 V222 C227 V250 | I183-I237 HydrophobicContact CD1-CB 3.84Å; I183-I237 HydrophobicContact CD1-CD1 4.39Å; I183-I237 HydrophobicContact CD1-CG1 4.41Å; I183-I237 HydrophobicContact CG1-CB 3.96Å; I183-I237 HydrophobicContact CG1-CG2 4.35Å; I183-I237 PolarHBondContact O-N 2.85Å; F184-I237 HydrophobicContact CD1-CG2 4.04Å; F184-I237 HydrophobicContact CD2-CG2 4.41Å; F184-I237 HydrophobicContact CE1-CD1 4.41Å; F184-I237 HydrophobicContact CE1-CG2 4.07Å; F184-I237 HydrophobicContact CE2-CD1 4.44Å; F184-I237 HydrophobicContact CE2-CG2 4.43Å; F184-I237 HydrophobicContact CG-CG2 4.21Å; F184-I237 HydrophobicContact CZ-CD1 3.92Å; F184-I237 HydrophobicContact CZ-CG2 4.26Å; D201-I237 HydrophobicContact CB-CG2 4.08Å; D201-I237 VanDerWaalsContact OD2-CG2 3.24Å; D201-I237 WeakPolarHBondContact OD2-CG2 3.44Å; V222-I237 HydrophobicContact CG1-CD1 4.19Å; V222-I237 HydrophobicContact CG1-CG1 4.43Å; C227-I237 HydrophobicContact CB-CD1 3.77Å; I237-V250 HydrophobicContact CD1-CG2 3.31Å |
| 238 | S | 83.1 | Confident | 79.6 | Confident | 10 Ų | 10 | 73.3 Ų | 73.3 | 7% | 0.07 | 40% | 0.396 | C | S | . | . | S | Bend | trans | -86.5 | 139.9 | 170.2 | -46.4 | 0 | 0 | 0 | 0 | 109.4 | D201 S248 | D201-S238 VanDerWaalsContact OD2-CB 3.28Å; D201-S238 WeakPolarHBondContact OD2-CB 3.44Å; D201-S238 PolarHBondContact OD2-OG 2.79Å; S238-S248 PolarHBondContact N-OG 2.85Å; S238-S248 VanDerWaalsContact OG-CB 3.31Å; S238-S248 WeakPolarHBondContact OG-CB 3.4Å; S238-S248 PolarHBondContact OG-N 2.89Å; S238-S248 PolarHBondContact OG-OG 3.11Å |
| 239 | Q | 70.4 | Confident | 79.9 | Confident | 143 Ų | 143 | 71.2 Ų | 71.2 | 67% | 0.668 | 39% | 0.385 | S | S | * | . | trans | -107.1 | 135.9 | 175.3 | -63.9 | -173.5 | 12.2 | 0 | 0 | 109.3 | S241 | Q239-S241 PolarHBondContact O-N 2.84Š| ||
| 240 | P | 60.4 | Low | 80.1 | Confident | 89 Ų | 89 | 66.3 Ų | 66.3 | 58% | 0.578 | 36% | 0.363 | S | S | * | . | trans | -72.9 | 110.6 | 177.4 | 28.7 | -33.4 | 0 | 0 | 0 | 110.7 | ||||
| 241 | S | 61.9 | Low | 80.3 | Confident | 57 Ų | 57 | 68.3 Ų | 68.3 | 40% | 0.399 | 37% | 0.37 | S | S | . | . | trans | -86.2 | 142.4 | 162.2 | 30.2 | 0 | 0 | 0 | 0 | 110.6 | Q239 D243 N244 | Q239-S241 PolarHBondContact O-N 2.84Å; S241-D243 VanDerWaalsContact C-N 3.33Å; S241-D243 PolarHBondContact O-N 3.39Å; S241-N244 PolarHBondContact OG-O 3.24Å | ||
| 242 | D | 57.5 | Low | 80.5 | Confident | 164 Ų | 164 | 67 Ų | 67 | 88% | 0.877 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -63.2 | -30.6 | -167.3 | -67.3 | -56.3 | 0 | 0 | 0 | 115 | ||
| 243 | D | 59.4 | Low | 80.7 | Confident | 128 Ų | 128 | 64.3 Ų | 64.3 | 68% | 0.684 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -101.1 | -36.3 | -174.8 | -79 | -49.7 | 0 | 0 | 0 | 114.9 | R208 S241 | R208-D243 PolarHBondContact NH1-O 3.25Å; R208-D243 VanDerWaalsContact NH1-O 3.11Å; S241-D243 VanDerWaalsContact C-N 3.33Å; S241-D243 PolarHBondContact O-N 3.39Å |
| 244 | N | 66.1 | Low | 80.8 | Confident | 109 Ų | 109 | 64 Ų | 64 | 58% | 0.583 | 34% | 0.344 | S | S | * | . | trans | -134.1 | 146.8 | -175.4 | -80.5 | -30.7 | 0 | 0 | 0 | 111.5 | S241 | S241-N244 PolarHBondContact OG-O 3.24Š| ||
| 245 | V | 73.2 | Confident | 81.1 | Confident | 36 Ų | 36 | 58.6 Ų | 58.6 | 22% | 0.218 | 33% | 0.327 | C | S | . | . | P | Polyproline II helix | trans | -93.9 | 120 | 171.2 | -176 | 0 | 0 | 0 | 0 | 109.4 | C203 | C203-V245 HydrophobicContact CB-CG1 3.85Š|
| 246 | E | 80.2 | Confident | 81.3 | Confident | 102 Ų | 102 | 54.5 Ų | 54.5 | 48% | 0.477 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 119 | 173.6 | -63.3 | -170.9 | 155.3 | 0 | 0 | 109.9 | I220 | I220-E246 HydrophobicContact CD1-CB 3.95Å; I220-E246 HydrophobicContact CD1-CG 3.96Å; I220-E246 VanDerWaalsContact CD1-OE2 3.3Å; I220-E246 WeakPolarHBondContact CD1-OE2 3.31Å |
| 247 | H | 90.5 | Very high | 81.4 | Confident | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.009 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 117.2 | -175 | -71.7 | -92.9 | 0 | 0 | 0 | 112.2 | I131 L200 D201 T218 S219 I220 L249 | I131-H247 HydrophobicContact CD1-CB 4.49Å; I131-H247 WeakPolarHBondContact CD1-ND1 3.31Å; I131-H247 HydrophobicContact CG2-CB 4.03Å; L200-H247 HydrophobicContact CD1-CB 4.15Å; D201-H247 PolarHBondContact O-ND1 2.95Å; T218-H247 PolarHBondContact O-N 2.78Å; S219-H247 CarbonylContact C-O 3.05Å; S219-H247 WeakPolarHBondContact CA-O 3.39Å; I220-H247 PolarHBondContact N-O 2.89Å; H247-L249 PolarHBondContact O-N 2.79Å |
| 248 | S | 93.1 | Very high | 81.2 | Confident | 7 Ų | 7 | 60.6 Ų | 60.6 | 5% | 0.049 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 125.2 | 178.3 | -63.1 | 0 | 0 | 0 | 0 | 112.6 | L200 D201 S238 | L200-S248 WeakPolarHBondContact CA-O 3.32Å; D201-S248 PolarHBondContact N-O 3.07Å; S238-S248 PolarHBondContact N-OG 2.85Å; S238-S248 VanDerWaalsContact OG-CB 3.31Å; S238-S248 WeakPolarHBondContact OG-CB 3.4Å; S238-S248 PolarHBondContact OG-N 2.89Å; S238-S248 PolarHBondContact OG-OG 3.11Å |
| 249 | L | 94.9 | Very high | 81.1 | Confident | 4 Ų | 4 | 72.6 Ų | 72.6 | 2% | 0.021 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 107.6 | 173 | 175.8 | 57.8 | 0 | 0 | 0 | 111 | I133 L190 F192 L199 L200 I220 A221 V222 H247 Y251 | I133-L249 HydrophobicContact CG2-CD2 3.82Å; L190-L249 HydrophobicContact CD1-CD1 3.92Å; F192-L249 HydrophobicContact CZ-CD2 4.23Å; L199-L249 CarbonylContact O-C 3.56Å; L199-L249 WeakPolarHBondContact O-CA 3.39Å; L200-L249 HydrophobicContact CB-CD1 4.39Å; L200-L249 HydrophobicContact CD1-CB 4.34Å; I220-L249 PolarHBondContact O-N 3.03Å; A221-L249 CarbonylContact C-O 3.47Å; A221-L249 WeakPolarHBondContact CA-O 3.43Å; V222-L249 PolarHBondContact N-O 2.63Å; H247-L249 PolarHBondContact O-N 2.79Å; L249-Y251 HydrophobicContact CD2-CE2 4.29Å; L249-Y251 HydrophobicContact CG-CE2 4.37Å |
| 250 | V | 94.8 | Very high | 81.8 | Confident | 0 Ų | 0 | 71.9 Ų | 71.9 | 0% | 0 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 108.9 | -177.6 | -175.9 | 0 | 0 | 0 | 0 | 111 | F184 G198 L199 V222 R224 C227 I237 | F184-V250 HydrophobicContact CZ-CG2 4.2Å; G198-V250 CarbonylContact C-O 3.59Å; G198-V250 WeakPolarHBondContact CA-O 3.46Å; L199-V250 PolarHBondContact N-O 3.13Å; L199-V250 PolarHBondContact O-N 2.91Å; V222-V250 HydrophobicContact CB-CG2 4.1Å; V222-V250 HydrophobicContact CG1-CG2 4.27Å; R224-V250 HydrophobicContact CB-CG1 4.44Å; C227-V250 HydrophobicContact CB-CG1 3.91Å; C227-V250 HydrophobicContact CB-CG2 3.88Å; I237-V250 HydrophobicContact CD1-CG2 3.31Å |
| 251 | Y | 94.5 | Very high | 83.3 | Confident | 45 Ų | 45 | 70.4 Ų | 70.4 | 18% | 0.176 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 132.2 | 172 | -68 | -76 | 0 | 0 | 0 | 111.7 | F192 L196 V197 A221 L249 A254 | F192-Y251 HydrophobicContact CD2-CE1 4.25Å; F192-Y251 AromaticContact CE2-CE1 3.8Å; F192-Y251 HydrophobicContact CE2-CE1 3.8Å; F192-Y251 HydrophobicContact CZ-CE1 4.24Å; L196-Y251 HydrophobicContact CB-CD1 4.23Å; L196-Y251 HydrophobicContact CB-CE1 4.17Å; L196-Y251 HydrophobicContact CD1-CD1 4.47Å; L196-Y251 HydrophobicContact CD1-CE1 4.09Å; V197-Y251 WeakPolarHBondContact O-CA 3.43Å; A221-Y251 HydrophobicContact CB-CD2 4.44Å; A221-Y251 HydrophobicContact CB-CE2 4.03Å; L249-Y251 HydrophobicContact CD2-CE2 4.29Å; L249-Y251 HydrophobicContact CG-CE2 4.37Å; Y251-A254 HydrophobicContact CG-CB 4.48Å |
| 252 | L | 93.6 | Very high | 84.8 | Confident | 2 Ų | 2 | 67.8 Ų | 67.8 | 1% | 0.01 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -66.7 | -42.9 | -177.7 | -64.6 | -176.6 | 0 | 0 | 0 | 112.4 | V197 L199 R224 L294 W306 L311 | V197-L252 HydrophobicContact CB-CD1 4.14Å; V197-L252 HydrophobicContact CB-CG 4.48Å; V197-L252 HydrophobicContact CG1-CD1 3.65Å; V197-L252 HydrophobicContact CG1-CG 4.22Å; V197-L252 PolarHBondContact O-N 3Å; L199-L252 HydrophobicContact CD1-CD2 4.13Å; L199-L252 HydrophobicContact CG-CD2 4.18Å; R224-L252 PolarHBondContact NH1-O 3.18Å; L252-L294 HydrophobicContact CD1-CD2 3.95Å; L252-W306 HydrophobicContact CB-CD2 4.5Å; L252-W306 HydrophobicContact CB-CE3 4.18Å; L252-W306 HydrophobicContact CB-CH2 4.17Å; L252-W306 HydrophobicContact CB-CZ2 4.47Å; L252-W306 HydrophobicContact CB-CZ3 4.02Å; L252-W306 HydrophobicContact CD1-CB 4.44Å; L252-W306 HydrophobicContact CD1-CD2 4Å; L252-W306 HydrophobicContact CD1-CE3 4.27Å; L252-W306 HydrophobicContact CD1-CG 4.09Å; L252-L311 HydrophobicContact CD2-CD2 4.28Å |
| 253 | D | 91.7 | Very high | 86.5 | Confident | 41 Ų | 41 | 60.9 Ų | 60.9 | 22% | 0.219 | 30% | 0.302 | C | S | . | . | trans | -151 | 91.7 | 166.7 | 176.6 | 12.8 | 0 | 0 | 0 | 109.7 | S255 V256 K265 W306 | D253-S255 PolarHBondContact O-N 2.85Å; D253-S255 WeakPolarHBondContact OD1-CA 3.48Å; D253-S255 VanDerWaalsContact OD1-CB 3.31Å; D253-S255 WeakPolarHBondContact OD1-CB 3.17Å; D253-S255 PolarHBondContact OD1-N 3.04Å; D253-S255 PolarHBondContact OD1-OG 3.09Å; D253-V256 HydrophobicContact CB-CG1 4.21Å; D253-V256 WeakPolarHBondContact O-CG2 3.43Å; D253-V256 PolarHBondContact O-N 2.79Å; D253-V256 WeakPolarHBondContact OD2-CG1 3.12Å; D253-K265 IonicContact OD1-NZ 3.36Å; D253-K265 PolarHBondContact OD1-NZ 3.02Å; D253-K265 IonicContact OD2-NZ 2.67Å; D253-K265 PolarHBondContact OD2-NZ 3.06Å; D253-W306 HydrophobicContact CB-CH2 3.87Å | ||
| 254 | A | 88.8 | Confident | 88.1 | Confident | 58 Ų | 58 | 54.8 Ų | 54.8 | 48% | 0.479 | 27% | 0.269 | S | S | . | . | G | 310 helix | trans | -61.7 | -21.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y251 V256 L257 | Y251-A254 HydrophobicContact CG-CB 4.48Å; A254-V256 PolarHBondContact O-N 3.19Å; A254-L257 PolarHBondContact O-N 2.92Å |
| 255 | S | 89.5 | Confident | 89.4 | Confident | 53 Ų | 53 | 50.6 Ų | 50.6 | 37% | 0.371 | 25% | 0.246 | S | C | . | . | G | 310 helix | trans | -81.1 | 5.6 | -175.3 | 80.5 | 0 | 0 | 0 | 0 | 114.2 | D253 L257 K265 | D253-S255 PolarHBondContact O-N 2.85Å; D253-S255 WeakPolarHBondContact OD1-CA 3.48Å; D253-S255 VanDerWaalsContact OD1-CB 3.31Å; D253-S255 WeakPolarHBondContact OD1-CB 3.17Å; D253-S255 PolarHBondContact OD1-N 3.04Å; D253-S255 PolarHBondContact OD1-OG 3.09Å; S255-L257 VanDerWaalsContact C-N 3.33Å; S255-K265 PolarHBondContact O-NZ 2.95Å; S255-K265 PolarHBondContact OG-NZ 2.93Å |
| 256 | V | 90.7 | Very high | 90.2 | Very high | 10 Ų | 10 | 49.6 Ų | 49.6 | 6% | 0.061 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -69.7 | -31.6 | 168.1 | -61.1 | 0 | 0 | 0 | 0 | 111.9 | L196 D253 A254 F262 T263 K265 | L196-V256 HydrophobicContact CD2-CG2 3.85Å; D253-V256 HydrophobicContact CB-CG1 4.21Å; D253-V256 WeakPolarHBondContact O-CG2 3.43Å; D253-V256 PolarHBondContact O-N 2.79Å; D253-V256 WeakPolarHBondContact OD2-CG1 3.12Å; A254-V256 PolarHBondContact O-N 3.19Å; V256-F262 HydrophobicContact CB-CD2 4.24Å; V256-F262 HydrophobicContact CB-CE2 4Å; V256-F262 HydrophobicContact CG2-CD2 3.94Å; V256-F262 HydrophobicContact CG2-CE2 3.69Å; V256-T263 WeakPolarHBondContact CA-OG1 3.43Å; V256-T263 PolarHBondContact O-N 2.85Å; V256-T263 PolarHBondContact O-OG1 2.87Å; V256-K265 HydrophobicContact CG1-CD 4.28Å |
| 257 | L | 88.6 | Confident | 90.7 | Very high | 45 Ų | 45 | 48.4 Ų | 48.4 | 24% | 0.236 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 123.4 | -176.4 | -173.6 | 67.9 | 0 | 0 | 0 | 110.3 | Q194 L196 A254 S255 | Q194-L257 HydrophobicContact CB-CD1 4.02Å; Q194-L257 HydrophobicContact CB-CD2 4.35Å; L196-L257 HydrophobicContact CD1-CD2 3.96Å; L196-L257 HydrophobicContact CD2-CB 4.23Å; L196-L257 HydrophobicContact CG-CD2 4.35Å; A254-L257 PolarHBondContact O-N 2.92Å; S255-L257 VanDerWaalsContact C-N 3.33Å |
| 258 | R | 83.3 | Confident | 90.6 | Very high | 168 Ų | 168 | 53.3 Ų | 53.3 | 63% | 0.634 | 27% | 0.274 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 127 | 174 | -66.4 | -171.1 | 178.5 | -142.9 | -3.1 | 110.5 | N260 D261 | R258-N260 PolarHBondContact O-N 3.05Å; R258-D261 PolarHBondContact N-O 2.74Å; R258-D261 WeakPolarHBondContact O-CA 3.48Å; R258-D261 WeakPolarHBondContact O-CB 3.31Å; R258-D261 PolarHBondContact O-N 2.89Å |
| 259 | W | 79.7 | Confident | 90.3 | Very high | 262 Ų | 262 | 55.2 Ų | 55.2 | 99% | 0.992 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.1 | 50.1 | 170.5 | -55.8 | -19.2 | 0 | 0 | 0 | 114.2 | D261 | W259-D261 PolarHBondContact O-N 2.83Š|
| 260 | N | 85.1 | Confident | 90 | Very high | 128 Ų | 128 | 62.3 Ų | 62.3 | 68% | 0.684 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.3 | 15.9 | -176.3 | -59 | -11.7 | 0 | 0 | 0 | 115.9 | R258 S277 | R258-N260 PolarHBondContact O-N 3.05Å; N260-S277 WeakPolarHBondContact O-CB 3.43Å; N260-S277 PolarHBondContact O-N 2.84Å; N260-S277 PolarHBondContact O-OG 3.46Å |
| 261 | D | 91.6 | Very high | 89.8 | Confident | 57 Ų | 57 | 65.6 Ų | 65.6 | 31% | 0.305 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 134.5 | 172.4 | -119.1 | 21.8 | 0 | 0 | 0 | 110.5 | R258 W259 S274 P276 | R258-D261 PolarHBondContact N-O 2.74Å; R258-D261 WeakPolarHBondContact O-CA 3.48Å; R258-D261 WeakPolarHBondContact O-CB 3.31Å; R258-D261 PolarHBondContact O-N 2.89Å; W259-D261 PolarHBondContact O-N 2.83Å; D261-S274 VanDerWaalsContact CG-OG 3.28Å; D261-S274 WeakPolarHBondContact OD2-CB 3.49Å; D261-S274 PolarHBondContact OD2-OG 3.26Å; D261-P276 WeakPolarHBondContact OD1-CA 3.46Å |
| 262 | F | 93.8 | Very high | 89.5 | Confident | 2 Ų | 2 | 67.8 Ų | 67.8 | 1% | 0.009 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 116.3 | 172.1 | 172.8 | -96 | 0 | 0 | 0 | 109.8 | Q194 G195 V256 Y264 I275 V280 F298 F300 | Q194-F262 VanDerWaalsContact O-CD2 3.27Å; Q194-F262 WeakPolarHBondContact O-CD2 3.49Å; G195-F262 WeakPolarHBondContact O-CE2 2.91Å; V256-F262 HydrophobicContact CB-CD2 4.24Å; V256-F262 HydrophobicContact CB-CE2 4Å; V256-F262 HydrophobicContact CG2-CD2 3.94Å; V256-F262 HydrophobicContact CG2-CE2 3.69Å; F262-Y264 HydrophobicContact CE1-CD2 4.1Å; F262-Y264 HydrophobicContact CE1-CG 4.47Å; F262-Y264 HydrophobicContact CZ-CD2 4.4Å; F262-I275 PolarHBondContact N-O 3.47Å; F262-I275 PolarHBondContact O-N 3.3Å; F262-V280 HydrophobicContact CB-CB 4.28Å; F262-V280 HydrophobicContact CB-CG1 4.41Å; F262-V280 HydrophobicContact CB-CG2 3.97Å; F262-V280 HydrophobicContact CD1-CB 4.43Å; F262-V280 HydrophobicContact CD1-CG1 3.83Å; F262-V280 HydrophobicContact CD1-CG2 4.03Å; F262-V280 HydrophobicContact CD2-CG1 4.26Å; F262-V280 HydrophobicContact CE1-CG1 4.11Å; F262-V280 HydrophobicContact CG-CB 4.32Å; F262-V280 HydrophobicContact CG-CG1 3.91Å; F262-V280 HydrophobicContact CG-CG2 4.19Å; F262-V280 HydrophobicContact CZ-CG1 4.44Å; F262-F298 HydrophobicContact CE1-CD1 4.44Å; F262-F298 HydrophobicContact CE1-CE1 4.39Å; F262-F298 HydrophobicContact CE2-CE1 4.14Å; F262-F298 HydrophobicContact CZ-CD1 4.02Å; F262-F298 AromaticContact CZ-CE1 3.56Å; F262-F298 HydrophobicContact CZ-CE1 3.56Å; F262-F298 HydrophobicContact CZ-CZ 4.05Å; F262-F300 HydrophobicContact CD1-CE1 4.17Å; F262-F300 AromaticContact CE1-CE1 3.69Å; F262-F300 HydrophobicContact CE1-CE1 3.69Å; F262-F300 AromaticContact CE1-CZ 3.98Å; F262-F300 HydrophobicContact CE1-CZ 3.98Å |
| 263 | T | 93.9 | Very high | 89.3 | Confident | 20 Ų | 20 | 68.5 Ų | 68.5 | 12% | 0.123 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 103 | 178 | 59.2 | 0 | 0 | 0 | 0 | 110.6 | V256 K265 T271 | V256-T263 WeakPolarHBondContact CA-OG1 3.43Å; V256-T263 PolarHBondContact O-N 2.85Å; V256-T263 PolarHBondContact O-OG1 2.87Å; T263-K265 PolarHBondContact O-N 2.9Å; T263-T271 HydrophobicContact CG2-CG2 4.23Å |
| 264 | Y | 93.1 | Very high | 89.2 | Confident | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 118.8 | 172.6 | -174.2 | -106.6 | 0 | 0 | 0 | 109.4 | F262 L272 S273 F298 F300 W303 Q304 L317 R318 | F262-Y264 HydrophobicContact CE1-CD2 4.1Å; F262-Y264 HydrophobicContact CE1-CG 4.47Å; F262-Y264 HydrophobicContact CZ-CD2 4.4Å; Y264-L272 HydrophobicContact CD1-CB 4.08Å; Y264-L272 HydrophobicContact CD1-CD1 4.11Å; Y264-L272 HydrophobicContact CE1-CD1 3.91Å; Y264-L272 PolarHBondContact O-N 2.83Å; Y264-S273 PolarHBondContact N-O 3.4Å; Y264-S273 PolarHBondContact O-N 2.6Å; Y264-F298 HydrophobicContact CD2-CE2 4.42Å; Y264-F298 HydrophobicContact CE2-CD2 4.14Å; Y264-F298 AromaticContact CE2-CE2 3.98Å; Y264-F298 HydrophobicContact CE2-CE2 3.98Å; Y264-F300 HydrophobicContact CD2-CE2 4.26Å; Y264-F300 AromaticContact CD2-CZ 3.62Å; Y264-F300 HydrophobicContact CD2-CZ 3.62Å; Y264-F300 HydrophobicContact CE2-CE2 4.49Å; Y264-F300 HydrophobicContact CE2-CZ 4.09Å; Y264-F300 HydrophobicContact CG-CE2 4.32Å; Y264-F300 AromaticContact CG-CZ 3.94Å; Y264-F300 HydrophobicContact CG-CZ 3.94Å; Y264-W303 PolarHBondContact OH-O 3.08Å; Y264-Q304 HydrophobicContact CE2-CG 3.86Å; Y264-L317 PolarHBondContact OH-N 2.96Å; Y264-L317 VanDerWaalsContact OH-N 3.08Å; Y264-L317 PolarHBondContact OH-O 3.35Å; Y264-R318 HydrophobicContact CD1-CB 4.29Å; Y264-R318 HydrophobicContact CE1-CB 3.8Å |
| 265 | K | 92.5 | Very high | 89.2 | Confident | 21 Ų | 21 | 67.7 Ų | 67.7 | 9% | 0.091 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 158.9 | -172.5 | -62.8 | 171.6 | -168 | 168.2 | 0 | 112.8 | D253 S255 V256 T263 K270 | D253-K265 IonicContact OD1-NZ 3.36Å; D253-K265 PolarHBondContact OD1-NZ 3.02Å; D253-K265 IonicContact OD2-NZ 2.67Å; D253-K265 PolarHBondContact OD2-NZ 3.06Å; S255-K265 PolarHBondContact O-NZ 2.95Å; S255-K265 PolarHBondContact OG-NZ 2.93Å; V256-K265 HydrophobicContact CG1-CD 4.28Å; T263-K265 PolarHBondContact O-N 2.9Å; K265-K270 CarbonylContact C-O 3.57Å; K265-K270 WeakPolarHBondContact CA-O 3.35Å |
| 266 | S | 91.4 | Very high | 89.3 | Confident | 14 Ų | 14 | 69 Ų | 69 | 10% | 0.098 | 37% | 0.365 | C | S | . | . | trans | -77.7 | 166.7 | 163.7 | 69.1 | 0 | 0 | 0 | 0 | 112 | S268 G269 K270 | S266-S268 PolarHBondContact O-N 2.88Å; S266-S268 VanDerWaalsContact O-N 3.16Å; S266-S268 PolarHBondContact OG-N 3.05Å; S266-S268 PolarHBondContact OG-OG 2.8Å; S266-G269 WeakPolarHBondContact O-CA 3.19Å; S266-G269 PolarHBondContact O-N 3.34Å; S266-G269 PolarHBondContact OG-N 2.94Å; S266-K270 PolarHBondContact N-O 3.37Å; S266-K270 WeakPolarHBondContact OG-CB 3.26Å; S266-K270 PolarHBondContact OG-N 3.15Å; S266-K270 PolarHBondContact OG-O 2.97Å | ||
| 267 | V | 90.2 | Very high | 89.3 | Confident | 78 Ų | 78 | 68.7 Ų | 68.7 | 47% | 0.473 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | -31.4 | 165.8 | 175.5 | 0 | 0 | 0 | 0 | 112.6 | G269 M313 E314 | V267-G269 VanDerWaalsContact C-N 3.29Å; V267-G269 PolarHBondContact O-N 2.95Å; V267-M313 HydrophobicContact CG2-CG 4.3Å; V267-M313 HydrophobicContact CG2-SD 4.26Å; V267-E314 WeakPolarHBondContact CG2-O 3.26Å |
| 268 | S | 87.8 | Confident | 89.3 | Confident | 104 Ų | 104 | 69.1 Ų | 69.1 | 73% | 0.727 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | 12.5 | 175 | 55.5 | 0 | 0 | 0 | 0 | 114.5 | S266 K270 | S266-S268 PolarHBondContact O-N 2.88Å; S266-S268 VanDerWaalsContact O-N 3.16Å; S266-S268 PolarHBondContact OG-N 3.05Å; S266-S268 PolarHBondContact OG-OG 2.8Å; S268-K270 PolarHBondContact O-N 3.31Å |
| 269 | G | 86.9 | Confident | 89.4 | Confident | 48 Ų | 48 | 63.2 Ų | 63.2 | 50% | 0.495 | 36% | 0.364 | S | S | . | . | S | Bend | trans | 74.2 | -3.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | S266 V267 T271 | S266-G269 WeakPolarHBondContact O-CA 3.19Å; S266-G269 PolarHBondContact O-N 3.34Å; S266-G269 PolarHBondContact OG-N 2.94Å; V267-G269 VanDerWaalsContact C-N 3.29Å; V267-G269 PolarHBondContact O-N 2.95Å; G269-T271 PolarHBondContact O-N 3.21Å |
| 270 | K | 89.4 | Confident | 90 | Very high | 152 Ų | 152 | 50.7 Ų | 50.7 | 66% | 0.661 | 32% | 0.317 | S | S | * | . | trans | -72.3 | 126.2 | 178.9 | -179.7 | -177.1 | 176.5 | -179.3 | 0 | 110.1 | K265 S266 S268 L272 | K265-K270 CarbonylContact C-O 3.57Å; K265-K270 WeakPolarHBondContact CA-O 3.35Å; S266-K270 PolarHBondContact N-O 3.37Å; S266-K270 WeakPolarHBondContact OG-CB 3.26Å; S266-K270 PolarHBondContact OG-N 3.15Å; S266-K270 PolarHBondContact OG-O 2.97Å; S268-K270 PolarHBondContact O-N 3.31Å; K270-L272 PolarHBondContact O-N 3.38Å | ||
| 271 | T | 90.8 | Very high | 90.4 | Very high | 70 Ų | 70 | 49.2 Ų | 49.2 | 43% | 0.429 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.4 | 122.6 | 172 | -51.4 | 0 | 0 | 0 | 0 | 110.9 | T263 G269 | T263-T271 HydrophobicContact CG2-CG2 4.23Å; G269-T271 PolarHBondContact O-N 3.21Å |
| 272 | L | 88 | Confident | 90.6 | Very high | 91 Ų | 91 | 46.5 Ų | 46.5 | 48% | 0.476 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | -30.4 | 174.5 | -63.6 | 175.2 | 0 | 0 | 0 | 111.4 | Y264 K270 | Y264-L272 HydrophobicContact CD1-CB 4.08Å; Y264-L272 HydrophobicContact CD1-CD1 4.11Å; Y264-L272 HydrophobicContact CE1-CD1 3.91Å; Y264-L272 PolarHBondContact O-N 2.83Å; K270-L272 PolarHBondContact O-N 3.38Å |
| 273 | S | 87.7 | Confident | 90.6 | Very high | 16 Ų | 16 | 47.6 Ų | 47.6 | 11% | 0.112 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.8 | 143.8 | 169.8 | 54.6 | 0 | 0 | 0 | 0 | 112 | Y264 R318 | Y264-S273 PolarHBondContact N-O 3.4Å; Y264-S273 PolarHBondContact O-N 2.6Å; S273-R318 PolarHBondContact OG-NH1 3.06Å |
| 274 | S | 90 | Very high | 90.7 | Very high | 59 Ų | 59 | 47 Ų | 47 | 41% | 0.413 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 146.3 | 157.5 | -131.8 | 0 | 0 | 0 | 0 | 110.1 | D261 | D261-S274 VanDerWaalsContact CG-OG 3.28Å; D261-S274 WeakPolarHBondContact OD2-CB 3.49Å; D261-S274 PolarHBondContact OD2-OG 3.26Å |
| 275 | I | 89.9 | Confident | 90.8 | Very high | 24 Ų | 24 | 48 Ų | 48 | 12% | 0.123 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 132.8 | 179 | -51.3 | 176.3 | 0 | 0 | 0 | 107.5 | F262 S277 V280 F300 | F262-I275 PolarHBondContact N-O 3.47Å; F262-I275 PolarHBondContact O-N 3.3Å; I275-S277 PolarHBondContact O-N 2.9Å; I275-V280 HydrophobicContact CB-CG2 3.93Å; I275-V280 HydrophobicContact CG2-CG2 3.61Å; I275-F300 HydrophobicContact CD1-CB 4.25Å; I275-F300 HydrophobicContact CD1-CD1 3.53Å; I275-F300 HydrophobicContact CD1-CD2 3.8Å; I275-F300 HydrophobicContact CD1-CE1 3.72Å; I275-F300 HydrophobicContact CD1-CE2 3.98Å; I275-F300 HydrophobicContact CD1-CG 3.58Å; I275-F300 HydrophobicContact CD1-CZ 3.95Å |
| 276 | P | 91.1 | Very high | 90.8 | Very high | 80 Ų | 80 | 48.1 Ų | 48.1 | 52% | 0.519 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.2 | 122.4 | 177.1 | -28 | 36 | 0 | 0 | 0 | 111.9 | D261 A278 G279 | D261-P276 WeakPolarHBondContact OD1-CA 3.46Å; P276-A278 PolarHBondContact O-N 2.77Å; P276-G279 PolarHBondContact O-N 3.24Å; P276-G279 VanDerWaalsContact O-N 3.09Å |
| 277 | S | 90.8 | Very high | 90.9 | Very high | 3 Ų | 3 | 48.2 Ų | 48.2 | 2% | 0.021 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -64.1 | -28.4 | -166.7 | 75 | 0 | 0 | 0 | 0 | 112.9 | Q194 N260 I275 G279 V280 | Q194-S277 WeakPolarHBondContact CA-O 3.43Å; N260-S277 WeakPolarHBondContact O-CB 3.43Å; N260-S277 PolarHBondContact O-N 2.84Å; N260-S277 PolarHBondContact O-OG 3.46Å; I275-S277 PolarHBondContact O-N 2.9Å; S277-G279 PolarHBondContact O-N 2.96Å; S277-G279 VanDerWaalsContact O-N 3.15Å; S277-V280 PolarHBondContact O-N 2.88Å |
| 278 | A | 87.4 | Confident | 90.9 | Very high | 54 Ų | 54 | 44.7 Ų | 44.7 | 45% | 0.446 | 28% | 0.279 | S | S | . | . | G | 310 helix | trans | -57 | -27 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114 | P276 F360 | P276-A278 PolarHBondContact O-N 2.77Å; A278-F360 HydrophobicContact CB-CE2 3.95Å; A278-F360 HydrophobicContact CB-CZ 3.82Å |
| 279 | G | 86.6 | Confident | 90.8 | Very high | 44 Ų | 44 | 41.8 Ų | 41.8 | 45% | 0.454 | 26% | 0.257 | S | S | . | . | G | 310 helix | trans | -95.5 | -3.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | P276 S277 S299 | P276-G279 PolarHBondContact O-N 3.24Å; P276-G279 VanDerWaalsContact O-N 3.09Å; S277-G279 PolarHBondContact O-N 2.96Å; S277-G279 VanDerWaalsContact O-N 3.15Å; G279-S299 PolarHBondContact O-OG 3.08Å |
| 280 | V | 92.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 24% | 0.236 | C | C | . | . | trans | -98.8 | 133.8 | -179.6 | -176.3 | 0 | 0 | 0 | 0 | 109.9 | Q194 F262 I275 S277 F298 S299 F300 | Q194-V280 WeakPolarHBondContact CA-O 3.23Å; Q194-V280 PolarHBondContact N-O 3.48Å; F262-V280 HydrophobicContact CB-CB 4.28Å; F262-V280 HydrophobicContact CB-CG1 4.41Å; F262-V280 HydrophobicContact CB-CG2 3.97Å; F262-V280 HydrophobicContact CD1-CB 4.43Å; F262-V280 HydrophobicContact CD1-CG1 3.83Å; F262-V280 HydrophobicContact CD1-CG2 4.03Å; F262-V280 HydrophobicContact CD2-CG1 4.26Å; F262-V280 HydrophobicContact CE1-CG1 4.11Å; F262-V280 HydrophobicContact CG-CB 4.32Å; F262-V280 HydrophobicContact CG-CG1 3.91Å; F262-V280 HydrophobicContact CG-CG2 4.19Å; F262-V280 HydrophobicContact CZ-CG1 4.44Å; I275-V280 HydrophobicContact CB-CG2 3.93Å; I275-V280 HydrophobicContact CG2-CG2 3.61Å; S277-V280 PolarHBondContact O-N 2.88Å; V280-F298 HydrophobicContact CG1-CD1 4.29Å; V280-S299 WeakPolarHBondContact CA-OG 3.16Å; V280-F300 HydrophobicContact CG1-CD1 4.22Å; V280-F300 HydrophobicContact CG1-CE1 4.05Å; V280-F300 HydrophobicContact CG2-CD1 4.22Å | ||
| 281 | Y | 93.8 | Very high | 90.7 | Very high | 96 Ų | 96 | 33.2 Ų | 33.2 | 38% | 0.376 | 21% | 0.207 | S | C | . | . | B | Isolated β-bridge | trans | -148.3 | 159.5 | 165.4 | 59.5 | -90.3 | 0 | 0 | 0 | 110 | S283 F298 S299 | Y281-S283 VanDerWaalsContact CE2-CB 3.49Å; Y281-S283 PolarHBondContact O-N 2.99Å; Y281-F298 WeakPolarHBondContact O-CA 3.45Å; Y281-S299 VanDerWaalsContact CD1-CB 3.44Å; Y281-S299 PolarHBondContact N-OG 2.84Å; Y281-S299 PolarHBondContact O-N 2.96Å |
| 282 | V | 95.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 103.2 | 172.9 | -174.2 | 0 | 0 | 0 | 0 | 108.4 | T138 S139 F192 L196 V197 A284 L285 V296 G297 F298 | T138-V282 PolarHBondContact OG1-N 3.12Å; T138-V282 PolarHBondContact OG1-O 2.97Å; T138-V282 VanDerWaalsContact OG1-O 3.08Å; S139-V282 VanDerWaalsContact OG-CG1 3.26Å; S139-V282 WeakPolarHBondContact OG-CG1 3.44Å; S139-V282 PolarHBondContact OG-O 2.8Å; F192-V282 PolarHBondContact O-N 3.02Å; L196-V282 WeakPolarHBondContact O-CG2 3.08Å; V197-V282 HydrophobicContact CG2-CG2 3.94Å; V282-A284 WeakPolarHBondContact CG1-O 3.24Å; V282-L285 HydrophobicContact CG1-CD1 4.43Å; V282-V296 HydrophobicContact CG1-CG1 3.85Å; V282-V296 HydrophobicContact CG2-CG1 4.49Å; V282-G297 CarbonylContact C-O 3.59Å; V282-G297 WeakPolarHBondContact CA-O 3.38Å; V282-F298 HydrophobicContact CG2-CD1 4.44Å; V282-F298 HydrophobicContact CG2-CE1 4.19Å |
| 283 | S | 93.8 | Very high | 90.7 | Very high | 25 Ų | 25 | 25.9 Ų | 25.9 | 18% | 0.175 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | -17.3 | -172.4 | 58.7 | 0 | 0 | 0 | 0 | 114 | Y281 G297 F298 S299 V326 | Y281-S283 VanDerWaalsContact CE2-CB 3.49Å; Y281-S283 PolarHBondContact O-N 2.99Å; S283-G297 PolarHBondContact N-O 3.34Å; S283-G297 PolarHBondContact OG-O 2.96Å; S283-F298 PolarHBondContact OG-O 2.86Å; S283-S299 PolarHBondContact OG-N 3.1Å; S283-V326 CarbonylContact C-O 3.46Å; S283-V326 VanDerWaalsContact C-O 3.22Å; S283-V326 VanDerWaalsContact CB-O 3.25Å; S283-V326 WeakPolarHBondContact CB-O 3.31Å; S283-V326 PolarHBondContact OG-N 3.13Å; S283-V326 PolarHBondContact OG-O 2.89Å |
| 284 | A | 94.6 | Very high | 91.1 | Very high | 8 Ų | 8 | 25.1 Ų | 25.1 | 7% | 0.066 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 146.1 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | V282 G297 V326 F329 | V282-A284 WeakPolarHBondContact CG1-O 3.24Å; A284-G297 PolarHBondContact N-O 3.15Å; A284-G297 PolarHBondContact O-N 3.4Å; A284-V326 HydrophobicContact CB-CG1 4.21Å; A284-V326 VanDerWaalsContact CB-O 3.27Å; A284-V326 WeakPolarHBondContact CB-O 3.34Å; A284-V326 PolarHBondContact N-O 2.89Å; A284-F329 HydrophobicContact CB-CD2 3.98Å; A284-F329 HydrophobicContact CB-CE2 3.7Å |
| 285 | L | 95.5 | Very high | 91.4 | Very high | 20 Ų | 20 | 22.3 Ų | 22.3 | 11% | 0.105 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 133.1 | 179 | -165.6 | 60.6 | 0 | 0 | 0 | 106.9 | E141 A189 V197 V282 L294 A295 V296 | E141-L285 HydrophobicContact CB-CB 4.4Å; E141-L285 HydrophobicContact CB-CD2 4.18Å; E141-L285 HydrophobicContact CB-CG 4.05Å; A189-L285 HydrophobicContact CB-CD2 3.78Å; A189-L285 HydrophobicContact CB-CG 4.29Å; A189-L285 VanDerWaalsContact O-CD2 3.28Å; A189-L285 WeakPolarHBondContact O-CD2 3.42Å; V197-L285 HydrophobicContact CG1-CD1 4.38Å; V282-L285 HydrophobicContact CG1-CD1 4.43Å; L285-L294 HydrophobicContact CD1-CD1 4.02Å; L285-L294 HydrophobicContact CD1-CD2 4.01Å; L285-L294 HydrophobicContact CD1-CG 3.98Å; L285-L294 HydrophobicContact CG-CD1 4.25Å; L285-A295 WeakPolarHBondContact CA-O 3.44Å; L285-V296 HydrophobicContact CD1-CB 4.49Å; L285-V296 HydrophobicContact CD1-CG2 3.89Å |
| 286 | S | 94.1 | Very high | 91.8 | Very high | 24 Ų | 24 | 21.2 Ų | 21.2 | 17% | 0.168 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 135.3 | 178.3 | -177.6 | 0 | 0 | 0 | 0 | 112.3 | E141 A295 | E141-S286 WeakPolarHBondContact OE1-CA 3.27Å; S286-A295 PolarHBondContact N-O 2.83Å; S286-A295 PolarHBondContact O-N 2.75Å |
| 287 | Y | 92.8 | Very high | 92 | Very high | 17 Ų | 17 | 17.4 Ų | 17.4 | 7% | 0.067 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 136.3 | 175.2 | 174.7 | -123.5 | 0 | 0 | 0 | 111 | E141 L143 L181 P289 G293 L308 | E141-Y287 PolarHBondContact OE1-N 2.94Å; L143-Y287 HydrophobicContact CB-CD1 4.4Å; L143-Y287 HydrophobicContact CD2-CD2 4.06Å; L143-Y287 HydrophobicContact CD2-CE2 4.41Å; L143-Y287 HydrophobicContact CD2-CG 4.19Å; L143-Y287 HydrophobicContact CG-CD1 4.09Å; L143-Y287 HydrophobicContact CG-CD2 4.29Å; L143-Y287 HydrophobicContact CG-CG 3.9Å; L181-Y287 HydrophobicContact CD1-CE1 4.43Å; L181-Y287 HydrophobicContact CD1-CE2 4.18Å; L181-Y287 WeakPolarHBondContact CD1-OH 3.43Å; Y287-P289 HydrophobicContact CD1-CG 4.13Å; Y287-P289 HydrophobicContact CE1-CB 4.28Å; Y287-P289 HydrophobicContact CE1-CG 3.82Å; Y287-G293 WeakPolarHBondContact CD2-O 3.21Å; Y287-L308 HydrophobicContact CD2-CD1 3.84Å; Y287-L308 HydrophobicContact CE2-CD1 3.77Å |
| 288 | I | 90.5 | Very high | 92.2 | Very high | 4 Ų | 4 | 17.4 Ų | 17.4 | 2% | 0.021 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 96.3 | -176.1 | -52.1 | 175.5 | 0 | 0 | 0 | 108.4 | Q290 L291 Q292 G293 A295 F331 I344 | I288-Q290 VanDerWaalsContact C-N 3.32Å; I288-Q290 PolarHBondContact O-N 3.47Å; I288-L291 HydrophobicContact CB-CB 4.36Å; I288-L291 HydrophobicContact CB-CD1 4.29Å; I288-L291 HydrophobicContact CB-CG 4.29Å; I288-L291 HydrophobicContact CD1-CD1 4.09Å; I288-L291 HydrophobicContact CG2-CB 4.18Å; I288-L291 HydrophobicContact CG2-CD1 3.89Å; I288-L291 HydrophobicContact CG2-CG 3.67Å; I288-L291 PolarHBondContact O-N 2.89Å; I288-L291 VanDerWaalsContact O-N 3.1Å; I288-Q292 PolarHBondContact O-N 3.34Å; I288-Q292 VanDerWaalsContact O-N 3.07Å; I288-G293 PolarHBondContact N-O 2.97Å; I288-G293 PolarHBondContact O-N 2.86Å; I288-G293 VanDerWaalsContact O-N 3.15Å; I288-A295 HydrophobicContact CD1-CB 4.37Å; I288-F331 HydrophobicContact CD1-CB 4.43Å; I288-F331 HydrophobicContact CG1-CB 4.49Å; I288-F331 HydrophobicContact CG2-CB 3.78Å; I288-F331 HydrophobicContact CG2-CD1 4.17Å; I288-F331 HydrophobicContact CG2-CD2 3.52Å; I288-F331 HydrophobicContact CG2-CE2 4.08Å; I288-F331 HydrophobicContact CG2-CG 3.56Å; I288-I344 HydrophobicContact CD1-CD1 3.73Å |
| 289 | P | 84.2 | Confident | 92.5 | Very high | 42 Ų | 42 | 15.5 Ų | 15.5 | 27% | 0.273 | 9% | 0.094 | S | C | . | . | G | 310 helix | trans | -57.9 | -37.7 | -173.9 | -27 | 34.7 | 0 | 0 | 0 | 114.6 | Y287 L291 Q292 Y401 | Y287-P289 HydrophobicContact CD1-CG 4.13Å; Y287-P289 HydrophobicContact CE1-CB 4.28Å; Y287-P289 HydrophobicContact CE1-CG 3.82Å; P289-L291 PolarHBondContact O-N 3.04Å; P289-Q292 PolarHBondContact O-N 3.4Å; P289-Y401 WeakPolarHBondContact O-CE1 3.26Å |
| 290 | Q | 85.7 | Confident | 92.7 | Very high | 12 Ų | 12 | 14.2 Ų | 14.2 | 6% | 0.056 | 8% | 0.075 | C | C | . | . | G | 310 helix | trans | -63.9 | -26.4 | 179.8 | -60 | 87.3 | -20 | 0 | 0 | 112.6 | I288 F331 F400 Y401 Y402 V468 | I288-Q290 VanDerWaalsContact C-N 3.32Å; I288-Q290 PolarHBondContact O-N 3.47Å; Q290-F331 HydrophobicContact CB-CE1 3.85Å; Q290-F331 HydrophobicContact CB-CZ 3.85Å; Q290-F331 HydrophobicContact CG-CD1 4.41Å; Q290-F331 HydrophobicContact CG-CE1 3.71Å; Q290-F331 HydrophobicContact CG-CZ 4.22Å; Q290-F400 WeakPolarHBondContact CB-O 3.28Å; Q290-Y401 CarbonylContact O-C 3.47Å; Q290-Y401 WeakPolarHBondContact O-CA 3.49Å; Q290-Y402 HydrophobicContact CB-CD2 4.45Å; Q290-Y402 PolarHBondContact O-N 2.86Å; Q290-V468 HydrophobicContact CG-CG1 4.34Å; Q290-V468 VanDerWaalsContact NE2-CG1 3.35Å |
| 291 | L | 89.3 | Confident | 92.6 | Very high | 8 Ų | 8 | 14.3 Ų | 14.3 | 4% | 0.042 | 8% | 0.076 | C | C | . | . | G | 310 helix | trans | -99.1 | -8.9 | 176.5 | -53.3 | -174.5 | 0 | 0 | 0 | 112.3 | I288 P289 G293 L305 F331 L382 Y384 Y402 | I288-L291 HydrophobicContact CB-CB 4.36Å; I288-L291 HydrophobicContact CB-CD1 4.29Å; I288-L291 HydrophobicContact CB-CG 4.29Å; I288-L291 HydrophobicContact CD1-CD1 4.09Å; I288-L291 HydrophobicContact CG2-CB 4.18Å; I288-L291 HydrophobicContact CG2-CD1 3.89Å; I288-L291 HydrophobicContact CG2-CG 3.67Å; I288-L291 PolarHBondContact O-N 2.89Å; I288-L291 VanDerWaalsContact O-N 3.1Å; P289-L291 PolarHBondContact O-N 3.04Å; L291-G293 PolarHBondContact O-N 2.89Å; L291-L305 HydrophobicContact CD1-CD2 4.46Å; L291-F331 HydrophobicContact CD1-CD2 4.25Å; L291-F331 HydrophobicContact CD1-CE2 4.09Å; L291-F331 HydrophobicContact CD2-CE2 3.9Å; L291-F331 HydrophobicContact CD2-CZ 4.4Å; L291-F331 HydrophobicContact CG-CD2 4.43Å; L291-F331 HydrophobicContact CG-CE2 3.95Å; L291-L382 HydrophobicContact CD1-CD2 3.8Å; L291-Y384 HydrophobicContact CD2-CD2 4.49Å; L291-Y384 HydrophobicContact CD2-CE2 3.62Å; L291-Y402 HydrophobicContact CD2-CD2 4.41Å; L291-Y402 HydrophobicContact CD2-CG 4.24Å |
| 292 | Q | 88.1 | Confident | 92.6 | Very high | 6 Ų | 6 | 9.7 Ų | 9.7 | 3% | 0.028 | 6% | 0.059 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 45.3 | 40.4 | -161.1 | -57.7 | -176 | -56.8 | 0 | 0 | 111.3 | I288 P289 L308 Y401 | I288-Q292 PolarHBondContact O-N 3.34Å; I288-Q292 VanDerWaalsContact O-N 3.07Å; P289-Q292 PolarHBondContact O-N 3.4Å; Q292-L308 VanDerWaalsContact O-CB 3.31Å; Q292-L308 WeakPolarHBondContact O-CB 3.46Å; Q292-L308 PolarHBondContact O-N 2.92Å; Q292-Y401 HydrophobicContact CG-CD1 4.35Å |
| 293 | G | 91.8 | Very high | 92.6 | Very high | 2 Ų | 2 | 9.7 Ų | 9.7 | 2% | 0.021 | 6% | 0.059 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 148 | -164.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y287 I288 L291 W306 | Y287-G293 WeakPolarHBondContact CD2-O 3.21Å; I288-G293 PolarHBondContact N-O 2.97Å; I288-G293 PolarHBondContact O-N 2.86Å; I288-G293 VanDerWaalsContact O-N 3.15Å; L291-G293 PolarHBondContact O-N 2.89Å; G293-W306 CarbonylContact C-O 3.59Å; G293-W306 WeakPolarHBondContact CA-O 3.46Å |
| 294 | L | 95.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 8.8 Ų | 8.8 | 0% | 0 | 5% | 0.051 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 118.1 | 177.9 | -171.5 | 73.6 | 0 | 0 | 0 | 109.8 | A189 V197 L252 L285 V296 W306 L308 | A189-L294 HydrophobicContact CB-CD1 3.77Å; A189-L294 HydrophobicContact CB-CD2 3.94Å; V197-L294 HydrophobicContact CG1-CD2 4.04Å; L252-L294 HydrophobicContact CD1-CD2 3.95Å; L285-L294 HydrophobicContact CD1-CD1 4.02Å; L285-L294 HydrophobicContact CD1-CD2 4.01Å; L285-L294 HydrophobicContact CD1-CG 3.98Å; L285-L294 HydrophobicContact CG-CD1 4.25Å; L294-V296 HydrophobicContact CD2-CG2 4.28Å; L294-V296 HydrophobicContact CG-CG2 4.3Å; L294-W306 HydrophobicContact CB-CB 4.44Å; L294-W306 PolarHBondContact N-O 2.82Å; L294-W306 PolarHBondContact O-N 3.09Å; L294-L308 HydrophobicContact CB-CD1 4.31Å; L294-L308 HydrophobicContact CB-CD2 4.01Å; L294-L308 HydrophobicContact CB-CG 4.31Å |
| 295 | A | 96.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 8.5 Ų | 8.5 | 0% | 0 | 5% | 0.049 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 126.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | L285 S286 I288 Q304 L305 F329 I344 | L285-A295 WeakPolarHBondContact CA-O 3.44Å; S286-A295 PolarHBondContact N-O 2.83Å; S286-A295 PolarHBondContact O-N 2.75Å; I288-A295 HydrophobicContact CD1-CB 4.37Å; A295-Q304 WeakPolarHBondContact CA-O 3.36Å; A295-L305 HydrophobicContact CB-CD1 4.39Å; A295-F329 HydrophobicContact CB-CB 4.14Å; A295-F329 HydrophobicContact CB-CD1 3.79Å; A295-F329 HydrophobicContact CB-CD2 3.74Å; A295-F329 HydrophobicContact CB-CE1 4.08Å; A295-F329 HydrophobicContact CB-CE2 4.03Å; A295-F329 HydrophobicContact CB-CG 3.61Å; A295-F329 HydrophobicContact CB-CZ 4.2Å; A295-I344 HydrophobicContact CB-CD1 4.18Å |
| 296 | V | 97.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 8.2 Ų | 8.2 | 0% | 0 | 5% | 0.046 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 124.7 | -175.9 | -177.3 | 0 | 0 | 0 | 0 | 108.9 | V197 V282 L285 L294 F298 W303 Q304 | V197-V296 HydrophobicContact CG1-CG2 4.41Å; V197-V296 HydrophobicContact CG2-CG1 3.61Å; V197-V296 HydrophobicContact CG2-CG2 4.15Å; V282-V296 HydrophobicContact CG1-CG1 3.85Å; V282-V296 HydrophobicContact CG2-CG1 4.49Å; L285-V296 HydrophobicContact CD1-CB 4.49Å; L285-V296 HydrophobicContact CD1-CG2 3.89Å; L294-V296 HydrophobicContact CD2-CG2 4.28Å; L294-V296 HydrophobicContact CG-CG2 4.3Å; V296-F298 HydrophobicContact CB-CE2 4.37Å; V296-F298 HydrophobicContact CB-CZ 4.5Å; V296-F298 HydrophobicContact CG1-CD2 4.46Å; V296-F298 HydrophobicContact CG1-CE1 4.1Å; V296-F298 HydrophobicContact CG1-CE2 3.71Å; V296-F298 HydrophobicContact CG1-CZ 3.51Å; V296-W303 CarbonylContact O-C 3.59Å; V296-W303 WeakPolarHBondContact O-CA 3.02Å; V296-W303 WeakPolarHBondContact O-CB 3.43Å; V296-Q304 HydrophobicContact CB-CB 4.44Å; V296-Q304 PolarHBondContact N-O 3.18Å; V296-Q304 PolarHBondContact O-N 3.09Å |
| 297 | G | 95.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 7.4 Ų | 7.4 | 0% | 0 | 4% | 0.041 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 137.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | V282 S283 A284 | V282-G297 CarbonylContact C-O 3.59Å; V282-G297 WeakPolarHBondContact CA-O 3.38Å; S283-G297 PolarHBondContact N-O 3.34Å; S283-G297 PolarHBondContact OG-O 2.96Å; A284-G297 PolarHBondContact N-O 3.15Å; A284-G297 PolarHBondContact O-N 3.4Å |
| 298 | F | 95 | Very high | 92.5 | Very high | 3 Ų | 3 | 6.6 Ų | 6.6 | 1% | 0.013 | 4% | 0.038 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 152.1 | -172.6 | -61.2 | -88 | 0 | 0 | 0 | 112.9 | F262 Y264 V280 Y281 V282 S283 V296 F300 G301 G302 Q304 V326 | F262-F298 HydrophobicContact CE1-CD1 4.44Å; F262-F298 HydrophobicContact CE1-CE1 4.39Å; F262-F298 HydrophobicContact CE2-CE1 4.14Å; F262-F298 HydrophobicContact CZ-CD1 4.02Å; F262-F298 AromaticContact CZ-CE1 3.56Å; F262-F298 HydrophobicContact CZ-CE1 3.56Å; F262-F298 HydrophobicContact CZ-CZ 4.05Å; Y264-F298 HydrophobicContact CD2-CE2 4.42Å; Y264-F298 HydrophobicContact CE2-CD2 4.14Å; Y264-F298 AromaticContact CE2-CE2 3.98Å; Y264-F298 HydrophobicContact CE2-CE2 3.98Å; V280-F298 HydrophobicContact CG1-CD1 4.29Å; Y281-F298 WeakPolarHBondContact O-CA 3.45Å; V282-F298 HydrophobicContact CG2-CD1 4.44Å; V282-F298 HydrophobicContact CG2-CE1 4.19Å; S283-F298 PolarHBondContact OG-O 2.86Å; V296-F298 HydrophobicContact CB-CE2 4.37Å; V296-F298 HydrophobicContact CB-CZ 4.5Å; V296-F298 HydrophobicContact CG1-CD2 4.46Å; V296-F298 HydrophobicContact CG1-CE1 4.1Å; V296-F298 HydrophobicContact CG1-CE2 3.71Å; V296-F298 HydrophobicContact CG1-CZ 3.51Å; F298-F300 HydrophobicContact CB-CD1 3.77Å; F298-F300 HydrophobicContact CB-CE1 3.36Å; F298-F300 HydrophobicContact CB-CE2 4.38Å; F298-F300 HydrophobicContact CB-CG 4.43Å; F298-F300 HydrophobicContact CB-CZ 3.7Å; F298-F300 HydrophobicContact CD1-CE1 4.12Å; F298-F300 HydrophobicContact CD2-CZ 4.22Å; F298-F300 AromaticContact CG-CE1 3.77Å; F298-F300 HydrophobicContact CG-CE1 3.77Å; F298-F300 AromaticContact CG-CZ 3.92Å; F298-F300 HydrophobicContact CG-CZ 3.92Å; F298-F300 PolarHBondContact O-N 3.33Å; F298-G301 PolarHBondContact O-N 2.63Å; F298-G302 WeakPolarHBondContact CD2-O 2.94Å; F298-G302 PolarHBondContact N-O 3.21Å; F298-Q304 HydrophobicContact CE2-CG 4.1Å; F298-V326 PolarHBondContact O-N 2.84Å |
| 299 | S | 92.7 | Very high | 92.2 | Very high | 15 Ų | 15 | 8 Ų | 8 | 11% | 0.105 | 5% | 0.045 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | -29 | -179.7 | 65.1 | 0 | 0 | 0 | 0 | 114.9 | G279 V280 Y281 S283 T324 P325 | G279-S299 PolarHBondContact O-OG 3.08Å; V280-S299 WeakPolarHBondContact CA-OG 3.16Å; Y281-S299 VanDerWaalsContact CD1-CB 3.44Å; Y281-S299 PolarHBondContact N-OG 2.84Å; Y281-S299 PolarHBondContact O-N 2.96Å; S283-S299 PolarHBondContact OG-N 3.1Å; S299-T324 CarbonylContact O-C 3.51Å; S299-P325 WeakPolarHBondContact O-CA 3.42Å |
| 300 | F | 91.1 | Very high | 92.2 | Very high | 16 Ų | 16 | 10.9 Ų | 10.9 | 7% | 0.07 | 5% | 0.051 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88 | 3.6 | -179.9 | 63.1 | -96.8 | 0 | 0 | 0 | 114.6 | F262 Y264 I275 V280 F298 R318 A323 | F262-F300 HydrophobicContact CD1-CE1 4.17Å; F262-F300 AromaticContact CE1-CE1 3.69Å; F262-F300 HydrophobicContact CE1-CE1 3.69Å; F262-F300 AromaticContact CE1-CZ 3.98Å; F262-F300 HydrophobicContact CE1-CZ 3.98Å; Y264-F300 HydrophobicContact CD2-CE2 4.26Å; Y264-F300 AromaticContact CD2-CZ 3.62Å; Y264-F300 HydrophobicContact CD2-CZ 3.62Å; Y264-F300 HydrophobicContact CE2-CE2 4.49Å; Y264-F300 HydrophobicContact CE2-CZ 4.09Å; Y264-F300 HydrophobicContact CG-CE2 4.32Å; Y264-F300 AromaticContact CG-CZ 3.94Å; Y264-F300 HydrophobicContact CG-CZ 3.94Å; I275-F300 HydrophobicContact CD1-CB 4.25Å; I275-F300 HydrophobicContact CD1-CD1 3.53Å; I275-F300 HydrophobicContact CD1-CD2 3.8Å; I275-F300 HydrophobicContact CD1-CE1 3.72Å; I275-F300 HydrophobicContact CD1-CE2 3.98Å; I275-F300 HydrophobicContact CD1-CG 3.58Å; I275-F300 HydrophobicContact CD1-CZ 3.95Å; V280-F300 HydrophobicContact CG1-CD1 4.22Å; V280-F300 HydrophobicContact CG1-CE1 4.05Å; V280-F300 HydrophobicContact CG2-CD1 4.22Å; F298-F300 HydrophobicContact CB-CD1 3.77Å; F298-F300 HydrophobicContact CB-CE1 3.36Å; F298-F300 HydrophobicContact CB-CE2 4.38Å; F298-F300 HydrophobicContact CB-CG 4.43Å; F298-F300 HydrophobicContact CB-CZ 3.7Å; F298-F300 HydrophobicContact CD1-CE1 4.12Å; F298-F300 HydrophobicContact CD2-CZ 4.22Å; F298-F300 AromaticContact CG-CE1 3.77Å; F298-F300 HydrophobicContact CG-CE1 3.77Å; F298-F300 AromaticContact CG-CZ 3.92Å; F298-F300 HydrophobicContact CG-CZ 3.92Å; F298-F300 PolarHBondContact O-N 3.33Å; F300-R318 HydrophobicContact CD2-CG 4.22Å; F300-R318 HydrophobicContact CE2-CG 4.02Å; F300-A323 HydrophobicContact CB-CB 4.4Å |
| 301 | G | 91.3 | Very high | 92.4 | Very high | 2 Ų | 2 | 10.3 Ų | 10.3 | 2% | 0.021 | 5% | 0.048 | C | C | . | . | S | Bend | trans | 89.1 | 12.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | F298 Q319 T324 W348 | F298-G301 PolarHBondContact O-N 2.63Å; G301-Q319 PolarHBondContact O-N 3.35Å; G301-T324 WeakPolarHBondContact CA-O 3.41Å; G301-T324 PolarHBondContact N-O 3.33Å; G301-W348 PolarHBondContact O-NE1 3.09Å |
| 302 | G | 92.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 6% | 0.061 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 157.7 | 166.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | F298 L317 V326 | F298-G302 WeakPolarHBondContact CD2-O 2.94Å; F298-G302 PolarHBondContact N-O 3.21Å; G302-L317 CarbonylContact C-O 3.45Å; G302-L317 WeakPolarHBondContact CA-O 3.47Å; G302-V326 WeakPolarHBondContact O-CG2 3.27Å |
| 303 | W | 95.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 6% | 0.064 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 162.2 | 169.3 | 71.3 | -83.3 | 0 | 0 | 0 | 112.8 | Y264 V296 L305 F315 C316 L317 V326 F329 I344 V346 F380 I408 | Y264-W303 PolarHBondContact OH-O 3.08Å; V296-W303 CarbonylContact O-C 3.59Å; V296-W303 WeakPolarHBondContact O-CA 3.02Å; V296-W303 WeakPolarHBondContact O-CB 3.43Å; W303-L305 HydrophobicContact CZ3-CB 4.18Å; W303-F315 AromaticContact CE2-CE1 3.88Å; W303-F315 HydrophobicContact CE3-CD1 4.43Å; W303-F315 AromaticContact CH2-CD1 3.68Å; W303-F315 HydrophobicContact CH2-CD1 3.68Å; W303-F315 AromaticContact CH2-CE1 3.8Å; W303-F315 HydrophobicContact CH2-CE1 3.8Å; W303-F315 AromaticContact CZ2-CD1 3.87Å; W303-F315 HydrophobicContact CZ2-CD1 3.87Å; W303-F315 AromaticContact CZ2-CE1 3.48Å; W303-F315 HydrophobicContact CZ2-CE1 3.48Å; W303-F315 VanDerWaalsContact CZ2-CE1 3.48Å; W303-F315 AromaticContact CZ3-CD1 3.99Å; W303-F315 HydrophobicContact CZ3-CD1 3.99Å; W303-F315 HydrophobicContact CZ3-CE1 4.44Å; W303-C316 WeakPolarHBondContact O-CA 3.28Å; W303-L317 PolarHBondContact N-O 2.63Å; W303-L317 PolarHBondContact O-N 2.82Å; W303-V326 HydrophobicContact CB-CG2 4.48Å; W303-F329 HydrophobicContact CB-CE1 3.88Å; W303-F329 HydrophobicContact CB-CZ 3.75Å; W303-F329 HydrophobicContact CD2-CE1 4.05Å; W303-F329 AromaticContact CE3-CE1 3.88Å; W303-F329 HydrophobicContact CE3-CE1 3.88Å; W303-F329 HydrophobicContact CG-CE1 4.1Å; W303-F329 HydrophobicContact CG-CZ 4.46Å; W303-I344 HydrophobicContact CH2-CG2 4.04Å; W303-V346 HydrophobicContact CD2-CG2 4.33Å; W303-V346 HydrophobicContact CG-CG1 4.48Å; W303-V346 HydrophobicContact CZ2-CG2 4.07Å; W303-F380 HydrophobicContact CZ2-CD1 4.36Å; W303-F380 HydrophobicContact CZ2-CD2 4.05Å; W303-F380 HydrophobicContact CZ2-CE2 4.28Å; W303-F380 HydrophobicContact CZ2-CG 4.1Å; W303-I408 HydrophobicContact CH2-CD1 4.14Å |
| 304 | Q | 95.9 | Very high | 92.8 | Very high | 5 Ų | 5 | 15.1 Ų | 15.1 | 2% | 0.023 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 154.5 | 177.6 | -71.2 | 169 | -10.6 | 0 | 0 | 110.2 | Y264 A295 V296 F298 M313 F315 C316 | Y264-Q304 HydrophobicContact CE2-CG 3.86Å; A295-Q304 WeakPolarHBondContact CA-O 3.36Å; V296-Q304 HydrophobicContact CB-CB 4.44Å; V296-Q304 PolarHBondContact N-O 3.18Å; V296-Q304 PolarHBondContact O-N 3.09Å; F298-Q304 HydrophobicContact CE2-CG 4.1Å; Q304-M313 HydrophobicContact CB-CG 4.49Å; Q304-M313 HydrophobicContact CG-CE 4.24Å; Q304-M313 HydrophobicContact CG-SD 4.02Å; Q304-M313 VanDerWaalsContact NE2-CE 3.3Å; Q304-F315 CarbonylContact C-O 3.45Å; Q304-F315 VanDerWaalsContact CA-O 3.27Å; Q304-F315 WeakPolarHBondContact CA-O 3.12Å; Q304-C316 HydrophobicContact CG-CB 4.11Å |
| 305 | L | 96.2 | Very high | 92.7 | Very high | 2 Ų | 2 | 17 Ų | 17 | 1% | 0.01 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 128.7 | 166.7 | -173 | 65.7 | 0 | 0 | 0 | 108.6 | L291 A295 W303 M313 E314 F315 L382 I408 | L291-L305 HydrophobicContact CD1-CD2 4.46Å; A295-L305 HydrophobicContact CB-CD1 4.39Å; W303-L305 HydrophobicContact CZ3-CB 4.18Å; L305-M313 CarbonylContact O-C 3.56Å; L305-E314 PolarHBondContact O-N 3.2Å; L305-F315 HydrophobicContact CB-CB 4.06Å; L305-F315 PolarHBondContact N-O 2.77Å; L305-F315 PolarHBondContact O-N 3.23Å; L305-L382 HydrophobicContact CD2-CD2 3.75Å; L305-I408 HydrophobicContact CD2-CD1 4.21Å |
| 306 | W | 95 | Very high | 92.6 | Very high | 15 Ų | 15 | 18 Ų | 18 | 6% | 0.057 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 126.1 | 179.1 | -68.3 | 80.9 | 0 | 0 | 0 | 110.1 | L252 D253 G293 L294 L311 N312 M313 | L252-W306 HydrophobicContact CB-CD2 4.5Å; L252-W306 HydrophobicContact CB-CE3 4.18Å; L252-W306 HydrophobicContact CB-CH2 4.17Å; L252-W306 HydrophobicContact CB-CZ2 4.47Å; L252-W306 HydrophobicContact CB-CZ3 4.02Å; L252-W306 HydrophobicContact CD1-CB 4.44Å; L252-W306 HydrophobicContact CD1-CD2 4Å; L252-W306 HydrophobicContact CD1-CE3 4.27Å; L252-W306 HydrophobicContact CD1-CG 4.09Å; D253-W306 HydrophobicContact CB-CH2 3.87Å; G293-W306 CarbonylContact C-O 3.59Å; G293-W306 WeakPolarHBondContact CA-O 3.46Å; L294-W306 HydrophobicContact CB-CB 4.44Å; L294-W306 PolarHBondContact N-O 2.82Å; L294-W306 PolarHBondContact O-N 3.09Å; W306-L311 VanDerWaalsContact CE3-O 3.22Å; W306-N312 CarbonylContact C-O 3.53Å; W306-N312 VanDerWaalsContact CA-O 3.31Å; W306-N312 WeakPolarHBondContact CA-O 3.43Å; W306-N312 VanDerWaalsContact CE3-C 3.46Å; W306-M313 HydrophobicContact CD2-CB 4.01Å; W306-M313 HydrophobicContact CD2-CG 4.46Å; W306-M313 HydrophobicContact CE3-CB 4.01Å; W306-M313 VanDerWaalsContact CE3-N 3.26Å; W306-M313 HydrophobicContact CH2-CB 4.19Å; W306-M313 HydrophobicContact CH2-CE 4.03Å; W306-M313 HydrophobicContact CZ2-CB 4.19Å; W306-M313 HydrophobicContact CZ2-CE 3.55Å; W306-M313 HydrophobicContact CZ3-CB 4.1Å |
| 307 | S | 91.8 | Very high | 92.3 | Very high | 7 Ų | 7 | 20.6 Ų | 20.6 | 5% | 0.049 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 129.7 | 167.8 | 175.9 | 0 | 0 | 0 | 0 | 109.3 | L311 N312 | S307-L311 CarbonylContact O-C 3.57Å; S307-L311 WeakPolarHBondContact O-CA 3.33Å; S307-L311 PolarHBondContact O-N 3.24Å; S307-N312 PolarHBondContact N-O 3.19Å; S307-N312 PolarHBondContact O-N 3.48Å |
| 308 | L | 90.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -88.3 | -20 | 177.6 | -56.3 | -176.7 | 0 | 0 | 0 | 113 | L143 V180 L181 L199 Y287 Q292 L294 R310 L311 | L143-L308 HydrophobicContact CD2-CD1 3.37Å; V180-L308 WeakPolarHBondContact CB-O 3.09Å; V180-L308 VanDerWaalsContact CG2-O 3.24Å; V180-L308 WeakPolarHBondContact CG2-O 3.48Å; L181-L308 HydrophobicContact CD1-CD1 4.36Å; L181-L308 HydrophobicContact CD2-CD1 4.27Å; L199-L308 HydrophobicContact CD1-CD2 4.48Å; Y287-L308 HydrophobicContact CD2-CD1 3.84Å; Y287-L308 HydrophobicContact CE2-CD1 3.77Å; Q292-L308 VanDerWaalsContact O-CB 3.31Å; Q292-L308 WeakPolarHBondContact O-CB 3.46Å; Q292-L308 PolarHBondContact O-N 2.92Å; L294-L308 HydrophobicContact CB-CD1 4.31Å; L294-L308 HydrophobicContact CB-CD2 4.01Å; L294-L308 HydrophobicContact CB-CG 4.31Å; L308-R310 PolarHBondContact O-N 3.37Å; L308-L311 HydrophobicContact CD2-CD2 4.32Å; L308-L311 PolarHBondContact O-N 3.33Å |
| 309 | D | 83 | Confident | 90.6 | Very high | 34 Ų | 34 | 27.8 Ų | 27.8 | 18% | 0.182 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -52.8 | -42.1 | 168.2 | 168.3 | 51.8 | 0 | 0 | 0 | 111.6 | V180 | V180-D309 WeakPolarHBondContact CG2-O 3.49Š|
| 310 | R | 84.4 | Confident | 89 | Confident | 102 Ų | 102 | 31.1 Ų | 31.1 | 39% | 0.385 | 16% | 0.158 | S | C | . | . | S | Bend | trans | -118.1 | 7.1 | -176.4 | -43.1 | 179.7 | -165.8 | 166.3 | 7 | 112.4 | R224 L308 N312 D404 | R224-R310 PolarHBondContact NH2-O 2.81Å; L308-R310 PolarHBondContact O-N 3.37Å; R310-N312 WeakPolarHBondContact CB-OD1 3.16Å; R310-N312 PolarHBondContact O-N 2.87Å; R310-D404 IonicContact CZ-OD1 2.87Å; R310-D404 IonicContact NH1-OD1 2.88Å; R310-D404 IonicContact NH2-OD1 3.01Å; R310-D404 PolarHBondContact NH2-OD1 2.87Å |
| 311 | L | 90.5 | Very high | 87.6 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | trans | 48.4 | 11.1 | -167.5 | -64.1 | 179.4 | 0 | 0 | 0 | 115.3 | V180 L199 R224 C227 L228 L252 W306 S307 L308 | V180-L311 HydrophobicContact CB-CD2 4.33Å; V180-L311 HydrophobicContact CG1-CD1 4.27Å; V180-L311 HydrophobicContact CG1-CD2 4.03Å; V180-L311 HydrophobicContact CG1-CG 4.22Å; V180-L311 HydrophobicContact CG2-CG 4.3Å; L199-L311 HydrophobicContact CD1-CD2 3.83Å; R224-L311 HydrophobicContact CG-CD1 4.19Å; R224-L311 PolarHBondContact NH1-O 3.02Å; R224-L311 PolarHBondContact NH2-O 3.2Å; C227-L311 HydrophobicContact CB-CD1 4.39Å; L228-L311 HydrophobicContact CD2-CB 4.47Å; L228-L311 HydrophobicContact CD2-CD1 3.93Å; L228-L311 HydrophobicContact CD2-CG 4.04Å; L228-L311 HydrophobicContact CG-CD1 4.06Å; L252-L311 HydrophobicContact CD2-CD2 4.28Å; W306-L311 VanDerWaalsContact CE3-O 3.22Å; S307-L311 CarbonylContact O-C 3.57Å; S307-L311 WeakPolarHBondContact O-CA 3.33Å; S307-L311 PolarHBondContact O-N 3.24Å; L308-L311 HydrophobicContact CD2-CD2 4.32Å; L308-L311 PolarHBondContact O-N 3.33Å | ||
| 312 | N | 91.4 | Very high | 86.1 | Confident | 60 Ų | 60 | 39.3 Ų | 39.3 | 32% | 0.321 | 21% | 0.21 | S | C | . | . | trans | -99.8 | 154.7 | -164.7 | 75.3 | -37.9 | 0 | 0 | 0 | 113.5 | W306 S307 R310 E314 | W306-N312 CarbonylContact C-O 3.53Å; W306-N312 VanDerWaalsContact CA-O 3.31Å; W306-N312 WeakPolarHBondContact CA-O 3.43Å; W306-N312 VanDerWaalsContact CE3-C 3.46Å; S307-N312 PolarHBondContact N-O 3.19Å; S307-N312 PolarHBondContact O-N 3.48Å; R310-N312 WeakPolarHBondContact CB-OD1 3.16Å; R310-N312 PolarHBondContact O-N 2.87Å; N312-E314 PolarHBondContact O-N 2.81Å | ||
| 313 | M | 94.4 | Very high | 85.1 | Confident | 17 Ų | 17 | 41.6 Ų | 41.6 | 8% | 0.084 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 123.2 | 174.1 | -167 | -168.9 | -54.8 | 0 | 0 | 109.6 | V267 Q304 L305 W306 F315 C316 | V267-M313 HydrophobicContact CG2-CG 4.3Å; V267-M313 HydrophobicContact CG2-SD 4.26Å; Q304-M313 HydrophobicContact CB-CG 4.49Å; Q304-M313 HydrophobicContact CG-CE 4.24Å; Q304-M313 HydrophobicContact CG-SD 4.02Å; Q304-M313 VanDerWaalsContact NE2-CE 3.3Å; L305-M313 CarbonylContact O-C 3.56Å; W306-M313 HydrophobicContact CD2-CB 4.01Å; W306-M313 HydrophobicContact CD2-CG 4.46Å; W306-M313 HydrophobicContact CE3-CB 4.01Å; W306-M313 VanDerWaalsContact CE3-N 3.26Å; W306-M313 HydrophobicContact CH2-CB 4.19Å; W306-M313 HydrophobicContact CH2-CE 4.03Å; W306-M313 HydrophobicContact CZ2-CB 4.19Å; W306-M313 HydrophobicContact CZ2-CE 3.55Å; W306-M313 HydrophobicContact CZ3-CB 4.1Å; M313-F315 WeakPolarHBondContact CG-O 3.43Å; M313-C316 HydrophobicContact SD-CB 3.86Å |
| 314 | E | 92.6 | Very high | 84.7 | Confident | 40 Ų | 40 | 41.7 Ų | 41.7 | 19% | 0.187 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | -29.5 | 173 | -64.5 | -158.5 | 134.1 | 0 | 0 | 112.2 | V267 L305 N312 L405 | V267-E314 WeakPolarHBondContact CG2-O 3.26Å; L305-E314 PolarHBondContact O-N 3.2Å; N312-E314 PolarHBondContact O-N 2.81Å; E314-L405 HydrophobicContact CB-CD2 3.78Å |
| 315 | F | 93.9 | Very high | 84.5 | Confident | 38 Ų | 38 | 42.7 Ų | 42.7 | 17% | 0.167 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 153.7 | -177.9 | -175.7 | -104.1 | 0 | 0 | 0 | 113.4 | W303 Q304 L305 M313 L317 L405 I408 | W303-F315 AromaticContact CE2-CE1 3.88Å; W303-F315 HydrophobicContact CE3-CD1 4.43Å; W303-F315 AromaticContact CH2-CD1 3.68Å; W303-F315 HydrophobicContact CH2-CD1 3.68Å; W303-F315 AromaticContact CH2-CE1 3.8Å; W303-F315 HydrophobicContact CH2-CE1 3.8Å; W303-F315 AromaticContact CZ2-CD1 3.87Å; W303-F315 HydrophobicContact CZ2-CD1 3.87Å; W303-F315 AromaticContact CZ2-CE1 3.48Å; W303-F315 HydrophobicContact CZ2-CE1 3.48Å; W303-F315 VanDerWaalsContact CZ2-CE1 3.48Å; W303-F315 AromaticContact CZ3-CD1 3.99Å; W303-F315 HydrophobicContact CZ3-CD1 3.99Å; W303-F315 HydrophobicContact CZ3-CE1 4.44Å; Q304-F315 CarbonylContact C-O 3.45Å; Q304-F315 VanDerWaalsContact CA-O 3.27Å; Q304-F315 WeakPolarHBondContact CA-O 3.12Å; L305-F315 HydrophobicContact CB-CB 4.06Å; L305-F315 PolarHBondContact N-O 2.77Å; L305-F315 PolarHBondContact O-N 3.23Å; M313-F315 WeakPolarHBondContact CG-O 3.43Å; F315-L317 HydrophobicContact CE1-CB 3.64Å; F315-L317 HydrophobicContact CZ-CB 3.89Å; F315-L405 HydrophobicContact CB-CD2 4.24Å; F315-I408 HydrophobicContact CB-CD1 3.8Å; F315-I408 HydrophobicContact CD1-CD1 3.83Å; F315-I408 HydrophobicContact CD2-CB 3.99Å; F315-I408 HydrophobicContact CD2-CD1 4.09Å; F315-I408 HydrophobicContact CD2-CG1 4.15Å; F315-I408 HydrophobicContact CE1-CB 4.43Å; F315-I408 HydrophobicContact CE1-CD1 4.41Å; F315-I408 HydrophobicContact CE1-CG2 4.3Å; F315-I408 HydrophobicContact CE2-CB 3.84Å; F315-I408 HydrophobicContact CE2-CG1 4.5Å; F315-I408 HydrophobicContact CE2-CG2 4.46Å; F315-I408 HydrophobicContact CG-CB 4.36Å; F315-I408 HydrophobicContact CG-CD1 3.64Å; F315-I408 HydrophobicContact CG-CG1 4.21Å; F315-I408 HydrophobicContact CZ-CB 4.06Å; F315-I408 HydrophobicContact CZ-CG2 4.17Å |
| 316 | C | 93.9 | Very high | 84.4 | Confident | 23 Ų | 23 | 42.6 Ų | 42.6 | 16% | 0.155 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 138.8 | 172.9 | 59.6 | 0 | 0 | 0 | 0 | 110.6 | W303 Q304 M313 | W303-C316 WeakPolarHBondContact O-CA 3.28Å; Q304-C316 HydrophobicContact CG-CB 4.11Å; M313-C316 HydrophobicContact SD-CB 3.86Å |
| 317 | L | 91.4 | Very high | 84.2 | Confident | 53 Ų | 53 | 44.4 Ų | 44.4 | 28% | 0.277 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 124.2 | 169 | -177.9 | 70 | 0 | 0 | 0 | 110.4 | Y264 G302 W303 F315 F380 | Y264-L317 PolarHBondContact OH-N 2.96Å; Y264-L317 VanDerWaalsContact OH-N 3.08Å; Y264-L317 PolarHBondContact OH-O 3.35Å; G302-L317 CarbonylContact C-O 3.45Å; G302-L317 WeakPolarHBondContact CA-O 3.47Å; W303-L317 PolarHBondContact N-O 2.63Å; W303-L317 PolarHBondContact O-N 2.82Å; F315-L317 HydrophobicContact CE1-CB 3.64Å; F315-L317 HydrophobicContact CZ-CB 3.89Å; L317-F380 HydrophobicContact CD2-CE1 3.66Å; L317-F380 HydrophobicContact CD2-CZ 3.67Å |
| 318 | R | 82.2 | Confident | 84.3 | Confident | 113 Ų | 113 | 44.9 Ų | 44.9 | 43% | 0.426 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 114.5 | 164.3 | -170.4 | 173.2 | -171.1 | -141.5 | 3.8 | 108.5 | Y264 S273 F300 | Y264-R318 HydrophobicContact CD1-CB 4.29Å; Y264-R318 HydrophobicContact CE1-CB 3.8Å; S273-R318 PolarHBondContact OG-NH1 3.06Å; F300-R318 HydrophobicContact CD2-CG 4.22Å; F300-R318 HydrophobicContact CE2-CG 4.02Å |
| 319 | Q | 71.9 | Confident | 84.4 | Confident | 42 Ų | 42 | 45.3 Ų | 45.3 | 20% | 0.196 | 25% | 0.254 | C | S | . | . | P | Polyproline II helix | trans | -65.4 | 141.7 | 173.5 | -173.2 | 149.5 | -80.7 | 0 | 0 | 109.8 | G301 W348 | G301-Q319 PolarHBondContact O-N 3.35Å; Q319-W348 HydrophobicContact CB-CZ2 4.48Å |
| 320 | A | 59 | Low | 84.9 | Confident | 85 Ų | 85 | 44.6 Ų | 44.6 | 70% | 0.702 | 25% | 0.25 | S | C | * | . | P | Polyproline II helix | trans | -63.6 | 150.2 | 173 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 321 | T | 62 | Low | 85.3 | Confident | 127 Ų | 127 | 40.3 Ų | 40.3 | 78% | 0.779 | 23% | 0.234 | S | C | * | . | S | Bend | trans | -51.4 | 146.8 | -175.2 | 44.1 | 0 | 0 | 0 | 0 | 113.8 | ||
| 322 | P | 59.8 | Low | 85.3 | Confident | 63 Ų | 63 | 40.3 Ų | 40.3 | 41% | 0.409 | 23% | 0.234 | S | C | . | . | S | Bend | cis | -81.7 | 151.8 | 14.8 | -15.6 | 31.7 | 0 | 0 | 0 | 115.9 | T324 Q373 | P322-T324 PolarHBondContact O-N 3.42Å; P322-Q373 VanDerWaalsContact CG-OE1 3.24Å |
| 323 | A | 72.7 | Confident | 85.1 | Confident | 47 Ų | 47 | 37.6 Ų | 37.6 | 39% | 0.388 | 22% | 0.219 | S | C | . | . | P | Polyproline II helix | trans | -67.3 | 118.6 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | F300 K351 | F300-A323 HydrophobicContact CB-CB 4.4Å; A323-K351 WeakPolarHBondContact O-CE 3.49Å |
| 324 | T | 86.9 | Confident | 84.8 | Confident | 3 Ų | 3 | 37 Ų | 37 | 2% | 0.018 | 22% | 0.216 | C | C | . | . | trans | -136.1 | 139.2 | 175.1 | 38.5 | 0 | 0 | 0 | 0 | 107.6 | S299 G301 P322 Q349 K351 | S299-T324 CarbonylContact O-C 3.51Å; G301-T324 WeakPolarHBondContact CA-O 3.41Å; G301-T324 PolarHBondContact N-O 3.33Å; P322-T324 PolarHBondContact O-N 3.42Å; T324-Q349 WeakPolarHBondContact CB-O 3.49Å; T324-Q349 WeakPolarHBondContact CG2-O 3.26Å; T324-K351 HydrophobicContact CG2-CB 4.39Å; T324-K351 HydrophobicContact CG2-CG 4.13Å | ||
| 325 | P | 91.7 | Very high | 84.2 | Confident | 25 Ų | 25 | 37.8 Ų | 37.8 | 16% | 0.162 | 23% | 0.226 | C | C | . | . | trans | -71.7 | 139.7 | -174 | 28.7 | -34.4 | 0 | 0 | 0 | 111.4 | S299 V327 W348 Q349 | S299-P325 WeakPolarHBondContact O-CA 3.42Å; P325-V327 HydrophobicContact CB-CG1 4.32Å; P325-V327 HydrophobicContact CG-CG1 4.24Å; P325-V327 PolarHBondContact O-N 2.8Å; P325-W348 WeakPolarHBondContact O-CA 3.36Å; P325-Q349 HydrophobicContact CG-CB 3.87Å; P325-Q349 PolarHBondContact O-N 2.84Å | ||
| 326 | V | 93.1 | Very high | 83.6 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 122.6 | 166.2 | -179 | 0 | 0 | 0 | 0 | 107.9 | S283 A284 F298 G302 W303 F329 V346 G347 W348 | S283-V326 CarbonylContact C-O 3.46Å; S283-V326 VanDerWaalsContact C-O 3.22Å; S283-V326 VanDerWaalsContact CB-O 3.25Å; S283-V326 WeakPolarHBondContact CB-O 3.31Å; S283-V326 PolarHBondContact OG-N 3.13Å; S283-V326 PolarHBondContact OG-O 2.89Å; A284-V326 HydrophobicContact CB-CG1 4.21Å; A284-V326 VanDerWaalsContact CB-O 3.27Å; A284-V326 WeakPolarHBondContact CB-O 3.34Å; A284-V326 PolarHBondContact N-O 2.89Å; F298-V326 PolarHBondContact O-N 2.84Å; G302-V326 WeakPolarHBondContact O-CG2 3.27Å; W303-V326 HydrophobicContact CB-CG2 4.48Å; V326-F329 HydrophobicContact CG1-CE1 4.06Å; V326-F329 HydrophobicContact CG1-CE2 4.08Å; V326-F329 HydrophobicContact CG1-CZ 3.65Å; V326-V346 HydrophobicContact CG1-CG1 3.67Å; V326-G347 CarbonylContact C-O 3.6Å; V326-G347 WeakPolarHBondContact CA-O 3.39Å; V326-W348 HydrophobicContact CG2-CG 4.46Å |
| 327 | V | 92 | Very high | 83.4 | Confident | 53 Ų | 53 | 41.8 Ų | 41.8 | 32% | 0.321 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | -8.3 | -172.7 | -66.9 | 0 | 0 | 0 | 0 | 114.2 | P325 G347 Q349 L432 | P325-V327 HydrophobicContact CB-CG1 4.32Å; P325-V327 HydrophobicContact CG-CG1 4.24Å; P325-V327 PolarHBondContact O-N 2.8Å; V327-G347 PolarHBondContact N-O 3.09Å; V327-Q349 HydrophobicContact CG1-CB 3.89Å; V327-Q349 HydrophobicContact CG2-CB 4.15Å; V327-L432 HydrophobicContact CG2-CD2 4.01Å |
| 328 | S | 92.3 | Very high | 83.2 | Confident | 17 Ų | 17 | 44.7 Ų | 44.7 | 12% | 0.119 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 147.7 | 174.3 | 53.3 | 0 | 0 | 0 | 0 | 113.1 | V346 G347 V435 | S328-V346 WeakPolarHBondContact O-CA 3.47Å; S328-G347 PolarHBondContact N-O 3.41Å; S328-G347 PolarHBondContact O-N 3.37Å; S328-G347 WeakPolarHBondContact OG-CA 3.15Å; S328-V435 WeakPolarHBondContact OG-CG2 3.35Å |
| 329 | F | 94.2 | Very high | 83.4 | Confident | 10 Ų | 10 | 45.4 Ų | 45.4 | 4% | 0.044 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 140.1 | 164.1 | -64.2 | -73.6 | 0 | 0 | 0 | 107.7 | A284 A295 W303 V326 I344 W345 V346 | A284-F329 HydrophobicContact CB-CD2 3.98Å; A284-F329 HydrophobicContact CB-CE2 3.7Å; A295-F329 HydrophobicContact CB-CB 4.14Å; A295-F329 HydrophobicContact CB-CD1 3.79Å; A295-F329 HydrophobicContact CB-CD2 3.74Å; A295-F329 HydrophobicContact CB-CE1 4.08Å; A295-F329 HydrophobicContact CB-CE2 4.03Å; A295-F329 HydrophobicContact CB-CG 3.61Å; A295-F329 HydrophobicContact CB-CZ 4.2Å; W303-F329 HydrophobicContact CB-CE1 3.88Å; W303-F329 HydrophobicContact CB-CZ 3.75Å; W303-F329 HydrophobicContact CD2-CE1 4.05Å; W303-F329 AromaticContact CE3-CE1 3.88Å; W303-F329 HydrophobicContact CE3-CE1 3.88Å; W303-F329 HydrophobicContact CG-CE1 4.1Å; W303-F329 HydrophobicContact CG-CZ 4.46Å; V326-F329 HydrophobicContact CG1-CE1 4.06Å; V326-F329 HydrophobicContact CG1-CE2 4.08Å; V326-F329 HydrophobicContact CG1-CZ 3.65Å; F329-I344 HydrophobicContact CB-CD1 4.19Å; F329-I344 HydrophobicContact CD1-CD1 3.84Å; F329-I344 HydrophobicContact CG-CD1 4.39Å; F329-W345 CarbonylContact C-O 3.42Å; F329-W345 VanDerWaalsContact CA-O 3.32Å; F329-W345 WeakPolarHBondContact CA-O 3.31Å; F329-V346 HydrophobicContact CD1-CB 4.48Å; F329-V346 HydrophobicContact CD1-CG1 4.2Å; F329-V346 HydrophobicContact CD1-CG2 3.96Å; F329-V346 HydrophobicContact CE1-CB 4.49Å; F329-V346 HydrophobicContact CE1-CG1 3.83Å; F329-V346 HydrophobicContact CE1-CG2 4.01Å |
| 330 | N | 92.7 | Very high | 84.3 | Confident | 19 Ų | 19 | 47.4 Ų | 47.4 | 10% | 0.102 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 127.7 | 175.4 | -90.1 | -125.4 | 0 | 0 | 0 | 108.9 | I344 W345 V435 Q436 S437 I474 | N330-I344 CarbonylContact O-C 3.56Å; N330-I344 WeakPolarHBondContact O-CA 3.47Å; N330-W345 HydrophobicContact CB-CB 4.42Å; N330-W345 PolarHBondContact N-O 3Å; N330-W345 PolarHBondContact O-N 3.04Å; N330-V435 HydrophobicContact CB-CG1 4.2Å; N330-V435 PolarHBondContact ND2-O 3.24Å; N330-V435 PolarHBondContact OD1-O 2.72Å; N330-Q436 WeakPolarHBondContact OD1-CA 3.3Å; N330-Q436 PolarHBondContact OD1-N 2.72Å; N330-S437 PolarHBondContact OD1-N 3.33Å; N330-S437 PolarHBondContact OD1-OG 2.83Å; N330-I474 HydrophobicContact CB-CD1 3.48Å; N330-I474 VanDerWaalsContact CB-CD1 3.48Å; N330-I474 HydrophobicContact CB-CG1 4.38Å |
| 331 | F | 92.1 | Very high | 85.9 | Confident | 11 Ų | 11 | 43.4 Ų | 43.4 | 5% | 0.048 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 148.2 | 179.9 | -179.9 | -101.8 | 0 | 0 | 0 | 111.8 | I288 Q290 L291 E333 C342 F343 S437 | I288-F331 HydrophobicContact CD1-CB 4.43Å; I288-F331 HydrophobicContact CG1-CB 4.49Å; I288-F331 HydrophobicContact CG2-CB 3.78Å; I288-F331 HydrophobicContact CG2-CD1 4.17Å; I288-F331 HydrophobicContact CG2-CD2 3.52Å; I288-F331 HydrophobicContact CG2-CE2 4.08Å; I288-F331 HydrophobicContact CG2-CG 3.56Å; Q290-F331 HydrophobicContact CB-CE1 3.85Å; Q290-F331 HydrophobicContact CB-CZ 3.85Å; Q290-F331 HydrophobicContact CG-CD1 4.41Å; Q290-F331 HydrophobicContact CG-CE1 3.71Å; Q290-F331 HydrophobicContact CG-CZ 4.22Å; L291-F331 HydrophobicContact CD1-CD2 4.25Å; L291-F331 HydrophobicContact CD1-CE2 4.09Å; L291-F331 HydrophobicContact CD2-CE2 3.9Å; L291-F331 HydrophobicContact CD2-CZ 4.4Å; L291-F331 HydrophobicContact CG-CD2 4.43Å; L291-F331 HydrophobicContact CG-CE2 3.95Å; F331-E333 HydrophobicContact CE1-CB 4.08Å; F331-E333 HydrophobicContact CZ-CB 4.46Å; F331-C342 HydrophobicContact CE2-CB 3.68Å; F331-C342 HydrophobicContact CZ-CB 3.7Å; F331-F343 WeakPolarHBondContact CD2-O 3.2Å; F331-S437 PolarHBondContact O-OG 3.49Å |
| 332 | L | 91 | Very high | 87.4 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 141.3 | 173.9 | -68.6 | 173.4 | 0 | 0 | 0 | 111.6 | F343 W345 I471 I474 F490 L492 | L332-F343 HydrophobicContact CB-CB 4.27Å; L332-F343 PolarHBondContact N-O 3.49Å; L332-F343 PolarHBondContact O-N 3.42Å; L332-W345 VanDerWaalsContact CD1-CD1 3.45Å; L332-I471 CarbonylContact C-O 3.56Å; L332-I471 VanDerWaalsContact CA-O 3.27Å; L332-I471 WeakPolarHBondContact CA-O 3.44Å; L332-I471 HydrophobicContact CD2-CG2 3.86Å; L332-I471 VanDerWaalsContact CD2-O 3.26Å; L332-I471 WeakPolarHBondContact CD2-O 3.16Å; L332-I474 HydrophobicContact CD1-CG2 4.26Å; L332-I474 HydrophobicContact CD2-CB 4.28Å; L332-F490 HydrophobicContact CD1-CD1 4.13Å; L332-F490 HydrophobicContact CD1-CE1 3.86Å; L332-L492 HydrophobicContact CB-CD2 3.89Å; L332-L492 HydrophobicContact CD1-CB 4.46Å |
| 333 | E | 87.9 | Confident | 89.1 | Confident | 3 Ų | 3 | 34.3 Ų | 34.3 | 1% | 0.014 | 19% | 0.191 | C | C | . | . | trans | -123.2 | 124.2 | 175 | -162 | -178.6 | 164.2 | 0 | 0 | 110.5 | F331 R387 F400 Y402 M470 I471 R472 | F331-E333 HydrophobicContact CE1-CB 4.08Å; F331-E333 HydrophobicContact CZ-CB 4.46Å; E333-R387 IonicContact OE1-NH1 3.71Å; E333-F400 WeakPolarHBondContact OE1-CB 3.32Å; E333-F400 WeakPolarHBondContact OE1-CD2 3.4Å; E333-F400 VanDerWaalsContact OE1-CG 3.3Å; E333-F400 WeakPolarHBondContact OE1-CG 3.4Å; E333-Y402 HydrophobicContact CG-CE2 4.37Å; E333-Y402 WeakPolarHBondContact CG-OH 3.34Å; E333-Y402 PolarHBondContact OE1-OH 2.82Å; E333-M470 HydrophobicContact CB-CE 4.37Å; E333-M470 VanDerWaalsContact CD-CE 3.49Å; E333-M470 HydrophobicContact CG-CE 3.72Å; E333-M470 VanDerWaalsContact OE1-CE 3.31Å; E333-M470 WeakPolarHBondContact OE1-CE 3.42Å; E333-I471 PolarHBondContact N-O 2.92Å; E333-R472 VanDerWaalsContact O-CG 3.24Å; E333-R472 WeakPolarHBondContact O-CG 3.35Å | ||
| 334 | P | 87.1 | Confident | 90.1 | Very high | 4 Ų | 4 | 32.1 Ų | 32.1 | 3% | 0.026 | 17% | 0.173 | C | C | . | . | trans | -72.3 | 153.5 | 179.6 | 31.4 | -35.3 | 0 | 0 | 0 | 111.3 | D336 D337 C341 F343 M470 L492 Y496 | P334-D336 PolarHBondContact O-N 3.4Å; P334-D337 HydrophobicContact CG-CB 3.83Å; P334-C341 WeakPolarHBondContact CD-O 3.41Å; P334-C341 WeakPolarHBondContact CG-O 3.38Å; P334-F343 HydrophobicContact CG-CE2 4.22Å; P334-M470 WeakPolarHBondContact O-CE 3.3Å; P334-L492 HydrophobicContact CB-CD2 3.85Å; P334-L492 HydrophobicContact CB-CG 4.37Å; P334-L492 HydrophobicContact CG-CD2 4.42Å; P334-Y496 HydrophobicContact CB-CD2 4.46Å; P334-Y496 HydrophobicContact CB-CE1 4.21Å; P334-Y496 HydrophobicContact CB-CE2 3.88Å; P334-Y496 HydrophobicContact CG-CE2 4.45Å | ||
| 335 | S | 80.5 | Confident | 90.5 | Very high | 57 Ų | 57 | 32.2 Ų | 32.2 | 40% | 0.399 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -55.4 | -35.5 | 171.9 | -80.7 | 0 | 0 | 0 | 0 | 113.5 | R472 D493 | S335-R472 PolarHBondContact OG-NE 3.5Å; S335-R472 PolarHBondContact OG-NH1 2.89Å; S335-R472 PolarHBondContact OG-NH2 3.43Å; S335-D493 WeakPolarHBondContact CB-OD1 3.48Å; S335-D493 VanDerWaalsContact CB-OD2 3.29Å; S335-D493 WeakPolarHBondContact CB-OD2 3.42Å; S335-D493 PolarHBondContact N-OD1 3.27Å; S335-D493 PolarHBondContact OG-OD2 2.84Å |
| 336 | D | 81.8 | Confident | 90.6 | Very high | 125 Ų | 125 | 31 Ų | 31 | 67% | 0.668 | 17% | 0.165 | S | C | * | . | trans | -155.3 | 113.5 | -174.8 | -167.1 | -5.2 | 0 | 0 | 0 | 109.8 | P334 Y496 | P334-D336 PolarHBondContact O-N 3.4Å; D336-Y496 WeakPolarHBondContact O-CE1 3.46Å | ||
| 337 | D | 88.9 | Confident | 90.6 | Very high | 21 Ų | 21 | 31 Ų | 31 | 11% | 0.112 | 17% | 0.165 | C | C | . | . | trans | -129.8 | 128.2 | 164.3 | 174.4 | -90.5 | 0 | 0 | 0 | 110.6 | P334 R339 F340 C341 Y496 | P334-D337 HydrophobicContact CG-CB 3.83Å; D337-R339 PolarHBondContact O-N 3.34Å; D337-R339 VanDerWaalsContact OD1-C 3.23Å; D337-R339 VanDerWaalsContact OD1-CA 3.3Å; D337-R339 WeakPolarHBondContact OD1-CA 3.4Å; D337-R339 PolarHBondContact OD1-N 3.48Å; D337-F340 PolarHBondContact OD1-N 3.42Å; D337-F340 VanDerWaalsContact OD1-N 3.08Å; D337-C341 HydrophobicContact CB-CB 4.32Å; D337-C341 VanDerWaalsContact CG-CB 3.49Å; D337-C341 WeakPolarHBondContact OD1-CB 3.24Å; D337-C341 PolarHBondContact OD1-N 3.29Å; D337-C341 PolarHBondContact OD1-SG 3.42Å; D337-Y496 HydrophobicContact CB-CE1 4.17Å; D337-Y496 PolarHBondContact OD2-OH 2.84Å | ||
| 338 | P | 87 | Confident | 90.6 | Very high | 113 Ų | 113 | 28.5 Ų | 28.5 | 73% | 0.734 | 15% | 0.15 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | 7 | -173.4 | 30.9 | -37.8 | 0 | 0 | 0 | 114.9 | ||
| 339 | R | 87.8 | Confident | 90.4 | Very high | 128 Ų | 128 | 28.6 Ų | 28.6 | 48% | 0.483 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -140.1 | 19 | -174.4 | -59.7 | 173.3 | -61.8 | 168 | 5.7 | 113.1 | D337 C341 | D337-R339 PolarHBondContact O-N 3.34Å; D337-R339 VanDerWaalsContact OD1-C 3.23Å; D337-R339 VanDerWaalsContact OD1-CA 3.3Å; D337-R339 WeakPolarHBondContact OD1-CA 3.4Å; D337-R339 PolarHBondContact OD1-N 3.48Å; R339-C341 VanDerWaalsContact C-N 3.28Å; R339-C341 PolarHBondContact O-N 2.85Å |
| 340 | F | 90.2 | Very high | 89.7 | Confident | 84 Ų | 84 | 28.6 Ų | 28.6 | 37% | 0.368 | 15% | 0.149 | S | C | . | . | trans | 54.4 | 43 | -176.9 | -43.6 | -52 | 0 | 0 | 0 | 112.9 | D337 Y384 R387 Y402 | D337-F340 PolarHBondContact OD1-N 3.42Å; D337-F340 VanDerWaalsContact OD1-N 3.08Å; F340-Y384 PolarHBondContact O-N 3.43Å; F340-R387 HydrophobicContact CB-CB 4.28Å; F340-R387 HydrophobicContact CD1-CB 3.68Å; F340-R387 HydrophobicContact CD2-CB 4.47Å; F340-R387 HydrophobicContact CE1-CB 4.11Å; F340-R387 HydrophobicContact CG-CB 3.89Å; F340-Y402 HydrophobicContact CB-CD1 4.27Å; F340-Y402 HydrophobicContact CB-CE1 3.92Å; F340-Y402 WeakPolarHBondContact O-CE1 3.48Å | ||
| 341 | C | 92.8 | Very high | 88.6 | Confident | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.007 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 132.5 | 171.5 | -49.9 | 0 | 0 | 0 | 0 | 110.9 | P334 D337 R339 F343 Q381 L382 | P334-C341 WeakPolarHBondContact CD-O 3.41Å; P334-C341 WeakPolarHBondContact CG-O 3.38Å; D337-C341 HydrophobicContact CB-CB 4.32Å; D337-C341 VanDerWaalsContact CG-CB 3.49Å; D337-C341 WeakPolarHBondContact OD1-CB 3.24Å; D337-C341 PolarHBondContact OD1-N 3.29Å; D337-C341 PolarHBondContact OD1-SG 3.42Å; R339-C341 VanDerWaalsContact C-N 3.28Å; R339-C341 PolarHBondContact O-N 2.85Å; C341-F343 HydrophobicContact CB-CE2 4.47Å; C341-Q381 HydrophobicContact CB-CG 3.96Å; C341-Q381 PolarHBondContact SG-NE2 2.94Å; C341-L382 VanDerWaalsContact CA-O 3.23Å; C341-L382 WeakPolarHBondContact CA-O 3.41Å |
| 342 | C | 93.7 | Very high | 86.8 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 175.3 | 167.2 | 58.5 | 0 | 0 | 0 | 0 | 108.7 | F331 L382 Y402 | F331-C342 HydrophobicContact CE2-CB 3.68Å; F331-C342 HydrophobicContact CZ-CB 3.7Å; C342-L382 PolarHBondContact N-O 2.88Å; C342-L382 VanDerWaalsContact N-O 3.09Å; C342-L382 PolarHBondContact O-N 2.99Å; C342-L382 VanDerWaalsContact O-O 3.13Å; C342-Y402 HydrophobicContact CB-CE1 4.32Å |
| 343 | F | 94.7 | Very high | 84.6 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 155.7 | -170.6 | -59.1 | -101.4 | 0 | 0 | 0 | 112.8 | F331 L332 P334 C341 L379 F380 Q381 R411 L492 W495 Y496 | F331-F343 WeakPolarHBondContact CD2-O 3.2Å; L332-F343 HydrophobicContact CB-CB 4.27Å; L332-F343 PolarHBondContact N-O 3.49Å; L332-F343 PolarHBondContact O-N 3.42Å; P334-F343 HydrophobicContact CG-CE2 4.22Å; C341-F343 HydrophobicContact CB-CE2 4.47Å; F343-L379 HydrophobicContact CB-CD1 3.63Å; F343-L379 HydrophobicContact CD1-CD1 4.01Å; F343-L379 HydrophobicContact CD1-CD2 4.19Å; F343-L379 HydrophobicContact CD1-CG 3.98Å; F343-L379 HydrophobicContact CG-CD1 4.18Å; F343-F380 VanDerWaalsContact CA-O 3.26Å; F343-F380 WeakPolarHBondContact CA-O 3.42Å; F343-Q381 HydrophobicContact CD1-CB 3.89Å; F343-Q381 HydrophobicContact CD1-CG 4.38Å; F343-Q381 HydrophobicContact CE1-CB 3.58Å; F343-Q381 HydrophobicContact CE1-CG 3.78Å; F343-Q381 HydrophobicContact CZ-CB 4.33Å; F343-Q381 HydrophobicContact CZ-CG 4.02Å; F343-R411 HydrophobicContact CE1-CG 4.44Å; F343-L492 HydrophobicContact CD1-CD1 4.48Å; F343-L492 HydrophobicContact CD2-CD1 3.94Å; F343-L492 HydrophobicContact CD2-CD2 3.6Å; F343-L492 HydrophobicContact CD2-CG 4.4Å; F343-L492 HydrophobicContact CE2-CD1 4.19Å; F343-L492 HydrophobicContact CE2-CD2 4.09Å; F343-L492 HydrophobicContact CG-CD1 4.14Å; F343-L492 HydrophobicContact CG-CD2 4.35Å; F343-W495 HydrophobicContact CD1-CZ3 4.44Å; F343-W495 HydrophobicContact CE1-CH2 4.03Å; F343-W495 AromaticContact CE1-CZ3 3.65Å; F343-W495 HydrophobicContact CE1-CZ3 3.65Å; F343-W495 AromaticContact CZ-CZ3 3.94Å; F343-W495 HydrophobicContact CZ-CZ3 3.94Å; F343-Y496 AromaticContact CE2-CE2 3.66Å; F343-Y496 HydrophobicContact CE2-CE2 3.66Å; F343-Y496 AromaticContact CE2-CZ 3.88Å; F343-Y496 WeakPolarHBondContact CE2-OH 3.36Å; F343-Y496 AromaticContact CZ-CE2 3.65Å; F343-Y496 HydrophobicContact CZ-CE2 3.65Å; F343-Y496 AromaticContact CZ-CZ 3.9Å; F343-Y496 VanDerWaalsContact CZ-OH 3.26Å; F343-Y496 WeakPolarHBondContact CZ-OH 3.35Å |
| 344 | I | 94.7 | Very high | 82.2 | Confident | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 128.6 | 171 | -165.4 | 173.8 | 0 | 0 | 0 | 109.6 | I288 A295 W303 F329 N330 V346 F380 L382 | I288-I344 HydrophobicContact CD1-CD1 3.73Å; A295-I344 HydrophobicContact CB-CD1 4.18Å; W303-I344 HydrophobicContact CH2-CG2 4.04Å; F329-I344 HydrophobicContact CB-CD1 4.19Å; F329-I344 HydrophobicContact CD1-CD1 3.84Å; F329-I344 HydrophobicContact CG-CD1 4.39Å; N330-I344 CarbonylContact O-C 3.56Å; N330-I344 WeakPolarHBondContact O-CA 3.47Å; I344-V346 HydrophobicContact CG2-CG2 4.36Å; I344-F380 HydrophobicContact CG2-CB 3.95Å; I344-F380 PolarHBondContact N-O 3.21Å; I344-F380 PolarHBondContact O-N 2.85Å; I344-L382 HydrophobicContact CB-CD1 3.97Å; I344-L382 HydrophobicContact CG2-CD1 3.72Å |
| 345 | W | 94.6 | Very high | 79.4 | Confident | 4 Ų | 4 | 57.3 Ų | 57.3 | 2% | 0.015 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 131.2 | 162.5 | -80.5 | 101.3 | 0 | 0 | 0 | 109 | F329 N330 L332 V377 K378 L379 L412 I474 F476 F490 | F329-W345 CarbonylContact C-O 3.42Å; F329-W345 VanDerWaalsContact CA-O 3.32Å; F329-W345 WeakPolarHBondContact CA-O 3.31Å; N330-W345 HydrophobicContact CB-CB 4.42Å; N330-W345 PolarHBondContact N-O 3Å; N330-W345 PolarHBondContact O-N 3.04Å; L332-W345 VanDerWaalsContact CD1-CD1 3.45Å; W345-V377 HydrophobicContact CE3-CB 3.89Å; W345-V377 HydrophobicContact CE3-CG2 4.06Å; W345-V377 HydrophobicContact CZ3-CB 4.04Å; W345-V377 HydrophobicContact CZ3-CG2 3.78Å; W345-K378 CarbonylContact C-O 3.49Å; W345-K378 WeakPolarHBondContact CA-O 3.32Å; W345-L379 HydrophobicContact CD2-CB 4.01Å; W345-L379 HydrophobicContact CD2-CD1 4.07Å; W345-L379 HydrophobicContact CE3-CB 4.06Å; W345-L379 HydrophobicContact CG-CD1 4.08Å; W345-L379 HydrophobicContact CH2-CB 3.9Å; W345-L379 HydrophobicContact CZ2-CB 3.82Å; W345-L379 HydrophobicContact CZ2-CD1 4.4Å; W345-L379 HydrophobicContact CZ2-CD2 4.18Å; W345-L379 HydrophobicContact CZ2-CG 4.36Å; W345-L379 HydrophobicContact CZ3-CB 4Å; W345-L412 HydrophobicContact CH2-CD2 3.63Å; W345-L412 HydrophobicContact CH2-CG 3.85Å; W345-L412 HydrophobicContact CZ2-CD2 3.84Å; W345-L412 HydrophobicContact CZ2-CG 4.49Å; W345-I474 HydrophobicContact CB-CD1 3.91Å; W345-I474 HydrophobicContact CG-CD1 3.81Å; W345-F476 HydrophobicContact CB-CE1 4.49Å; W345-F476 AromaticContact CD2-CE1 3.71Å; W345-F476 HydrophobicContact CD2-CE1 3.71Å; W345-F476 AromaticContact CD2-CZ 3.67Å; W345-F476 HydrophobicContact CD2-CZ 3.67Å; W345-F476 AromaticContact CE2-CZ 3.48Å; W345-F476 VanDerWaalsContact CE2-CZ 3.48Å; W345-F476 AromaticContact CE3-CE1 3.94Å; W345-F476 HydrophobicContact CE3-CE1 3.94Å; W345-F476 AromaticContact CE3-CZ 3.99Å; W345-F476 HydrophobicContact CE3-CZ 3.99Å; W345-F476 AromaticContact CG-CE1 3.97Å; W345-F476 HydrophobicContact CG-CE1 3.97Å; W345-F476 HydrophobicContact CG-CZ 4.22Å; W345-F476 AromaticContact CH2-CZ 3.96Å; W345-F476 HydrophobicContact CH2-CZ 3.96Å; W345-F476 HydrophobicContact CZ2-CE1 4.49Å; W345-F476 HydrophobicContact CZ2-CE2 4.41Å; W345-F476 AromaticContact CZ2-CZ 3.64Å; W345-F476 HydrophobicContact CZ2-CZ 3.64Å; W345-F476 HydrophobicContact CZ3-CE1 4.42Å; W345-F476 HydrophobicContact CZ3-CZ 4.14Å; W345-F476 AromaticContact NE1-CZ 3.87Å; W345-F490 HydrophobicContact CZ2-CD1 4.29Å; W345-F490 AromaticContact CZ2-CD2 3.83Å; W345-F490 HydrophobicContact CZ2-CD2 3.83Å; W345-F490 HydrophobicContact CZ2-CE1 4.31Å; W345-F490 AromaticContact CZ2-CE2 3.87Å; W345-F490 HydrophobicContact CZ2-CE2 3.87Å; W345-F490 HydrophobicContact CZ2-CG 4.06Å; W345-F490 HydrophobicContact CZ2-CZ 4.12Å; W345-F490 AromaticContact NE1-CD1 3.69Å; W345-F490 AromaticContact NE1-CE1 3.74Å |
| 346 | V | 94.5 | Very high | 76.7 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 131.4 | 172.2 | -173 | 0 | 0 | 0 | 0 | 107.9 | W303 V326 S328 F329 I344 W348 V377 K378 F380 | W303-V346 HydrophobicContact CD2-CG2 4.33Å; W303-V346 HydrophobicContact CG-CG1 4.48Å; W303-V346 HydrophobicContact CZ2-CG2 4.07Å; V326-V346 HydrophobicContact CG1-CG1 3.67Å; S328-V346 WeakPolarHBondContact O-CA 3.47Å; F329-V346 HydrophobicContact CD1-CB 4.48Å; F329-V346 HydrophobicContact CD1-CG1 4.2Å; F329-V346 HydrophobicContact CD1-CG2 3.96Å; F329-V346 HydrophobicContact CE1-CB 4.49Å; F329-V346 HydrophobicContact CE1-CG1 3.83Å; F329-V346 HydrophobicContact CE1-CG2 4.01Å; I344-V346 HydrophobicContact CG2-CG2 4.36Å; V346-W348 HydrophobicContact CB-CE3 4.48Å; V346-W348 HydrophobicContact CB-CH2 3.7Å; V346-W348 HydrophobicContact CB-CZ3 3.65Å; V346-W348 HydrophobicContact CG1-CE3 4.16Å; V346-W348 HydrophobicContact CG1-CH2 3.48Å; V346-W348 VanDerWaalsContact CG1-CH2 3.48Å; V346-W348 HydrophobicContact CG1-CZ2 3.88Å; V346-W348 HydrophobicContact CG1-CZ3 3.64Å; V346-W348 VanDerWaalsContact O-CZ3 3.26Å; V346-W348 WeakPolarHBondContact O-CZ3 3.36Å; V346-V377 WeakPolarHBondContact O-CA 3.49Å; V346-K378 PolarHBondContact N-O 2.88Å; V346-K378 PolarHBondContact O-N 3.44Å; V346-F380 HydrophobicContact CB-CD2 4.39Å; V346-F380 HydrophobicContact CB-CE2 4.05Å; V346-F380 HydrophobicContact CG2-CD2 3.73Å; V346-F380 HydrophobicContact CG2-CE2 3.77Å |
| 347 | G | 92.5 | Very high | 74.1 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 130.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | V326 V327 S328 T376 | V326-G347 CarbonylContact C-O 3.6Å; V326-G347 WeakPolarHBondContact CA-O 3.39Å; V327-G347 PolarHBondContact N-O 3.09Å; S328-G347 PolarHBondContact N-O 3.41Å; S328-G347 PolarHBondContact O-N 3.37Å; S328-G347 WeakPolarHBondContact OG-CA 3.15Å; G347-T376 WeakPolarHBondContact CA-O 3.47Å |
| 348 | W | 91.6 | Very high | 71.1 | Confident | 1 Ų | 1 | 62 Ų | 62 | 0% | 0.004 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 137 | 171.9 | -66.2 | -106 | 0 | 0 | 0 | 109.9 | G301 Q319 P325 V326 V346 P375 T376 K378 F380 | G301-W348 PolarHBondContact O-NE1 3.09Å; Q319-W348 HydrophobicContact CB-CZ2 4.48Å; P325-W348 WeakPolarHBondContact O-CA 3.36Å; V326-W348 HydrophobicContact CG2-CG 4.46Å; V346-W348 HydrophobicContact CB-CE3 4.48Å; V346-W348 HydrophobicContact CB-CH2 3.7Å; V346-W348 HydrophobicContact CB-CZ3 3.65Å; V346-W348 HydrophobicContact CG1-CE3 4.16Å; V346-W348 HydrophobicContact CG1-CH2 3.48Å; V346-W348 VanDerWaalsContact CG1-CH2 3.48Å; V346-W348 HydrophobicContact CG1-CZ2 3.88Å; V346-W348 HydrophobicContact CG1-CZ3 3.64Å; V346-W348 VanDerWaalsContact O-CZ3 3.26Å; V346-W348 WeakPolarHBondContact O-CZ3 3.36Å; W348-P375 CarbonylContact O-C 3.55Å; W348-P375 VanDerWaalsContact O-CA 3.28Å; W348-P375 WeakPolarHBondContact O-CA 3.44Å; W348-P375 WeakPolarHBondContact O-CB 3.38Å; W348-T376 PolarHBondContact N-O 3.09Å; W348-T376 PolarHBondContact O-N 2.82Å; W348-K378 HydrophobicContact CE3-CG 4.5Å; W348-K378 HydrophobicContact CH2-CB 4.35Å; W348-K378 HydrophobicContact CH2-CD 3.89Å; W348-K378 HydrophobicContact CH2-CG 4.37Å; W348-K378 HydrophobicContact CZ3-CB 3.81Å; W348-K378 HydrophobicContact CZ3-CD 3.72Å; W348-K378 HydrophobicContact CZ3-CG 3.74Å; W348-F380 AromaticContact CH2-CE2 3.91Å; W348-F380 HydrophobicContact CH2-CE2 3.91Å; W348-F380 HydrophobicContact CH2-CZ 4.11Å; W348-F380 HydrophobicContact CZ3-CE2 4.46Å |
| 349 | Q | 89.2 | Confident | 68.2 | Low | 19 Ų | 19 | 62.3 Ų | 62.3 | 9% | 0.089 | 33% | 0.334 | C | S | . | . | trans | -72.9 | 161.2 | 176 | -163.3 | 56 | -88.7 | 0 | 0 | 111.7 | T324 P325 V327 L432 | T324-Q349 WeakPolarHBondContact CB-O 3.49Å; T324-Q349 WeakPolarHBondContact CG2-O 3.26Å; P325-Q349 HydrophobicContact CG-CB 3.87Å; P325-Q349 PolarHBondContact O-N 2.84Å; V327-Q349 HydrophobicContact CG1-CB 3.89Å; V327-Q349 HydrophobicContact CG2-CB 4.15Å; Q349-L432 PolarHBondContact NE2-O 3.33Å | ||
| 350 | S | 79.4 | Confident | 65.4 | Low | 9 Ų | 9 | 63 Ų | 63 | 6% | 0.063 | 34% | 0.341 | C | S | . | . | trans | -60.2 | 155.6 | 161.2 | 41.1 | 0 | 0 | 0 | 0 | 111.8 | Q352 Q373 S430 | S350-Q352 PolarHBondContact O-N 2.71Å; S350-Q352 VanDerWaalsContact O-N 3.1Å; S350-Q373 WeakPolarHBondContact CA-O 3.33Å; S350-Q373 WeakPolarHBondContact CB-O 3.33Å; S350-S430 WeakPolarHBondContact CB-O 3.46Å; S350-S430 PolarHBondContact OG-O 3.2Å | ||
| 351 | K | 68.6 | Low | 62.2 | Low | 122 Ų | 122 | 68.6 Ų | 68.6 | 53% | 0.53 | 37% | 0.365 | S | S | . | . | trans | -72.6 | 101.6 | 163.6 | -117.6 | -169.7 | 177 | -164.5 | 0 | 107.8 | A323 T324 Q373 | A323-K351 WeakPolarHBondContact O-CE 3.49Å; T324-K351 HydrophobicContact CG2-CB 4.39Å; T324-K351 HydrophobicContact CG2-CG 4.13Å; K351-Q373 PolarHBondContact N-O 2.88Å | ||
| 352 | Q | 54.9 | Low | 59 | Low | 121 Ų | 121 | 78 Ų | 78 | 57% | 0.565 | 41% | 0.406 | S | S | * | . | trans | -70.6 | 128.9 | 176.1 | -167.4 | 171.4 | -9.2 | 0 | 0 | 109.1 | S350 T354 | S350-Q352 PolarHBondContact O-N 2.71Å; S350-Q352 VanDerWaalsContact O-N 3.1Å; Q352-T354 PolarHBondContact O-N 2.91Å | ||
| 353 | E | 44.2 | Very low | 55.7 | Low | 128 Ų | 128 | 85 Ų | 85 | 60% | 0.598 | 45% | 0.449 | S | S | * | . | trans | -70.5 | 111.9 | 167.8 | -79.4 | -169.5 | 150.8 | 0 | 0 | 108.8 | E355 F372 | E353-E355 VanDerWaalsContact C-N 3.33Å; E353-E355 PolarHBondContact O-N 3.11Å; E353-E355 VanDerWaalsContact O-N 3.12Å; E353-F372 HydrophobicContact CG-CE1 3.71Å; E353-F372 HydrophobicContact CG-CZ 4.1Å; E353-F372 VanDerWaalsContact OE2-CZ 3.26Å; E353-F372 WeakPolarHBondContact OE2-CZ 3.34Å | ||
| 354 | T | 37 | Very low | 52.5 | Low | 120 Ų | 120 | 88 Ų | 88 | 74% | 0.736 | 48% | 0.48 | S | S | * | . | trans | -76.7 | 88.3 | 166.2 | 51.3 | 0 | 0 | 0 | 0 | 108.1 | Q352 S356 | Q352-T354 PolarHBondContact O-N 2.91Å; T354-S356 PolarHBondContact O-N 3.3Å | ||
| 355 | E | 28.9 | Very low | 49.2 | Very low | 150 Ų | 150 | 97.1 Ų | 97.1 | 70% | 0.701 | 52% | 0.519 | S | S | * | . | trans | -55.5 | 108.7 | 162.1 | -69.9 | -171 | 123.1 | 0 | 0 | 108.4 | R24 E353 | R24-E355 IonicContact NH2-OE2 3.85Å; E353-E355 VanDerWaalsContact C-N 3.33Å; E353-E355 PolarHBondContact O-N 3.11Å; E353-E355 VanDerWaalsContact O-N 3.12Å | ||
| 356 | S | 24.4 | Very low | 46.2 | Very low | 114 Ų | 114 | 104.5 Ų | 104.5 | 80% | 0.797 | 55% | 0.554 | S | S | * | * | S | Bend | trans | 42.8 | 78.6 | 172 | 57.8 | 0 | 0 | 0 | 0 | 116.5 | T354 | T354-S356 PolarHBondContact O-N 3.3Š|
| 357 | D | 26.8 | Very low | 43 | Very low | 121 Ų | 121 | 113 Ų | 113 | 65% | 0.647 | 60% | 0.6 | S | S | * | * | trans | -136.2 | 152.9 | 143.2 | -137.6 | -27.5 | 0 | 0 | 0 | 112.3 | ||||
| 358 | G | 26 | Very low | 40.1 | Very low | 65 Ų | 65 | 116.7 Ų | 116.7 | 67% | 0.67 | 63% | 0.626 | S | S | * | * | trans | -112.2 | 79.6 | -150.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 359 | V | 26.7 | Very low | 37.5 | Very low | 121 Ų | 121 | 124.6 Ų | 124.6 | 73% | 0.733 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -162.7 | 152.7 | 151.1 | 129.9 | 0 | 0 | 0 | 0 | 110.2 | ||
| 360 | F | 27.2 | Very low | 35 | Very low | 142 Ų | 142 | 125.8 Ų | 125.8 | 62% | 0.623 | 68% | 0.684 | S | S | * | * | trans | 61.3 | 54.8 | -175.1 | -64.8 | -65.2 | 0 | 0 | 0 | 117.7 | A278 F362 | A278-F360 HydrophobicContact CB-CE2 3.95Å; A278-F360 HydrophobicContact CB-CZ 3.82Å; F360-F362 PolarHBondContact O-N 3.32Å | ||
| 361 | K | 22.9 | Very low | 33.1 | Very low | 201 Ų | 201 | 133.2 Ų | 133.2 | 87% | 0.874 | 72% | 0.723 | S | S | * | * | trans | -67.5 | 106.5 | 152.5 | -79.7 | -178.5 | 176.8 | 172.8 | 0 | 110.2 | T363 | K361-T363 PolarHBondContact O-N 3.17Š| ||
| 362 | F | 25.9 | Very low | 32.3 | Very low | 200 Ų | 200 | 130.8 Ų | 130.8 | 88% | 0.877 | 71% | 0.712 | S | S | * | * | trans | -63.3 | 120.4 | 161.3 | -96 | -89 | 0 | 0 | 0 | 109.2 | F360 G364 | F360-F362 PolarHBondContact O-N 3.32Å; F362-G364 PolarHBondContact O-N 2.91Å | ||
| 363 | T | 25.4 | Very low | 32.7 | Very low | 146 Ų | 146 | 127.5 Ų | 127.5 | 90% | 0.896 | 70% | 0.697 | S | S | * | * | trans | -79.4 | 40 | -174 | 41.4 | 0 | 0 | 0 | 0 | 113.9 | K361 | K361-T363 PolarHBondContact O-N 3.17Š| ||
| 364 | G | 27.2 | Very low | 34.2 | Very low | 64 Ų | 64 | 122.8 Ų | 122.8 | 66% | 0.66 | 68% | 0.678 | S | S | * | * | trans | -92.1 | 106.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | F362 Q366 | F362-G364 PolarHBondContact O-N 2.91Å; G364-Q366 PolarHBondContact O-N 2.89Å; G364-Q366 VanDerWaalsContact O-N 3.1Å | ||
| 365 | K | 26.1 | Very low | 36.6 | Very low | 191 Ų | 191 | 117 Ų | 117 | 83% | 0.83 | 64% | 0.643 | S | S | * | * | trans | -68.9 | 102.5 | 168.2 | -77.1 | -177.2 | 176.3 | 178.2 | 0 | 109.9 | ||||
| 366 | Q | 31.1 | Very low | 39.5 | Very low | 160 Ų | 160 | 110.5 Ų | 110.5 | 75% | 0.748 | 61% | 0.613 | S | S | * | * | trans | -129.7 | 112.4 | 160.1 | -70.8 | -158.9 | -3.4 | 0 | 0 | 110.9 | G364 S368 | G364-Q366 PolarHBondContact O-N 2.89Å; G364-Q366 VanDerWaalsContact O-N 3.1Å; Q366-S368 PolarHBondContact O-N 3.22Å | ||
| 367 | N | 27.1 | Very low | 42.7 | Very low | 179 Ų | 179 | 105.1 Ų | 105.1 | 96% | 0.957 | 58% | 0.575 | S | S | * | * | trans | -77.9 | 62.8 | 166.2 | -70.6 | 5 | 0 | 0 | 0 | 109.2 | ||||
| 368 | S | 31.9 | Very low | 45.8 | Very low | 77 Ų | 77 | 100.7 Ų | 100.7 | 54% | 0.538 | 55% | 0.55 | S | S | . | * | trans | -101.3 | 124.4 | 170.5 | 57.5 | 0 | 0 | 0 | 0 | 109 | Q366 G370 | Q366-S368 PolarHBondContact O-N 3.22Å; S368-G370 PolarHBondContact O-N 2.9Å; S368-G370 VanDerWaalsContact O-N 3.12Å | ||
| 369 | I | 36.1 | Very low | 49.1 | Very low | 167 Ų | 167 | 97.6 Ų | 97.6 | 86% | 0.856 | 52% | 0.519 | S | S | * | . | trans | -49.9 | 120 | 169.2 | -66.9 | 158.8 | 0 | 0 | 0 | 107.8 | N371 | I369-N371 PolarHBondContact O-N 3.03Å; I369-N371 VanDerWaalsContact O-N 3.1Å | ||
| 370 | G | 36.7 | Very low | 52.4 | Low | 44 Ų | 44 | 92.1 Ų | 92.1 | 45% | 0.454 | 49% | 0.485 | S | S | . | . | trans | -63.7 | 112 | -166.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | S368 F372 | S368-G370 PolarHBondContact O-N 2.9Å; S368-G370 VanDerWaalsContact O-N 3.12Å; G370-F372 PolarHBondContact O-N 2.81Å | ||
| 371 | N | 41.1 | Very low | 55.7 | Low | 165 Ų | 165 | 86 Ų | 86 | 88% | 0.882 | 46% | 0.458 | S | S | * | . | trans | -70 | 86.7 | 165.7 | -84.1 | -32.1 | 0 | 0 | 0 | 108.7 | I369 Q373 | I369-N371 PolarHBondContact O-N 3.03Å; I369-N371 VanDerWaalsContact O-N 3.1Å; N371-Q373 PolarHBondContact O-N 3.35Å | ||
| 372 | F | 50.5 | Low | 59.2 | Low | 70 Ų | 70 | 76.5 Ų | 76.5 | 31% | 0.307 | 42% | 0.417 | S | S | . | . | trans | -53.1 | 109.2 | 168.1 | -80.1 | -86.2 | 0 | 0 | 0 | 109.2 | E353 G370 S374 Q427 T429 | E353-F372 HydrophobicContact CG-CE1 3.71Å; E353-F372 HydrophobicContact CG-CZ 4.1Å; E353-F372 VanDerWaalsContact OE2-CZ 3.26Å; E353-F372 WeakPolarHBondContact OE2-CZ 3.34Å; G370-F372 PolarHBondContact O-N 2.81Å; F372-S374 PolarHBondContact O-N 2.9Å; F372-Q427 HydrophobicContact CD2-CB 4.25Å; F372-Q427 HydrophobicContact CE2-CB 4.39Å; F372-T429 HydrophobicContact CD1-CG2 3.65Å; F372-T429 HydrophobicContact CE1-CG2 3.65Å | ||
| 373 | Q | 62.7 | Low | 62.5 | Low | 52 Ų | 52 | 68.3 Ų | 68.3 | 24% | 0.243 | 38% | 0.384 | C | S | . | . | trans | -83.4 | 110.6 | 179.8 | -168.2 | 173.5 | 10.6 | 0 | 0 | 108.6 | P322 S350 K351 N371 | P322-Q373 VanDerWaalsContact CG-OE1 3.24Å; S350-Q373 WeakPolarHBondContact CA-O 3.33Å; S350-Q373 WeakPolarHBondContact CB-O 3.33Å; K351-Q373 PolarHBondContact N-O 2.88Å; N371-Q373 PolarHBondContact O-N 3.35Å | ||
| 374 | S | 77.1 | Confident | 65.7 | Low | 29 Ų | 29 | 61.6 Ų | 61.6 | 20% | 0.203 | 34% | 0.342 | C | S | . | . | trans | -59 | 155 | 172.7 | -50.4 | 0 | 0 | 0 | 0 | 111.5 | F372 T376 S417 | F372-S374 PolarHBondContact O-N 2.9Å; S374-T376 WeakPolarHBondContact O-CG2 3.5Å; S374-S417 WeakPolarHBondContact CB-OG 3.49Å; S374-S417 WeakPolarHBondContact OG-CB 3.44Å; S374-S417 PolarHBondContact OG-OG 2.87Å | ||
| 375 | P | 87.9 | Confident | 68.8 | Low | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 35% | 0.345 | C | S | . | . | trans | -63.2 | 150.5 | 173.8 | 19.6 | -17.1 | 0 | 0 | 0 | 109.7 | W348 L416 S430 L432 | W348-P375 CarbonylContact O-C 3.55Å; W348-P375 VanDerWaalsContact O-CA 3.28Å; W348-P375 WeakPolarHBondContact O-CA 3.44Å; W348-P375 WeakPolarHBondContact O-CB 3.38Å; P375-L416 HydrophobicContact CG-CB 4.15Å; P375-L416 PolarHBondContact O-N 2.89Å; P375-S430 VanDerWaalsContact CD-O 3.22Å; P375-S430 WeakPolarHBondContact CD-O 3.3Å; P375-S430 WeakPolarHBondContact CD-OG 3.31Å; P375-S430 WeakPolarHBondContact CG-O 3.22Å; P375-L432 HydrophobicContact CB-CB 3.96Å; P375-L432 HydrophobicContact CG-CB 4.4Å | ||
| 376 | T | 88.8 | Confident | 71.8 | Confident | 13 Ų | 13 | 63.3 Ų | 63.3 | 8% | 0.08 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 143.1 | -175.7 | 73.6 | 0 | 0 | 0 | 0 | 110.3 | G347 W348 S374 T414 T415 | G347-T376 WeakPolarHBondContact CA-O 3.47Å; W348-T376 PolarHBondContact N-O 3.09Å; W348-T376 PolarHBondContact O-N 2.82Å; S374-T376 WeakPolarHBondContact O-CG2 3.5Å; T376-T414 WeakPolarHBondContact CA-O 3.32Å; T376-T415 HydrophobicContact CG2-CG2 3.95Å |
| 377 | V | 91.7 | Very high | 74.5 | Confident | 1 Ų | 1 | 58.9 Ų | 58.9 | 1% | 0.006 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 138.8 | 172.4 | -64.3 | 0 | 0 | 0 | 0 | 109.5 | W345 V346 T414 L416 L432 F476 | W345-V377 HydrophobicContact CE3-CB 3.89Å; W345-V377 HydrophobicContact CE3-CG2 4.06Å; W345-V377 HydrophobicContact CZ3-CB 4.04Å; W345-V377 HydrophobicContact CZ3-CG2 3.78Å; V346-V377 WeakPolarHBondContact O-CA 3.49Å; V377-T414 HydrophobicContact CG2-CG2 3.45Å; V377-T414 VanDerWaalsContact CG2-CG2 3.45Å; V377-T414 PolarHBondContact N-O 2.86Å; V377-T414 PolarHBondContact O-N 3.41Å; V377-L416 HydrophobicContact CG1-CD1 3.86Å; V377-L416 HydrophobicContact CG2-CD1 4.17Å; V377-L416 HydrophobicContact CG2-CD2 4.23Å; V377-L416 HydrophobicContact CG2-CG 4.25Å; V377-L432 HydrophobicContact CG1-CD2 3.97Å; V377-F476 HydrophobicContact CB-CD1 4.43Å; V377-F476 HydrophobicContact CB-CE1 4.38Å; V377-F476 HydrophobicContact CG1-CD1 4.22Å; V377-F476 HydrophobicContact CG2-CD1 4.08Å; V377-F476 HydrophobicContact CG2-CE1 4.07Å; V377-F476 HydrophobicContact CG2-CG 4.47Å; V377-F476 HydrophobicContact CG2-CZ 4.45Å |
| 378 | K | 92.6 | Very high | 77.2 | Confident | 28 Ų | 28 | 53.6 Ų | 53.6 | 12% | 0.122 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 136 | -179.1 | -62 | -178.3 | 153.6 | -166.2 | 0 | 111.8 | W345 V346 W348 F380 E410 L412 S413 | W345-K378 CarbonylContact C-O 3.49Å; W345-K378 WeakPolarHBondContact CA-O 3.32Å; V346-K378 PolarHBondContact N-O 2.88Å; V346-K378 PolarHBondContact O-N 3.44Å; W348-K378 HydrophobicContact CE3-CG 4.5Å; W348-K378 HydrophobicContact CH2-CB 4.35Å; W348-K378 HydrophobicContact CH2-CD 3.89Å; W348-K378 HydrophobicContact CH2-CG 4.37Å; W348-K378 HydrophobicContact CZ3-CB 3.81Å; W348-K378 HydrophobicContact CZ3-CD 3.72Å; W348-K378 HydrophobicContact CZ3-CG 3.74Å; K378-F380 HydrophobicContact CB-CD2 4.36Å; K378-F380 HydrophobicContact CB-CE2 3.67Å; K378-F380 HydrophobicContact CB-CZ 4.15Å; K378-F380 HydrophobicContact CD-CE2 4.43Å; K378-F380 HydrophobicContact CD-CZ 4.16Å; K378-E410 HydrophobicContact CD-CG 4.46Å; K378-E410 WeakPolarHBondContact CD-OE2 3.15Å; K378-E410 WeakPolarHBondContact CE-OE1 3.46Å; K378-E410 WeakPolarHBondContact CE-OE2 3.38Å; K378-E410 VanDerWaalsContact NZ-CD 3.28Å; K378-E410 IonicContact NZ-OE1 3.62Å; K378-E410 PolarHBondContact NZ-OE1 3.15Å; K378-E410 VanDerWaalsContact NZ-OE1 3.11Å; K378-E410 IonicContact NZ-OE2 2.69Å; K378-E410 PolarHBondContact NZ-OE2 3.03Å; K378-L412 CarbonylContact C-O 3.58Å; K378-L412 WeakPolarHBondContact CA-O 3.12Å; K378-S413 WeakPolarHBondContact CE-OG 3.2Å |
| 379 | L | 95.2 | Very high | 79.3 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 121.6 | 173.7 | -174.9 | 58.8 | 0 | 0 | 0 | 109.4 | F343 W345 R411 L412 F490 W495 | F343-L379 HydrophobicContact CB-CD1 3.63Å; F343-L379 HydrophobicContact CD1-CD1 4.01Å; F343-L379 HydrophobicContact CD1-CD2 4.19Å; F343-L379 HydrophobicContact CD1-CG 3.98Å; F343-L379 HydrophobicContact CG-CD1 4.18Å; W345-L379 HydrophobicContact CD2-CB 4.01Å; W345-L379 HydrophobicContact CD2-CD1 4.07Å; W345-L379 HydrophobicContact CE3-CB 4.06Å; W345-L379 HydrophobicContact CG-CD1 4.08Å; W345-L379 HydrophobicContact CH2-CB 3.9Å; W345-L379 HydrophobicContact CZ2-CB 3.82Å; W345-L379 HydrophobicContact CZ2-CD1 4.4Å; W345-L379 HydrophobicContact CZ2-CD2 4.18Å; W345-L379 HydrophobicContact CZ2-CG 4.36Å; W345-L379 HydrophobicContact CZ3-CB 4Å; L379-R411 PolarHBondContact O-N 3.23Å; L379-L412 HydrophobicContact CB-CB 3.99Å; L379-L412 HydrophobicContact CD2-CB 4.32Å; L379-L412 HydrophobicContact CD2-CD2 4.46Å; L379-L412 PolarHBondContact N-O 3.09Å; L379-F490 HydrophobicContact CD2-CE1 4.47Å; L379-F490 HydrophobicContact CD2-CE2 4.45Å; L379-F490 HydrophobicContact CD2-CZ 3.79Å; L379-W495 HydrophobicContact CD2-CD2 4.36Å; L379-W495 HydrophobicContact CD2-CE3 4.32Å; L379-W495 HydrophobicContact CD2-CH2 4.15Å; L379-W495 HydrophobicContact CD2-CZ2 4.2Å; L379-W495 HydrophobicContact CD2-CZ3 4.21Å |
| 380 | F | 95.7 | Very high | 80.9 | Confident | 5 Ų | 5 | 50 Ų | 50 | 2% | 0.022 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 133.9 | 169.6 | -62 | -95.5 | 0 | 0 | 0 | 110 | W303 L317 F343 I344 V346 W348 K378 I408 A409 E410 | W303-F380 HydrophobicContact CZ2-CD1 4.36Å; W303-F380 HydrophobicContact CZ2-CD2 4.05Å; W303-F380 HydrophobicContact CZ2-CE2 4.28Å; W303-F380 HydrophobicContact CZ2-CG 4.1Å; L317-F380 HydrophobicContact CD2-CE1 3.66Å; L317-F380 HydrophobicContact CD2-CZ 3.67Å; F343-F380 VanDerWaalsContact CA-O 3.26Å; F343-F380 WeakPolarHBondContact CA-O 3.42Å; I344-F380 HydrophobicContact CG2-CB 3.95Å; I344-F380 PolarHBondContact N-O 3.21Å; I344-F380 PolarHBondContact O-N 2.85Å; V346-F380 HydrophobicContact CB-CD2 4.39Å; V346-F380 HydrophobicContact CB-CE2 4.05Å; V346-F380 HydrophobicContact CG2-CD2 3.73Å; V346-F380 HydrophobicContact CG2-CE2 3.77Å; W348-F380 AromaticContact CH2-CE2 3.91Å; W348-F380 HydrophobicContact CH2-CE2 3.91Å; W348-F380 HydrophobicContact CH2-CZ 4.11Å; W348-F380 HydrophobicContact CZ3-CE2 4.46Å; K378-F380 HydrophobicContact CB-CD2 4.36Å; K378-F380 HydrophobicContact CB-CE2 3.67Å; K378-F380 HydrophobicContact CB-CZ 4.15Å; K378-F380 HydrophobicContact CD-CE2 4.43Å; K378-F380 HydrophobicContact CD-CZ 4.16Å; F380-I408 HydrophobicContact CB-CG2 3.67Å; F380-I408 HydrophobicContact CD1-CG2 4.01Å; F380-I408 HydrophobicContact CG-CG2 4.19Å; F380-A409 CarbonylContact C-O 3.6Å; F380-A409 VanDerWaalsContact CA-O 3.31Å; F380-A409 WeakPolarHBondContact CA-O 3.49Å; F380-E410 HydrophobicContact CD1-CB 4.01Å; F380-E410 HydrophobicContact CE1-CB 3.79Å; F380-E410 HydrophobicContact CE1-CG 4.22Å; F380-E410 HydrophobicContact CZ-CG 4.49Å |
| 381 | Q | 95.8 | Very high | 82.3 | Confident | 15 Ų | 15 | 52.6 Ų | 52.6 | 7% | 0.07 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 125.8 | 167 | 179.8 | -167.4 | -26.7 | 0 | 0 | 108.5 | C341 F343 S383 I408 A409 R411 | C341-Q381 HydrophobicContact CB-CG 3.96Å; C341-Q381 PolarHBondContact SG-NE2 2.94Å; F343-Q381 HydrophobicContact CD1-CB 3.89Å; F343-Q381 HydrophobicContact CD1-CG 4.38Å; F343-Q381 HydrophobicContact CE1-CB 3.58Å; F343-Q381 HydrophobicContact CE1-CG 3.78Å; F343-Q381 HydrophobicContact CZ-CB 4.33Å; F343-Q381 HydrophobicContact CZ-CG 4.02Å; Q381-S383 PolarHBondContact NE2-OG 2.8Å; Q381-S383 VanDerWaalsContact NE2-OG 3.1Å; Q381-I408 CarbonylContact O-C 3.58Å; Q381-I408 VanDerWaalsContact O-CA 3.26Å; Q381-I408 WeakPolarHBondContact O-CA 3.42Å; Q381-A409 PolarHBondContact N-O 3.29Å; Q381-A409 PolarHBondContact O-N 2.86Å; Q381-R411 HydrophobicContact CB-CG 3.59Å |
| 382 | L | 96.1 | Very high | 83.1 | Confident | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 134.8 | 165.1 | -54.7 | 84.1 | 0 | 0 | 0 | 107.8 | L291 L305 C341 C342 I344 Y384 L405 I408 | L291-L382 HydrophobicContact CD1-CD2 3.8Å; L305-L382 HydrophobicContact CD2-CD2 3.75Å; C341-L382 VanDerWaalsContact CA-O 3.23Å; C341-L382 WeakPolarHBondContact CA-O 3.41Å; C342-L382 PolarHBondContact N-O 2.88Å; C342-L382 VanDerWaalsContact N-O 3.09Å; C342-L382 PolarHBondContact O-N 2.99Å; C342-L382 VanDerWaalsContact O-O 3.13Å; I344-L382 HydrophobicContact CB-CD1 3.97Å; I344-L382 HydrophobicContact CG2-CD1 3.72Å; L382-Y384 HydrophobicContact CB-CD2 4.23Å; L382-Y384 HydrophobicContact CB-CE2 3.67Å; L382-Y384 HydrophobicContact CD2-CE2 3.98Å; L382-Y384 HydrophobicContact CG-CE2 4.49Å; L382-L405 HydrophobicContact CB-CD1 3.98Å; L382-L405 HydrophobicContact CD2-CD1 4.38Å; L382-I408 HydrophobicContact CB-CG1 4.34Å; L382-I408 HydrophobicContact CD2-CD1 3.8Å; L382-I408 HydrophobicContact CD2-CG1 4.42Å; L382-I408 HydrophobicContact CG-CD1 3.78Å; L382-I408 HydrophobicContact CG-CG1 3.98Å |
| 383 | S | 95.1 | Very high | 83.1 | Confident | 27 Ų | 27 | 49.6 Ų | 49.6 | 19% | 0.189 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 125.4 | 176.2 | -50.5 | 0 | 0 | 0 | 0 | 109.4 | Q381 I406 G407 | Q381-S383 PolarHBondContact NE2-OG 2.8Å; Q381-S383 VanDerWaalsContact NE2-OG 3.1Å; S383-I406 WeakPolarHBondContact O-CA 3.27Å; S383-I406 WeakPolarHBondContact O-CB 3.43Å; S383-I406 PolarHBondContact O-N 3.42Å; S383-G407 PolarHBondContact N-O 3.22Å; S383-G407 PolarHBondContact O-N 2.99Å |
| 384 | Y | 94 | Very high | 82.6 | Confident | 5 Ų | 5 | 53.3 Ų | 53.3 | 2% | 0.02 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 153.2 | -175.5 | -78.4 | -85.3 | 0 | 0 | 0 | 112.3 | L291 F340 L382 Y402 L405 | L291-Y384 HydrophobicContact CD2-CD2 4.49Å; L291-Y384 HydrophobicContact CD2-CE2 3.62Å; F340-Y384 PolarHBondContact O-N 3.43Å; L382-Y384 HydrophobicContact CB-CD2 4.23Å; L382-Y384 HydrophobicContact CB-CE2 3.67Å; L382-Y384 HydrophobicContact CD2-CE2 3.98Å; L382-Y384 HydrophobicContact CG-CE2 4.49Å; Y384-Y402 AromaticContact CD2-CD1 3.85Å; Y384-Y402 HydrophobicContact CD2-CD1 3.85Å; Y384-Y402 HydrophobicContact CD2-CG 4.2Å; Y384-Y402 HydrophobicContact CG-CD1 4.08Å; Y384-Y402 HydrophobicContact CG-CG 4.44Å; Y384-L405 HydrophobicContact CD1-CB 4.13Å; Y384-L405 HydrophobicContact CD1-CD1 4.44Å; Y384-L405 HydrophobicContact CD2-CD1 4.36Å; Y384-L405 HydrophobicContact CE1-CB 3.62Å; Y384-L405 HydrophobicContact CE1-CD1 3.97Å; Y384-L405 HydrophobicContact CE1-CG 4.39Å; Y384-L405 HydrophobicContact CE2-CD1 3.85Å |
| 385 | R | 91.8 | Very high | 81.3 | Confident | 188 Ų | 188 | 54.1 Ų | 54.1 | 71% | 0.709 | 24% | 0.244 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -82.2 | -28.4 | 179.2 | -166.8 | 174.7 | 179 | 157.8 | 0.3 | 113 | Q403 D404 I406 | R385-Q403 PolarHBondContact N-O 3.49Å; R385-D404 HydrophobicContact CB-CB 4.13Å; R385-D404 PolarHBondContact N-O 3.37Å; R385-I406 HydrophobicContact CB-CD1 3.97Å; R385-I406 HydrophobicContact CB-CG1 4.01Å; R385-I406 HydrophobicContact CG-CD1 4.49Å |
| 386 | R | 89.3 | Confident | 79.7 | Confident | 103 Ų | 103 | 59.8 Ų | 59.8 | 39% | 0.389 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 139.5 | -176.2 | -64.6 | -172.9 | -79.2 | 172.1 | -5.8 | 110.6 | Y388 Q403 D404 | R386-Y388 HydrophobicContact CB-CE2 4.14Å; R386-Y388 WeakPolarHBondContact CD-OH 3.25Å; R386-Y388 PolarHBondContact NH1-OH 3.46Å; R386-Q403 HydrophobicContact CB-CB 4.41Å; R386-Q403 PolarHBondContact N-O 2.98Å; R386-Q403 VanDerWaalsContact N-O 3.08Å; R386-Q403 PolarHBondContact O-N 2.56Å; R386-D404 IonicContact CZ-OD2 3.11Å; R386-D404 IonicContact NE-OD2 2.76Å; R386-D404 PolarHBondContact NE-OD2 3.32Å; R386-D404 IonicContact NH2-OD1 2.94Å; R386-D404 PolarHBondContact NH2-OD1 2.93Å; R386-D404 IonicContact NH2-OD2 3.39Å; R386-D404 PolarHBondContact NH2-OD2 2.89Å |
| 387 | R | 87.4 | Confident | 78.2 | Confident | 67 Ų | 67 | 60.9 Ų | 60.9 | 25% | 0.253 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 141 | 163.1 | -166.7 | 179.3 | 80 | 162.6 | 0.1 | 108.5 | E333 F340 E389 F400 Y401 Y402 | E333-R387 IonicContact OE1-NH1 3.71Å; F340-R387 HydrophobicContact CB-CB 4.28Å; F340-R387 HydrophobicContact CD1-CB 3.68Å; F340-R387 HydrophobicContact CD2-CB 4.47Å; F340-R387 HydrophobicContact CE1-CB 4.11Å; F340-R387 HydrophobicContact CG-CB 3.89Å; R387-E389 IonicContact CZ-OE1 3.62Å; R387-E389 IonicContact NE-OE1 2.89Å; R387-E389 IonicContact NH2-OE1 3.35Å; R387-E389 PolarHBondContact NH2-OE1 3.07Å; R387-F400 HydrophobicContact CG-CB 4.27Å; R387-F400 HydrophobicContact CG-CD1 4.36Å; R387-Y401 CarbonylContact C-O 3.57Å; R387-Y401 WeakPolarHBondContact CA-O 3.27Å; R387-Y402 HydrophobicContact CG-CD1 4.39Å; R387-Y402 HydrophobicContact CG-CD2 4.49Å; R387-Y402 HydrophobicContact CG-CE1 4.17Å; R387-Y402 HydrophobicContact CG-CE2 4.24Å |
| 388 | Y | 83 | Confident | 76.8 | Confident | 68 Ų | 68 | 66.6 Ų | 66.6 | 27% | 0.267 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 153.5 | 171.2 | -55.5 | -84.4 | 0 | 0 | 0 | 109.8 | R386 F400 Y401 Q403 | R386-Y388 HydrophobicContact CB-CE2 4.14Å; R386-Y388 WeakPolarHBondContact CD-OH 3.25Å; R386-Y388 PolarHBondContact NH1-OH 3.46Å; Y388-F400 WeakPolarHBondContact O-CA 3.29Å; Y388-Y401 PolarHBondContact N-O 3.5Å; Y388-Y401 PolarHBondContact O-N 2.73Å; Y388-Q403 HydrophobicContact CD2-CG 4.38Å; Y388-Q403 HydrophobicContact CE2-CB 4.03Å; Y388-Q403 HydrophobicContact CE2-CG 3.95Å; Y388-Q403 VanDerWaalsContact CE2-OE1 3.26Å |
| 389 | E | 77.3 | Confident | 75.7 | Confident | 112 Ų | 112 | 66 Ų | 66 | 52% | 0.523 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 116.9 | -175.6 | -44.7 | -168.8 | 158.6 | 0 | 0 | 106.9 | R387 F398 F400 | R387-E389 IonicContact CZ-OE1 3.62Å; R387-E389 IonicContact NE-OE1 2.89Å; R387-E389 IonicContact NH2-OE1 3.35Å; R387-E389 PolarHBondContact NH2-OE1 3.07Å; E389-F398 HydrophobicContact CB-CD1 4.48Å; E389-F400 HydrophobicContact CB-CD1 4.43Å; E389-F400 HydrophobicContact CB-CE1 4.37Å; E389-F400 HydrophobicContact CG-CD1 3.9Å; E389-F400 HydrophobicContact CG-CE1 3.84Å |
| 390 | L | 69.6 | Low | 75 | Confident | 58 Ų | 58 | 67.4 Ų | 67.4 | 30% | 0.304 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 119.7 | 178.6 | -121.8 | 80.4 | 0 | 0 | 0 | 108.9 | L177 S392 N399 Y401 | L177-L390 HydrophobicContact CD1-CD1 4.28Å; L177-L390 HydrophobicContact CD1-CD2 4.18Å; L390-S392 PolarHBondContact O-N 3.18Å; L390-N399 PolarHBondContact N-O 3.1Å; L390-N399 PolarHBondContact O-N 3.38Å; L390-Y401 HydrophobicContact CB-CD2 4.16Å; L390-Y401 HydrophobicContact CB-CE2 3.89Å; L390-Y401 HydrophobicContact CD2-CE2 4.35Å |
| 391 | F | 65.6 | Low | 74.5 | Confident | 98 Ų | 98 | 67.9 Ų | 67.9 | 43% | 0.43 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 119 | 175.2 | -171.8 | -102.6 | 0 | 0 | 0 | 110.4 | N393 K396 E397 F398 | F391-N393 WeakPolarHBondContact CD1-OD1 3.47Å; F391-N393 WeakPolarHBondContact CE1-OD1 3.44Å; F391-K396 VanDerWaalsContact CE2-O 3.27Å; F391-K396 WeakPolarHBondContact CE2-O 3.41Å; F391-K396 HydrophobicContact CZ-CB 4.26Å; F391-E397 CarbonylContact C-O 3.59Å; F391-E397 WeakPolarHBondContact CA-O 3.26Å; F391-E397 WeakPolarHBondContact CD2-O 3.48Å; F391-F398 HydrophobicContact CB-CD1 4.2Å; F391-F398 HydrophobicContact CB-CE1 4.04Å; F391-F398 HydrophobicContact CD2-CD1 4.07Å; F391-F398 AromaticContact CD2-CD2 3.95Å; F391-F398 HydrophobicContact CD2-CD2 3.95Å; F391-F398 AromaticContact CD2-CE1 3.84Å; F391-F398 HydrophobicContact CD2-CE1 3.84Å; F391-F398 AromaticContact CD2-CE2 3.7Å; F391-F398 HydrophobicContact CD2-CE2 3.7Å; F391-F398 HydrophobicContact CD2-CG 4.13Å; F391-F398 AromaticContact CD2-CZ 3.65Å; F391-F398 HydrophobicContact CD2-CZ 3.65Å; F391-F398 HydrophobicContact CE2-CD2 4.37Å; F391-F398 HydrophobicContact CE2-CE2 4.01Å; F391-F398 HydrophobicContact CE2-CZ 4.27Å; F391-F398 HydrophobicContact CG-CE1 4.36Å; F391-F398 HydrophobicContact CG-CZ 4.47Å |
| 392 | S | 58.1 | Low | 74.3 | Confident | 29 Ų | 29 | 67.6 Ų | 67.6 | 20% | 0.203 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 105.3 | 178.4 | -179.4 | 0 | 0 | 0 | 0 | 110.9 | L390 K394 H395 K396 E397 | L390-S392 PolarHBondContact O-N 3.18Å; S392-K394 PolarHBondContact O-N 2.95Å; S392-K394 VanDerWaalsContact O-N 3.11Å; S392-H395 PolarHBondContact O-N 2.74Å; S392-H395 PolarHBondContact OG-CD2 3.18Å; S392-K396 WeakPolarHBondContact O-CA 3.26Å; S392-K396 PolarHBondContact O-N 3.22Å; S392-E397 PolarHBondContact N-O 2.91Å |
| 393 | N | 50.6 | Low | 73.9 | Confident | 142 Ų | 142 | 69 Ų | 69 | 76% | 0.759 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -21.4 | 176.1 | -76.5 | -8.8 | 0 | 0 | 0 | 113.9 | F391 | F391-N393 WeakPolarHBondContact CD1-OD1 3.47Å; F391-N393 WeakPolarHBondContact CE1-OD1 3.44Å |
| 394 | K | 51.3 | Low | 73.6 | Confident | 130 Ų | 130 | 69.6 Ų | 69.6 | 57% | 0.565 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -25.5 | 174.9 | -78.7 | -166.7 | 174.3 | -170.4 | 0 | 113.5 | D147 S392 N465 | D147-K394 IonicContact OD2-NZ 3.68Å; D147-K394 PolarHBondContact OD2-NZ 3.08Å; S392-K394 PolarHBondContact O-N 2.95Å; S392-K394 VanDerWaalsContact O-N 3.11Å; K394-N465 PolarHBondContact O-ND2 2.99Å |
| 395 | H | 49.6 | Very low | 73.5 | Confident | 46 Ų | 46 | 71 Ų | 71 | 21% | 0.213 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118.1 | -12.7 | -174.3 | -51.7 | -40.3 | 0 | 0 | 0 | 113.4 | S392 E397 N465 | S392-H395 PolarHBondContact O-N 2.74Å; S392-H395 PolarHBondContact OG-CD2 3.18Å; H395-E397 HydrophobicContact CB-CB 4.25Å; H395-E397 HydrophobicContact CB-CG 4.33Å; H395-E397 PolarHBondContact O-N 3.02Å; H395-N465 PolarHBondContact CE1-OD1 2.77Å; H395-N465 PolarHBondContact ND1-ND2 3.24Å; H395-N465 PolarHBondContact ND1-OD1 2.83Å; H395-N465 VanDerWaalsContact ND1-OD1 3.08Å |
| 396 | K | 55.8 | Low | 73.5 | Confident | 120 Ų | 120 | 67.9 Ų | 67.9 | 52% | 0.522 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.2 | 23.2 | -171.1 | -64.8 | 176 | 173 | 176.1 | 0 | 114.3 | F391 S392 D447 | F391-K396 VanDerWaalsContact CE2-O 3.27Å; F391-K396 WeakPolarHBondContact CE2-O 3.41Å; F391-K396 HydrophobicContact CZ-CB 4.26Å; S392-K396 WeakPolarHBondContact O-CA 3.26Å; S392-K396 PolarHBondContact O-N 3.22Å; K396-D447 WeakPolarHBondContact CD-OD2 3.32Å; K396-D447 WeakPolarHBondContact CE-OD2 3.46Å; K396-D447 IonicContact NZ-OD1 3.19Å; K396-D447 PolarHBondContact NZ-OD1 3.05Å; K396-D447 IonicContact NZ-OD2 2.73Å; K396-D447 PolarHBondContact NZ-OD2 2.96Å |
| 397 | E | 55.9 | Low | 73.5 | Confident | 35 Ų | 35 | 64.4 Ų | 64.4 | 16% | 0.164 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 163 | -175.2 | -73.1 | 164.3 | 179.7 | 0 | 0 | 112 | F391 S392 H395 S467 | F391-E397 CarbonylContact C-O 3.59Å; F391-E397 WeakPolarHBondContact CA-O 3.26Å; F391-E397 WeakPolarHBondContact CD2-O 3.48Å; S392-E397 PolarHBondContact N-O 2.91Å; H395-E397 HydrophobicContact CB-CB 4.25Å; H395-E397 HydrophobicContact CB-CG 4.33Å; H395-E397 PolarHBondContact O-N 3.02Å; E397-S467 WeakPolarHBondContact OE1-CB 3.49Å; E397-S467 VanDerWaalsContact OE2-CA 3.27Å; E397-S467 WeakPolarHBondContact OE2-CA 3.35Å; E397-S467 WeakPolarHBondContact OE2-CB 3.41Å |
| 398 | F | 63.6 | Low | 73.9 | Confident | 121 Ų | 121 | 62.6 Ų | 62.6 | 53% | 0.531 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 112.8 | 170.8 | -71.3 | -89.4 | 0 | 0 | 0 | 110.1 | E389 F391 | E389-F398 HydrophobicContact CB-CD1 4.48Å; F391-F398 HydrophobicContact CB-CD1 4.2Å; F391-F398 HydrophobicContact CB-CE1 4.04Å; F391-F398 HydrophobicContact CD2-CD1 4.07Å; F391-F398 AromaticContact CD2-CD2 3.95Å; F391-F398 HydrophobicContact CD2-CD2 3.95Å; F391-F398 AromaticContact CD2-CE1 3.84Å; F391-F398 HydrophobicContact CD2-CE1 3.84Å; F391-F398 AromaticContact CD2-CE2 3.7Å; F391-F398 HydrophobicContact CD2-CE2 3.7Å; F391-F398 HydrophobicContact CD2-CG 4.13Å; F391-F398 AromaticContact CD2-CZ 3.65Å; F391-F398 HydrophobicContact CD2-CZ 3.65Å; F391-F398 HydrophobicContact CE2-CD2 4.37Å; F391-F398 HydrophobicContact CE2-CE2 4.01Å; F391-F398 HydrophobicContact CE2-CZ 4.27Å; F391-F398 HydrophobicContact CG-CE1 4.36Å; F391-F398 HydrophobicContact CG-CZ 4.47Å |
| 399 | N | 69.4 | Low | 74.4 | Confident | 15 Ų | 15 | 61.7 Ų | 61.7 | 8% | 0.08 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 131.8 | 171.6 | -69.5 | 17.8 | 0 | 0 | 0 | 109.6 | L390 Y401 | L390-N399 PolarHBondContact N-O 3.1Å; L390-N399 PolarHBondContact O-N 3.38Å; N399-Y401 HydrophobicContact CB-CD2 4.42Å; N399-Y401 HydrophobicContact CB-CE2 3.67Å |
| 400 | F | 80 | Confident | 75.1 | Confident | 31 Ų | 31 | 60.6 Ų | 60.6 | 14% | 0.136 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 132.6 | 175.7 | -60.2 | -66.8 | 0 | 0 | 0 | 111.5 | Q290 E333 R387 Y388 E389 Y402 M470 | Q290-F400 WeakPolarHBondContact CB-O 3.28Å; E333-F400 WeakPolarHBondContact OE1-CB 3.32Å; E333-F400 WeakPolarHBondContact OE1-CD2 3.4Å; E333-F400 VanDerWaalsContact OE1-CG 3.3Å; E333-F400 WeakPolarHBondContact OE1-CG 3.4Å; R387-F400 HydrophobicContact CG-CB 4.27Å; R387-F400 HydrophobicContact CG-CD1 4.36Å; Y388-F400 WeakPolarHBondContact O-CA 3.29Å; E389-F400 HydrophobicContact CB-CD1 4.43Å; E389-F400 HydrophobicContact CB-CE1 4.37Å; E389-F400 HydrophobicContact CG-CD1 3.9Å; E389-F400 HydrophobicContact CG-CE1 3.84Å; F400-Y402 HydrophobicContact CB-CE2 3.96Å; F400-M470 HydrophobicContact CD2-CE 4.01Å; F400-M470 HydrophobicContact CE2-CE 3.8Å; F400-M470 HydrophobicContact CE2-CG 4.23Å; F400-M470 HydrophobicContact CE2-SD 3.87Å |
| 401 | Y | 86.2 | Confident | 76.3 | Confident | 14 Ų | 14 | 61.5 Ų | 61.5 | 6% | 0.055 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 128.7 | 177.1 | -67.7 | -84.7 | 0 | 0 | 0 | 110.9 | I146 L177 P289 Q290 Q292 R387 Y388 L390 N399 | I146-Y401 HydrophobicContact CD1-CE1 4.46Å; L177-Y401 HydrophobicContact CD1-CD1 3.7Å; L177-Y401 HydrophobicContact CD1-CD2 3.45Å; L177-Y401 VanDerWaalsContact CD1-CD2 3.45Å; L177-Y401 HydrophobicContact CD1-CE1 3.93Å; L177-Y401 HydrophobicContact CD1-CE2 3.69Å; L177-Y401 HydrophobicContact CD1-CG 3.45Å; L177-Y401 VanDerWaalsContact CD1-CG 3.45Å; P289-Y401 WeakPolarHBondContact O-CE1 3.26Å; Q290-Y401 CarbonylContact O-C 3.47Å; Q290-Y401 WeakPolarHBondContact O-CA 3.49Å; Q292-Y401 HydrophobicContact CG-CD1 4.35Å; R387-Y401 CarbonylContact C-O 3.57Å; R387-Y401 WeakPolarHBondContact CA-O 3.27Å; Y388-Y401 PolarHBondContact N-O 3.5Å; Y388-Y401 PolarHBondContact O-N 2.73Å; L390-Y401 HydrophobicContact CB-CD2 4.16Å; L390-Y401 HydrophobicContact CB-CE2 3.89Å; L390-Y401 HydrophobicContact CD2-CE2 4.35Å; N399-Y401 HydrophobicContact CB-CD2 4.42Å; N399-Y401 HydrophobicContact CB-CE2 3.67Å |
| 402 | Y | 90 | Very high | 77.7 | Confident | 9 Ų | 9 | 57 Ų | 57 | 4% | 0.035 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 136.6 | -172.5 | -71.4 | -99.7 | 0 | 0 | 0 | 111 | Q290 L291 E333 F340 C342 Y384 R387 F400 | Q290-Y402 HydrophobicContact CB-CD2 4.45Å; Q290-Y402 PolarHBondContact O-N 2.86Å; L291-Y402 HydrophobicContact CD2-CD2 4.41Å; L291-Y402 HydrophobicContact CD2-CG 4.24Å; E333-Y402 HydrophobicContact CG-CE2 4.37Å; E333-Y402 WeakPolarHBondContact CG-OH 3.34Å; E333-Y402 PolarHBondContact OE1-OH 2.82Å; F340-Y402 HydrophobicContact CB-CD1 4.27Å; F340-Y402 HydrophobicContact CB-CE1 3.92Å; F340-Y402 WeakPolarHBondContact O-CE1 3.48Å; C342-Y402 HydrophobicContact CB-CE1 4.32Å; Y384-Y402 AromaticContact CD2-CD1 3.85Å; Y384-Y402 HydrophobicContact CD2-CD1 3.85Å; Y384-Y402 HydrophobicContact CD2-CG 4.2Å; Y384-Y402 HydrophobicContact CG-CD1 4.08Å; Y384-Y402 HydrophobicContact CG-CG 4.44Å; R387-Y402 HydrophobicContact CG-CD1 4.39Å; R387-Y402 HydrophobicContact CG-CD2 4.49Å; R387-Y402 HydrophobicContact CG-CE1 4.17Å; R387-Y402 HydrophobicContact CG-CE2 4.24Å; F400-Y402 HydrophobicContact CB-CE2 3.96Å |
| 403 | Q | 87.9 | Confident | 79.1 | Confident | 31 Ų | 31 | 57.7 Ų | 57.7 | 15% | 0.145 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 150.4 | -179 | -72.9 | -164.5 | -16.5 | 0 | 0 | 114 | R385 R386 Y388 | R385-Q403 PolarHBondContact N-O 3.49Å; R386-Q403 HydrophobicContact CB-CB 4.41Å; R386-Q403 PolarHBondContact N-O 2.98Å; R386-Q403 VanDerWaalsContact N-O 3.08Å; R386-Q403 PolarHBondContact O-N 2.56Å; Y388-Q403 HydrophobicContact CD2-CG 4.38Å; Y388-Q403 HydrophobicContact CE2-CB 4.03Å; Y388-Q403 HydrophobicContact CE2-CG 3.95Å; Y388-Q403 VanDerWaalsContact CE2-OE1 3.26Å |
| 404 | D | 88.7 | Confident | 80.9 | Confident | 39 Ų | 39 | 52.4 Ų | 52.4 | 21% | 0.209 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 54.6 | 88.7 | -172.5 | -39.3 | -51.5 | 0 | 0 | 0 | 112.7 | R310 R385 R386 I406 | R310-D404 IonicContact CZ-OD1 2.87Å; R310-D404 IonicContact NH1-OD1 2.88Å; R310-D404 IonicContact NH2-OD1 3.01Å; R310-D404 PolarHBondContact NH2-OD1 2.87Å; R385-D404 HydrophobicContact CB-CB 4.13Å; R385-D404 PolarHBondContact N-O 3.37Å; R386-D404 IonicContact CZ-OD2 3.11Å; R386-D404 IonicContact NE-OD2 2.76Å; R386-D404 PolarHBondContact NE-OD2 3.32Å; R386-D404 IonicContact NH2-OD1 2.94Å; R386-D404 PolarHBondContact NH2-OD1 2.93Å; R386-D404 IonicContact NH2-OD2 3.39Å; R386-D404 PolarHBondContact NH2-OD2 2.89Å; D404-I406 PolarHBondContact O-N 3.17Å |
| 405 | L | 92.8 | Very high | 82.6 | Confident | 34 Ų | 34 | 50.3 Ų | 50.3 | 18% | 0.178 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 121.8 | 174.8 | -177.3 | 68.1 | 0 | 0 | 0 | 110.6 | E314 F315 L382 Y384 I408 | E314-L405 HydrophobicContact CB-CD2 3.78Å; F315-L405 HydrophobicContact CB-CD2 4.24Å; L382-L405 HydrophobicContact CB-CD1 3.98Å; L382-L405 HydrophobicContact CD2-CD1 4.38Å; Y384-L405 HydrophobicContact CD1-CB 4.13Å; Y384-L405 HydrophobicContact CD1-CD1 4.44Å; Y384-L405 HydrophobicContact CD2-CD1 4.36Å; Y384-L405 HydrophobicContact CE1-CB 3.62Å; Y384-L405 HydrophobicContact CE1-CD1 3.97Å; Y384-L405 HydrophobicContact CE1-CG 4.39Å; Y384-L405 HydrophobicContact CE2-CD1 3.85Å; L405-I408 HydrophobicContact CD1-CD1 4.32Å; L405-I408 HydrophobicContact CD1-CG1 3.86Å; L405-I408 HydrophobicContact CD2-CD1 3.94Å; L405-I408 HydrophobicContact CD2-CG1 3.96Å; L405-I408 HydrophobicContact CG-CG1 4.38Å |
| 406 | I | 92.1 | Very high | 84.3 | Confident | 123 Ų | 123 | 48.4 Ų | 48.4 | 63% | 0.631 | 25% | 0.254 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.7 | -35.4 | 174.7 | -58.8 | 174.6 | 0 | 0 | 0 | 110.3 | S383 R385 D404 | S383-I406 WeakPolarHBondContact O-CA 3.27Å; S383-I406 WeakPolarHBondContact O-CB 3.43Å; S383-I406 PolarHBondContact O-N 3.42Å; R385-I406 HydrophobicContact CB-CD1 3.97Å; R385-I406 HydrophobicContact CB-CG1 4.01Å; R385-I406 HydrophobicContact CG-CD1 4.49Å; D404-I406 PolarHBondContact O-N 3.17Å |
| 407 | G | 89.9 | Confident | 85.1 | Confident | 31 Ų | 31 | 44.7 Ų | 44.7 | 32% | 0.32 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 168.5 | 168.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | S383 | S383-G407 PolarHBondContact N-O 3.22Å; S383-G407 PolarHBondContact O-N 2.99Å |
| 408 | I | 94.6 | Very high | 85 | Confident | 29 Ų | 29 | 44.5 Ų | 44.5 | 15% | 0.149 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 138.9 | 179.6 | -59.2 | -170.4 | 0 | 0 | 0 | 109.7 | W303 L305 F315 F380 Q381 L382 L405 | W303-I408 HydrophobicContact CH2-CD1 4.14Å; L305-I408 HydrophobicContact CD2-CD1 4.21Å; F315-I408 HydrophobicContact CB-CD1 3.8Å; F315-I408 HydrophobicContact CD1-CD1 3.83Å; F315-I408 HydrophobicContact CD2-CB 3.99Å; F315-I408 HydrophobicContact CD2-CD1 4.09Å; F315-I408 HydrophobicContact CD2-CG1 4.15Å; F315-I408 HydrophobicContact CE1-CB 4.43Å; F315-I408 HydrophobicContact CE1-CD1 4.41Å; F315-I408 HydrophobicContact CE1-CG2 4.3Å; F315-I408 HydrophobicContact CE2-CB 3.84Å; F315-I408 HydrophobicContact CE2-CG1 4.5Å; F315-I408 HydrophobicContact CE2-CG2 4.46Å; F315-I408 HydrophobicContact CG-CB 4.36Å; F315-I408 HydrophobicContact CG-CD1 3.64Å; F315-I408 HydrophobicContact CG-CG1 4.21Å; F315-I408 HydrophobicContact CZ-CB 4.06Å; F315-I408 HydrophobicContact CZ-CG2 4.17Å; F380-I408 HydrophobicContact CB-CG2 3.67Å; F380-I408 HydrophobicContact CD1-CG2 4.01Å; F380-I408 HydrophobicContact CG-CG2 4.19Å; Q381-I408 CarbonylContact O-C 3.58Å; Q381-I408 VanDerWaalsContact O-CA 3.26Å; Q381-I408 WeakPolarHBondContact O-CA 3.42Å; L382-I408 HydrophobicContact CB-CG1 4.34Å; L382-I408 HydrophobicContact CD2-CD1 3.8Å; L382-I408 HydrophobicContact CD2-CG1 4.42Å; L382-I408 HydrophobicContact CG-CD1 3.78Å; L382-I408 HydrophobicContact CG-CG1 3.98Å; L405-I408 HydrophobicContact CD1-CD1 4.32Å; L405-I408 HydrophobicContact CD1-CG1 3.86Å; L405-I408 HydrophobicContact CD2-CD1 3.94Å; L405-I408 HydrophobicContact CD2-CG1 3.96Å; L405-I408 HydrophobicContact CG-CG1 4.38Å |
| 409 | A | 92.8 | Very high | 84.3 | Confident | 49 Ų | 49 | 42.6 Ų | 42.6 | 41% | 0.405 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 137.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | F380 Q381 | F380-A409 CarbonylContact C-O 3.6Å; F380-A409 VanDerWaalsContact CA-O 3.31Å; F380-A409 WeakPolarHBondContact CA-O 3.49Å; Q381-A409 PolarHBondContact N-O 3.29Å; Q381-A409 PolarHBondContact O-N 2.86Å |
| 410 | E | 93.9 | Very high | 83.2 | Confident | 88 Ų | 88 | 50.5 Ų | 50.5 | 41% | 0.411 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 135.1 | 170.1 | -169.4 | 173.4 | 143.5 | 0 | 0 | 109.9 | K378 F380 | K378-E410 HydrophobicContact CD-CG 4.46Å; K378-E410 WeakPolarHBondContact CD-OE2 3.15Å; K378-E410 WeakPolarHBondContact CE-OE1 3.46Å; K378-E410 WeakPolarHBondContact CE-OE2 3.38Å; K378-E410 VanDerWaalsContact NZ-CD 3.28Å; K378-E410 IonicContact NZ-OE1 3.62Å; K378-E410 PolarHBondContact NZ-OE1 3.15Å; K378-E410 VanDerWaalsContact NZ-OE1 3.11Å; K378-E410 IonicContact NZ-OE2 2.69Å; K378-E410 PolarHBondContact NZ-OE2 3.03Å; F380-E410 HydrophobicContact CD1-CB 4.01Å; F380-E410 HydrophobicContact CE1-CB 3.79Å; F380-E410 HydrophobicContact CE1-CG 4.22Å; F380-E410 HydrophobicContact CZ-CG 4.49Å |
| 411 | R | 94.5 | Very high | 81.4 | Confident | 78 Ų | 78 | 55 Ų | 55 | 29% | 0.294 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | -34.5 | -175.7 | -70.4 | -57 | -57.7 | -179.9 | 0.9 | 114.4 | F343 L379 Q381 W495 T502 | F343-R411 HydrophobicContact CE1-CG 4.44Å; L379-R411 PolarHBondContact O-N 3.23Å; Q381-R411 HydrophobicContact CB-CG 3.59Å; R411-W495 HydrophobicContact CB-CH2 3.74Å; R411-W495 HydrophobicContact CB-CZ2 3.9Å; R411-W495 HydrophobicContact CG-CH2 4.12Å; R411-T502 VanDerWaalsContact O-CA 3.31Å; R411-T502 WeakPolarHBondContact O-CA 3.5Å; R411-T502 WeakPolarHBondContact O-CG2 3.36Å |
| 412 | L | 93.5 | Very high | 79.4 | Confident | 2 Ų | 2 | 59.8 Ų | 59.8 | 1% | 0.01 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 139.3 | -177.6 | 166.8 | 65.1 | 0 | 0 | 0 | 108 | W345 K378 L379 F490 W495 T502 Y503 I504 F510 | W345-L412 HydrophobicContact CH2-CD2 3.63Å; W345-L412 HydrophobicContact CH2-CG 3.85Å; W345-L412 HydrophobicContact CZ2-CD2 3.84Å; W345-L412 HydrophobicContact CZ2-CG 4.49Å; K378-L412 CarbonylContact C-O 3.58Å; K378-L412 WeakPolarHBondContact CA-O 3.12Å; L379-L412 HydrophobicContact CB-CB 3.99Å; L379-L412 HydrophobicContact CD2-CB 4.32Å; L379-L412 HydrophobicContact CD2-CD2 4.46Å; L379-L412 PolarHBondContact N-O 3.09Å; L412-F490 HydrophobicContact CD2-CD2 4.23Å; L412-F490 HydrophobicContact CD2-CE2 3.64Å; L412-W495 HydrophobicContact CB-CZ2 4.47Å; L412-T502 VanDerWaalsContact CD1-C 3.46Å; L412-T502 WeakPolarHBondContact CD1-O 3.46Å; L412-Y503 VanDerWaalsContact CD1-C 3.46Å; L412-Y503 VanDerWaalsContact CD1-CA 3.41Å; L412-I504 HydrophobicContact CD1-CG1 4.16Å; L412-F510 HydrophobicContact CD2-CE2 4.17Å |
| 413 | S | 89.1 | Confident | 77.3 | Confident | 45 Ų | 45 | 65.8 Ų | 65.8 | 32% | 0.315 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 143.5 | 177.3 | 177.4 | 0 | 0 | 0 | 0 | 109.5 | K378 | K378-S413 WeakPolarHBondContact CE-OG 3.2Å |
| 414 | T | 87.7 | Confident | 75.3 | Confident | 31 Ų | 31 | 71.9 Ų | 71.9 | 19% | 0.19 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 149.9 | 170 | -170.3 | 0 | 0 | 0 | 0 | 112 | T376 V377 L416 I504 | T376-T414 WeakPolarHBondContact CA-O 3.32Å; V377-T414 HydrophobicContact CG2-CG2 3.45Å; V377-T414 VanDerWaalsContact CG2-CG2 3.45Å; V377-T414 PolarHBondContact N-O 2.86Å; V377-T414 PolarHBondContact O-N 3.41Å; T414-L416 HydrophobicContact CG2-CD2 3.92Å; T414-I504 HydrophobicContact CG2-CD1 3.62Å |
| 415 | T | 86.7 | Confident | 73 | Confident | 85 Ų | 85 | 76 Ų | 76 | 52% | 0.521 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 118.4 | 172.3 | 52.7 | 0 | 0 | 0 | 0 | 108.4 | T376 S417 | T376-T415 HydrophobicContact CG2-CG2 3.95Å; T415-S417 PolarHBondContact O-N 3.42Å |
| 416 | L | 85.1 | Confident | 70.7 | Confident | 7 Ų | 7 | 79.7 Ų | 79.7 | 4% | 0.037 | 44% | 0.438 | C | S | . | . | trans | -82.4 | 54.5 | -178.3 | -58.1 | -179.4 | 0 | 0 | 0 | 110.6 | P375 V377 T414 S430 L432 F476 W478 | P375-L416 HydrophobicContact CG-CB 4.15Å; P375-L416 PolarHBondContact O-N 2.89Å; V377-L416 HydrophobicContact CG1-CD1 3.86Å; V377-L416 HydrophobicContact CG2-CD1 4.17Å; V377-L416 HydrophobicContact CG2-CD2 4.23Å; V377-L416 HydrophobicContact CG2-CG 4.25Å; T414-L416 HydrophobicContact CG2-CD2 3.92Å; L416-S430 WeakPolarHBondContact O-CB 3.34Å; L416-L432 HydrophobicContact CD1-CD1 3.87Å; L416-F476 HydrophobicContact CD1-CB 4.45Å; L416-W478 HydrophobicContact CB-CD2 4.13Å; L416-W478 HydrophobicContact CB-CG 4.2Å; L416-W478 HydrophobicContact CB-CZ2 4.37Å; L416-W478 HydrophobicContact CD1-CD2 4.26Å; L416-W478 HydrophobicContact CD1-CE3 4.23Å; L416-W478 HydrophobicContact CD1-CG 4.48Å; L416-W478 HydrophobicContact CD2-CD2 4.34Å; L416-W478 HydrophobicContact CD2-CE3 4.23Å; L416-W478 HydrophobicContact CD2-CH2 3.81Å; L416-W478 HydrophobicContact CD2-CZ2 3.91Å; L416-W478 HydrophobicContact CD2-CZ3 3.99Å; L416-W478 HydrophobicContact CG-CD2 4.48Å; L416-W478 PolarHBondContact O-NE1 2.86Å | ||
| 417 | S | 72.7 | Confident | 68.6 | Low | 42 Ų | 42 | 78.3 Ų | 78.3 | 29% | 0.294 | 43% | 0.429 | S | S | . | . | P | Polyproline II helix | trans | -76.3 | 153.5 | -175.9 | -56.9 | 0 | 0 | 0 | 0 | 112.6 | S374 T415 | S374-S417 WeakPolarHBondContact CB-OG 3.49Å; S374-S417 WeakPolarHBondContact OG-CB 3.44Å; S374-S417 PolarHBondContact OG-OG 2.87Å; T415-S417 PolarHBondContact O-N 3.42Å |
| 418 | G | 55.1 | Low | 66.9 | Low | 30 Ų | 30 | 82.1 Ų | 82.1 | 31% | 0.309 | 44% | 0.435 | S | S | . | . | P | Polyproline II helix | trans | -71 | 144 | 151.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 419 | D | 47.9 | Very low | 65.1 | Low | 81 Ų | 81 | 84 Ų | 84 | 43% | 0.433 | 45% | 0.448 | S | S | . | . | P | Polyproline II helix | trans | -62.8 | 145.3 | 164.9 | -76.4 | -57.7 | 0 | 0 | 0 | 109.6 | I421 F1967 | D419-I421 VanDerWaalsContact C-N 3.3Å; D419-I421 HydrophobicContact CB-CD1 4.35Å; D419-I421 HydrophobicContact CB-CG1 4.19Å; D419-I421 PolarHBondContact O-N 2.89Å; D419-F1967 WeakPolarHBondContact OD1-CE2 3.04Å; D419-F1967 VanDerWaalsContact OD1-CZ 3.3Å; D419-F1967 WeakPolarHBondContact OD1-CZ 3.33Å |
| 420 | K | 46.7 | Very low | 64.3 | Low | 181 Ų | 181 | 82 Ų | 82 | 79% | 0.787 | 43% | 0.43 | S | S | * | . | trans | -72.5 | 83.7 | 178.5 | -71.5 | -165.7 | 173 | -160.9 | 0 | 111 | ||||
| 421 | I | 42.4 | Very low | 63.7 | Low | 125 Ų | 125 | 82.8 Ų | 82.8 | 64% | 0.641 | 43% | 0.43 | S | S | * | . | trans | -102.9 | 107.9 | 176.7 | -57.8 | 174.1 | 0 | 0 | 0 | 108 | D419 | D419-I421 VanDerWaalsContact C-N 3.3Å; D419-I421 HydrophobicContact CB-CD1 4.35Å; D419-I421 HydrophobicContact CB-CG1 4.19Å; D419-I421 PolarHBondContact O-N 2.89Å | ||
| 422 | D | 43.4 | Very low | 63.3 | Low | 115 Ų | 115 | 79.3 Ų | 79.3 | 62% | 0.615 | 42% | 0.417 | S | S | * | . | trans | 58 | 110.1 | -179.5 | -59.3 | -31.5 | 0 | 0 | 0 | 117.3 | N424 K425 | D422-N424 PolarHBondContact O-N 2.92Å; D422-K425 PolarHBondContact O-N 3.43Å | ||
| 423 | D | 46.1 | Very low | 62.7 | Low | 135 Ų | 135 | 80.9 Ų | 80.9 | 72% | 0.722 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -3.9 | 171.5 | -67.4 | -52.6 | 0 | 0 | 0 | 114 | ||
| 424 | N | 45.3 | Very low | 62.3 | Low | 160 Ų | 160 | 79.7 Ų | 79.7 | 86% | 0.856 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | 4.5 | -176.5 | -71.5 | -22.9 | 0 | 0 | 0 | 114.5 | D422 | D422-N424 PolarHBondContact O-N 2.92Š|
| 425 | K | 41.6 | Very low | 62.1 | Low | 126 Ų | 126 | 79 Ų | 79 | 55% | 0.548 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -119.8 | 151.8 | 172.3 | -77.6 | -176.9 | 177.5 | 178.2 | 0 | 110.7 | D422 Q427 | D422-K425 PolarHBondContact O-N 3.43Å; K425-Q427 PolarHBondContact O-N 3.4Å |
| 426 | P | 44.9 | Very low | 62 | Low | 111 Ų | 111 | 76.2 Ų | 76.2 | 72% | 0.721 | 39% | 0.394 | S | S | * | . | trans | -55.6 | 129.2 | 171.8 | 24.7 | -33.9 | 0 | 0 | 0 | 109.2 | Y428 | P426-Y428 PolarHBondContact O-N 3.35Š| ||
| 427 | Q | 48 | Very low | 61.8 | Low | 93 Ų | 93 | 77.4 Ų | 77.4 | 44% | 0.435 | 40% | 0.403 | S | S | . | . | trans | -65.1 | 110.9 | -173 | -73.9 | -177.2 | -2.8 | 0 | 0 | 110 | F372 K425 T429 | F372-Q427 HydrophobicContact CD2-CB 4.25Å; F372-Q427 HydrophobicContact CE2-CB 4.39Å; K425-Q427 PolarHBondContact O-N 3.4Å; Q427-T429 PolarHBondContact O-N 2.98Å | ||
| 428 | Y | 53.4 | Low | 61.9 | Low | 112 Ų | 112 | 75.5 Ų | 75.5 | 44% | 0.439 | 39% | 0.389 | S | S | . | . | trans | -54.5 | 115.5 | -179.7 | -68.8 | -77.6 | 0 | 0 | 0 | 110.3 | P426 S430 E482 | P426-Y428 PolarHBondContact O-N 3.35Å; Y428-S430 VanDerWaalsContact C-N 3.28Å; Y428-S430 PolarHBondContact O-N 3.48Å; Y428-E482 HydrophobicContact CD1-CG 4.34Å; Y428-E482 HydrophobicContact CE1-CG 4.17Å | ||
| 429 | T | 57.6 | Low | 62.4 | Low | 68 Ų | 68 | 76.5 Ų | 76.5 | 42% | 0.417 | 39% | 0.385 | S | S | . | . | trans | -73.9 | 84.8 | 178.7 | 39.3 | 0 | 0 | 0 | 0 | 109.7 | F372 Q427 R431 | F372-T429 HydrophobicContact CD1-CG2 3.65Å; F372-T429 HydrophobicContact CE1-CG2 3.65Å; Q427-T429 PolarHBondContact O-N 2.98Å; T429-R431 PolarHBondContact O-N 2.66Å | ||
| 430 | S | 74.5 | Confident | 62.5 | Low | 6 Ų | 6 | 73.7 Ų | 73.7 | 4% | 0.042 | 37% | 0.374 | C | S | . | . | trans | -44.5 | 126.4 | 169.5 | 52.6 | 0 | 0 | 0 | 0 | 109.7 | S350 P375 L416 Y428 K479 | S350-S430 WeakPolarHBondContact CB-O 3.46Å; S350-S430 PolarHBondContact OG-O 3.2Å; P375-S430 VanDerWaalsContact CD-O 3.22Å; P375-S430 WeakPolarHBondContact CD-O 3.3Å; P375-S430 WeakPolarHBondContact CD-OG 3.31Å; P375-S430 WeakPolarHBondContact CG-O 3.22Å; L416-S430 WeakPolarHBondContact O-CB 3.34Å; Y428-S430 VanDerWaalsContact C-N 3.28Å; Y428-S430 PolarHBondContact O-N 3.48Å; S430-K479 VanDerWaalsContact CA-O 3.3Å; S430-K479 WeakPolarHBondContact CA-O 3.21Å | ||
| 431 | R | 82.1 | Confident | 62.2 | Low | 106 Ų | 106 | 67.3 Ų | 67.3 | 40% | 0.4 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 122.5 | -173.2 | 177.7 | 177.3 | 170.1 | 163.8 | -3.8 | 110.1 | T429 L433 W478 K479 | T429-R431 PolarHBondContact O-N 2.66Å; R431-L433 HydrophobicContact CG-CD2 4.34Å; R431-L433 PolarHBondContact O-N 3.09Å; R431-W478 CarbonylContact O-C 3.58Å; R431-W478 WeakPolarHBondContact O-CA 3.37Å; R431-W478 WeakPolarHBondContact O-CB 3.34Å; R431-K479 HydrophobicContact CB-CB 4.42Å; R431-K479 PolarHBondContact N-O 2.93Å; R431-K479 VanDerWaalsContact N-O 3.12Å; R431-K479 PolarHBondContact O-N 3.07Å |
| 432 | L | 85.2 | Confident | 62 | Low | 4 Ų | 4 | 63.4 Ų | 63.4 | 2% | 0.021 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 123.6 | 169.1 | -175.9 | 57.4 | 0 | 0 | 0 | 108.4 | V327 Q349 P375 V377 L416 V435 W478 | V327-L432 HydrophobicContact CG2-CD2 4.01Å; Q349-L432 PolarHBondContact NE2-O 3.33Å; P375-L432 HydrophobicContact CB-CB 3.96Å; P375-L432 HydrophobicContact CG-CB 4.4Å; V377-L432 HydrophobicContact CG1-CD2 3.97Å; L416-L432 HydrophobicContact CD1-CD1 3.87Å; L432-V435 HydrophobicContact CD1-CG2 3.84Å; L432-V435 HydrophobicContact CD2-CG2 4.04Å; L432-V435 HydrophobicContact CG-CG2 4.3Å; L432-W478 HydrophobicContact CD1-CB 4.35Å |
| 433 | L | 80.9 | Confident | 61.7 | Low | 35 Ų | 35 | 61.8 Ų | 61.8 | 18% | 0.183 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | -53.5 | -178 | -61.1 | 174.7 | 0 | 0 | 0 | 110.1 | R431 I477 K479 I485 | R431-L433 HydrophobicContact CG-CD2 4.34Å; R431-L433 PolarHBondContact O-N 3.09Å; L433-I477 WeakPolarHBondContact CB-O 3.48Å; L433-I477 PolarHBondContact N-O 2.84Å; L433-K479 HydrophobicContact CD1-CB 4.15Å; L433-K479 HydrophobicContact CD2-CB 4.31Å; L433-K479 HydrophobicContact CG-CB 4.28Å; L433-I485 HydrophobicContact CD1-CD1 3.27Å; L433-I485 HydrophobicContact CD1-CG1 3.72Å |
| 434 | S | 81.7 | Confident | 61.1 | Low | 21 Ų | 21 | 63.8 Ų | 63.8 | 15% | 0.147 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 161.1 | 176.8 | 65.1 | 0 | 0 | 0 | 0 | 110.9 | I477 | S434-I477 PolarHBondContact N-O 3.03Å; S434-I477 PolarHBondContact O-N 3.27Å |
| 435 | V | 83.6 | Confident | 60.3 | Low | 16 Ų | 16 | 61.2 Ų | 61.2 | 10% | 0.097 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 127.5 | 163 | -175.2 | 0 | 0 | 0 | 0 | 106.1 | S328 N330 L432 I474 A475 F476 | S328-V435 WeakPolarHBondContact OG-CG2 3.35Å; N330-V435 HydrophobicContact CB-CG1 4.2Å; N330-V435 PolarHBondContact ND2-O 3.24Å; N330-V435 PolarHBondContact OD1-O 2.72Å; L432-V435 HydrophobicContact CD1-CG2 3.84Å; L432-V435 HydrophobicContact CD2-CG2 4.04Å; L432-V435 HydrophobicContact CG-CG2 4.3Å; V435-I474 HydrophobicContact CG1-CD1 3.45Å; V435-I474 VanDerWaalsContact CG1-CD1 3.45Å; V435-I474 HydrophobicContact CG1-CG1 3.67Å; V435-A475 CarbonylContact C-O 3.58Å; V435-A475 VanDerWaalsContact CA-O 3.3Å; V435-A475 WeakPolarHBondContact CA-O 3.32Å; V435-F476 HydrophobicContact CG1-CD1 3.67Å; V435-F476 HydrophobicContact CG1-CE1 3.98Å; V435-F476 HydrophobicContact CG2-CD1 4.05Å |
| 436 | Q | 84.4 | Confident | 59.6 | Low | 27 Ų | 27 | 63.2 Ų | 63.2 | 13% | 0.126 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 114.2 | -169.8 | -51.9 | -168.8 | -66.5 | 0 | 0 | 110.9 | N330 I474 A475 I477 Y529 | N330-Q436 WeakPolarHBondContact OD1-CA 3.3Å; N330-Q436 PolarHBondContact OD1-N 2.72Å; Q436-I474 CarbonylContact O-C 3.58Å; Q436-I474 VanDerWaalsContact O-CA 3.31Å; Q436-I474 WeakPolarHBondContact O-CA 3.18Å; Q436-I474 WeakPolarHBondContact O-CG1 3.42Å; Q436-A475 HydrophobicContact CB-CB 4.45Å; Q436-A475 PolarHBondContact N-O 2.99Å; Q436-A475 PolarHBondContact O-N 2.78Å; Q436-I477 HydrophobicContact CG-CD1 4.42Å; Q436-I477 VanDerWaalsContact OE1-CD1 3.27Å; Q436-Y529 VanDerWaalsContact NE2-CE2 3.25Å |
| 437 | S | 80.3 | Confident | 58.8 | Low | 32 Ų | 32 | 63.5 Ų | 63.5 | 22% | 0.224 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 138.4 | 166.5 | -79.7 | 0 | 0 | 0 | 0 | 109.4 | N330 F331 | N330-S437 PolarHBondContact OD1-N 3.33Å; N330-S437 PolarHBondContact OD1-OG 2.83Å; F331-S437 PolarHBondContact O-OG 3.49Å |
| 438 | L | 75.3 | Confident | 58 | Low | 2 Ų | 2 | 65.4 Ų | 65.4 | 1% | 0.01 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 122.2 | -178 | -58.2 | 173.7 | 0 | 0 | 0 | 110.5 | L473 A475 L489 L530 E532 L535 | L438-L473 HydrophobicContact CB-CB 4.01Å; L438-L473 PolarHBondContact N-O 3.22Å; L438-A475 HydrophobicContact CD1-CB 4.3Å; L438-L489 HydrophobicContact CD1-CD2 3.69Å; L438-L530 HydrophobicContact CD1-CD1 4.27Å; L438-L530 HydrophobicContact CD1-CD2 4.11Å; L438-L530 HydrophobicContact CD2-CD2 4.03Å; L438-E532 WeakPolarHBondContact CA-OE1 3.27Å; L438-E532 HydrophobicContact CD2-CB 4.09Å; L438-E532 HydrophobicContact CD2-CG 4.13Å; L438-L535 HydrophobicContact CB-CD2 4.29Å; L438-L535 HydrophobicContact CD1-CD2 4.18Å |
| 439 | H | 65.2 | Low | 56.8 | Low | 50 Ų | 50 | 67.7 Ų | 67.7 | 23% | 0.231 | 36% | 0.362 | C | S | . | . | trans | -72.8 | 143.2 | 171.7 | -58 | 81.4 | 0 | 0 | 0 | 109.8 | S467 G469 E532 | H439-S467 PolarHBondContact CD2-O 2.95Å; H439-G469 PolarHBondContact CD2-O 2.82Å; H439-E532 IonicContact CE1-OE1 2.73Å; H439-E532 IonicContact CG-OE1 2.79Å; H439-E532 PolarHBondContact N-OE1 2.9Å; H439-E532 IonicContact ND1-OE1 3.63Å; H439-E532 PolarHBondContact ND1-OE1 2.88Å; H439-E532 IonicContact ND1-OE2 3.54Å | ||
| 440 | A | 50.7 | Low | 55.5 | Low | 23 Ų | 23 | 71.4 Ų | 71.4 | 19% | 0.19 | 38% | 0.379 | C | S | . | . | trans | -77.7 | 136.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | G442 | A440-G442 PolarHBondContact O-N 2.75Š| ||
| 441 | P | 40.1 | Very low | 53.2 | Low | 46 Ų | 46 | 78.9 Ų | 78.9 | 30% | 0.299 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | 7.5 | 179 | -17.4 | 27.1 | 0 | 0 | 0 | 116.1 | L535 M536 | P441-L535 WeakPolarHBondContact CG-O 3.22Å; P441-M536 HydrophobicContact CB-CE 4.11Å |
| 442 | G | 38 | Very low | 50.7 | Low | 43 Ų | 43 | 82.4 Ų | 82.4 | 44% | 0.443 | 44% | 0.44 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -26.8 | -170.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | A440 F444 | A440-G442 PolarHBondContact O-N 2.75Å; G442-F444 VanDerWaalsContact C-N 3.26Å; G442-F444 PolarHBondContact O-N 3.45Å |
| 443 | D | 36.9 | Very low | 48 | Very low | 82 Ų | 82 | 89.4 Ų | 89.4 | 44% | 0.439 | 47% | 0.472 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -9.9 | -169.3 | -59.4 | -35.5 | 0 | 0 | 0 | 112.9 | I445 | D443-I445 PolarHBondContact O-N 3.3Š|
| 444 | F | 32.6 | Very low | 45.6 | Very low | 177 Ų | 177 | 93.5 Ų | 93.5 | 78% | 0.776 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | 13.4 | 171.9 | -73.5 | -76.8 | 0 | 0 | 0 | 115 | G442 | G442-F444 VanDerWaalsContact C-N 3.26Å; G442-F444 PolarHBondContact O-N 3.45Å |
| 445 | I | 28.4 | Very low | 43 | Very low | 106 Ų | 106 | 98.7 Ų | 98.7 | 54% | 0.544 | 53% | 0.527 | S | S | . | . | trans | -123.3 | 96.2 | -177.9 | -50.1 | -179.2 | 0 | 0 | 0 | 110.7 | D443 | D443-I445 PolarHBondContact O-N 3.3Š| ||
| 446 | M | 27 | Very low | 40.3 | Very low | 167 Ų | 167 | 106.5 Ų | 106.5 | 82% | 0.823 | 56% | 0.562 | S | S | * | * | S | Bend | trans | 174.3 | 21.9 | 131.3 | -88.9 | -47.4 | 167.9 | 0 | 0 | 115.3 | ||
| 447 | D | 28.7 | Very low | 37.6 | Very low | 117 Ų | 117 | 112 Ų | 112 | 63% | 0.626 | 60% | 0.597 | S | S | * | * | trans | -105.5 | 87 | 167.9 | -91.5 | -43.1 | 0 | 0 | 0 | 111.7 | K396 | K396-D447 WeakPolarHBondContact CD-OD2 3.32Å; K396-D447 WeakPolarHBondContact CE-OD2 3.46Å; K396-D447 IonicContact NZ-OD1 3.19Å; K396-D447 PolarHBondContact NZ-OD1 3.05Å; K396-D447 IonicContact NZ-OD2 2.73Å; K396-D447 PolarHBondContact NZ-OD2 2.96Å | ||
| 448 | N | 30.5 | Very low | 35.1 | Very low | 134 Ų | 134 | 116.8 Ų | 116.8 | 72% | 0.717 | 63% | 0.626 | S | S | * | * | trans | -149.9 | 38.2 | 164.6 | -137 | -24.4 | 0 | 0 | 0 | 112.9 | ||||
| 449 | N | 28.7 | Very low | 32.7 | Very low | 159 Ų | 159 | 123.3 Ų | 123.3 | 85% | 0.85 | 66% | 0.66 | S | S | * | * | trans | -110.3 | 50.4 | 173.4 | -82 | -5.5 | 0 | 0 | 0 | 110.8 | ||||
| 450 | N | 29.8 | Very low | 30.8 | Very low | 146 Ų | 146 | 129 Ų | 129 | 78% | 0.781 | 69% | 0.692 | S | S | * | * | trans | -123.6 | 75.7 | 171.7 | -94.7 | -14.3 | 0 | 0 | 0 | 110.2 | H452 | N450-H452 PolarHBondContact O-N 3.26Š| ||
| 451 | N | 27.6 | Very low | 29.7 | Very low | 163 Ų | 163 | 132.4 Ų | 132.4 | 87% | 0.872 | 71% | 0.711 | S | S | * | * | trans | -70.7 | 77.5 | 164.3 | -78.9 | -3.4 | 0 | 0 | 0 | 109.3 | ||||
| 452 | H | 29.1 | Very low | 29.1 | Very low | 180 Ų | 180 | 135.9 Ų | 135.9 | 83% | 0.833 | 73% | 0.732 | S | S | * | * | trans | -136.3 | 118.3 | 168.8 | -103.9 | 47.9 | 0 | 0 | 0 | 111.1 | N450 | N450-H452 PolarHBondContact O-N 3.26Š| ||
| 453 | H | 29.1 | Very low | 28.6 | Very low | 151 Ų | 151 | 139.7 Ų | 139.7 | 70% | 0.699 | 74% | 0.741 | S | S | * | * | trans | 11.6 | 121.9 | 166.6 | -124.2 | -69.7 | 0 | 0 | 0 | 119.5 | N455 | H453-N455 PolarHBondContact O-N 2.81Š| ||
| 454 | P | 29.6 | Very low | 28.3 | Very low | 122 Ų | 122 | 140.4 Ų | 140.4 | 79% | 0.792 | 74% | 0.744 | S | S | * | * | trans | -68.2 | 116.4 | 155 | 30.3 | -30.6 | 0 | 0 | 0 | 108.2 | ||||
| 455 | N | 27.6 | Very low | 28.2 | Very low | 130 Ų | 130 | 134.9 Ų | 134.9 | 70% | 0.695 | 72% | 0.722 | S | S | * | * | trans | -159.7 | 140.5 | 164.1 | -105.2 | -31.8 | 0 | 0 | 0 | 110.3 | H453 | H453-N455 PolarHBondContact O-N 2.81Š| ||
| 456 | H | 26.8 | Very low | 28.6 | Very low | 179 Ų | 179 | 134.3 Ų | 134.3 | 83% | 0.829 | 72% | 0.717 | S | S | * | * | trans | -20.5 | 120 | -177.8 | -77.7 | -107.2 | 0 | 0 | 0 | 118.3 | ||||
| 457 | T | 28.2 | Very low | 29 | Very low | 142 Ų | 142 | 127.3 Ų | 127.3 | 87% | 0.871 | 68% | 0.684 | S | S | * | * | -166.8 | 153.2 | 110.8 | 15.6 | 0 | 0 | 0 | 0 | 112.1 | N459 | T457-N459 PolarHBondContact O-N 3.06Š| |||
| 458 | T | 26.5 | Very low | 30 | Very low | 133 Ų | 133 | 123.7 Ų | 123.7 | 82% | 0.816 | 67% | 0.666 | S | S | * | * | trans | -80.4 | 111.1 | -179.9 | 47 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 459 | N | 26.5 | Very low | 30.5 | Very low | 139 Ų | 139 | 117.6 Ų | 117.6 | 74% | 0.743 | 64% | 0.636 | S | S | * | * | trans | -160.7 | 82.6 | 156.4 | -98.8 | -32.7 | 0 | 0 | 0 | 110.6 | T457 T461 | T457-N459 PolarHBondContact O-N 3.06Å; N459-T461 PolarHBondContact O-N 3.1Å | ||
| 460 | N | 25.3 | Very low | 31.7 | Very low | 169 Ų | 169 | 111.3 Ų | 111.3 | 90% | 0.904 | 60% | 0.601 | S | S | * | * | trans | -75.5 | 62.8 | 168.2 | -79.9 | -0 | 0 | 0 | 0 | 110.4 | T462 | N460-T462 VanDerWaalsContact C-N 3.31Å; N460-T462 PolarHBondContact O-N 3.34Å | ||
| 461 | T | 26.8 | Very low | 33.3 | Very low | 95 Ų | 95 | 105.1 Ų | 105.1 | 58% | 0.583 | 57% | 0.568 | S | S | * | * | trans | -69.4 | 93.6 | 162 | 45.8 | 0 | 0 | 0 | 0 | 108.2 | N459 I463 | N459-T461 PolarHBondContact O-N 3.1Å; T461-I463 VanDerWaalsContact C-N 3.33Å; T461-I463 PolarHBondContact O-N 2.66Å | ||
| 462 | T | 26.6 | Very low | 35.7 | Very low | 119 Ų | 119 | 100.2 Ų | 100.2 | 73% | 0.73 | 54% | 0.537 | S | S | * | . | trans | -61.6 | 97.7 | 163.1 | 50.7 | 0 | 0 | 0 | 0 | 108 | N460 I464 | N460-T462 VanDerWaalsContact C-N 3.31Å; N460-T462 PolarHBondContact O-N 3.34Å; T462-I464 VanDerWaalsContact C-N 3.34Å; T462-I464 PolarHBondContact O-N 3.04Å | ||
| 463 | I | 29.3 | Very low | 38.5 | Very low | 123 Ų | 123 | 92.3 Ų | 92.3 | 63% | 0.631 | 50% | 0.501 | S | S | * | . | trans | -70.5 | 92.9 | -179 | -59.6 | 179.4 | 0 | 0 | 0 | 107.7 | T461 N465 | T461-I463 VanDerWaalsContact C-N 3.33Å; T461-I463 PolarHBondContact O-N 2.66Å; I463-N465 HydrophobicContact CG2-CB 4.07Å; I463-N465 WeakPolarHBondContact CG2-OD1 3.05Å; I463-N465 PolarHBondContact O-N 2.86Å | ||
| 464 | I | 28.9 | Very low | 41.3 | Very low | 98 Ų | 98 | 85.1 Ų | 85.1 | 50% | 0.503 | 47% | 0.468 | S | S | . | . | trans | -75.2 | 70.4 | 168.4 | -53.2 | 177.2 | 0 | 0 | 0 | 107 | T462 H466 | T462-I464 VanDerWaalsContact C-N 3.34Å; T462-I464 PolarHBondContact O-N 3.04Å; I464-H466 PolarHBondContact O-N 3.28Å | ||
| 465 | N | 32 | Very low | 44.2 | Very low | 61 Ų | 61 | 79.3 Ų | 79.3 | 33% | 0.326 | 43% | 0.43 | S | S | . | . | trans | -68 | 114.1 | 170.6 | -91.9 | -8.1 | 0 | 0 | 0 | 107.8 | K394 H395 I463 S467 | K394-N465 PolarHBondContact O-ND2 2.99Å; H395-N465 PolarHBondContact CE1-OD1 2.77Å; H395-N465 PolarHBondContact ND1-ND2 3.24Å; H395-N465 PolarHBondContact ND1-OD1 2.83Å; H395-N465 VanDerWaalsContact ND1-OD1 3.08Å; I463-N465 HydrophobicContact CG2-CB 4.07Å; I463-N465 WeakPolarHBondContact CG2-OD1 3.05Å; I463-N465 PolarHBondContact O-N 2.86Å; N465-S467 PolarHBondContact O-N 2.85Å | ||
| 466 | H | 36.3 | Very low | 47.2 | Very low | 94 Ų | 94 | 73.3 Ų | 73.3 | 44% | 0.435 | 40% | 0.398 | S | S | . | . | trans | -71.2 | 76.2 | 151.1 | -74.1 | -87.4 | 0 | 0 | 0 | 107.4 | N93 I464 V468 | N93-H466 PolarHBondContact ND2-CD2 3.38Å; N93-H466 PolarHBondContact ND2-NE2 2.75Å; I464-H466 PolarHBondContact O-N 3.28Å; H466-V468 PolarHBondContact O-N 3.1Å | ||
| 467 | S | 36.1 | Very low | 50.2 | Low | 19 Ų | 19 | 64.8 Ų | 64.8 | 13% | 0.133 | 36% | 0.358 | C | S | . | . | trans | -55.5 | 125.7 | 163.2 | 31.3 | 0 | 0 | 0 | 0 | 107.9 | E397 H439 N465 G469 | E397-S467 WeakPolarHBondContact OE1-CB 3.49Å; E397-S467 VanDerWaalsContact OE2-CA 3.27Å; E397-S467 WeakPolarHBondContact OE2-CA 3.35Å; E397-S467 WeakPolarHBondContact OE2-CB 3.41Å; H439-S467 PolarHBondContact CD2-O 2.95Å; N465-S467 PolarHBondContact O-N 2.85Å; S467-G469 PolarHBondContact O-N 2.82Å | ||
| 468 | V | 47.8 | Very low | 53.1 | Low | 41 Ų | 41 | 58.6 Ų | 58.6 | 25% | 0.248 | 32% | 0.319 | C | S | . | . | trans | -83.7 | 48 | 176.5 | -166.9 | 0 | 0 | 0 | 0 | 108.3 | Q290 H466 | Q290-V468 HydrophobicContact CG-CG1 4.34Å; Q290-V468 VanDerWaalsContact NE2-CG1 3.35Å; H466-V468 PolarHBondContact O-N 3.1Å | ||
| 469 | G | 42.3 | Very low | 55.8 | Low | 7 Ų | 7 | 54 Ų | 54 | 7% | 0.072 | 29% | 0.288 | C | S | . | . | trans | -62.8 | 157.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | H439 S467 I471 | H439-G469 PolarHBondContact CD2-O 2.82Å; S467-G469 PolarHBondContact O-N 2.82Å; G469-I471 PolarHBondContact O-N 2.98Å | ||
| 470 | M | 53.6 | Low | 58.3 | Low | 27 Ų | 27 | 48.7 Ų | 48.7 | 13% | 0.133 | 26% | 0.258 | C | S | . | . | trans | -68.7 | 103.1 | -168.8 | -59.9 | -172.7 | 87.6 | 0 | 0 | 111.2 | E333 P334 F400 R472 | E333-M470 HydrophobicContact CB-CE 4.37Å; E333-M470 VanDerWaalsContact CD-CE 3.49Å; E333-M470 HydrophobicContact CG-CE 3.72Å; E333-M470 VanDerWaalsContact OE1-CE 3.31Å; E333-M470 WeakPolarHBondContact OE1-CE 3.42Å; P334-M470 WeakPolarHBondContact O-CE 3.3Å; F400-M470 HydrophobicContact CD2-CE 4.01Å; F400-M470 HydrophobicContact CE2-CE 3.8Å; F400-M470 HydrophobicContact CE2-CG 4.23Å; F400-M470 HydrophobicContact CE2-SD 3.87Å; M470-R472 HydrophobicContact CB-CG 4.44Å; M470-R472 WeakPolarHBondContact O-CD 3.32Å; M470-R472 WeakPolarHBondContact O-CG 3.42Å; M470-R472 PolarHBondContact O-N 3.3Å; M470-R472 PolarHBondContact SD-NH2 3.35Å | ||
| 471 | I | 63.3 | Low | 60.7 | Low | 16 Ų | 16 | 41.6 Ų | 41.6 | 8% | 0.082 | 22% | 0.222 | C | C | . | . | trans | -68.5 | 101.3 | 179.1 | -48.5 | 178.5 | 0 | 0 | 0 | 108.8 | L332 E333 G469 | L332-I471 CarbonylContact C-O 3.56Å; L332-I471 VanDerWaalsContact CA-O 3.27Å; L332-I471 WeakPolarHBondContact CA-O 3.44Å; L332-I471 HydrophobicContact CD2-CG2 3.86Å; L332-I471 VanDerWaalsContact CD2-O 3.26Å; L332-I471 WeakPolarHBondContact CD2-O 3.16Å; E333-I471 PolarHBondContact N-O 2.92Å; G469-I471 PolarHBondContact O-N 2.98Å | ||
| 472 | R | 78.6 | Confident | 62.8 | Low | 59 Ų | 59 | 42.4 Ų | 42.4 | 22% | 0.223 | 22% | 0.219 | C | C | . | . | trans | -111.5 | -18.3 | -178.7 | -64.9 | 148.8 | -176.9 | 171 | 6.9 | 112.9 | E333 S335 M470 L492 D493 | E333-R472 VanDerWaalsContact O-CG 3.24Å; E333-R472 WeakPolarHBondContact O-CG 3.35Å; S335-R472 PolarHBondContact OG-NE 3.5Å; S335-R472 PolarHBondContact OG-NH1 2.89Å; S335-R472 PolarHBondContact OG-NH2 3.43Å; M470-R472 HydrophobicContact CB-CG 4.44Å; M470-R472 WeakPolarHBondContact O-CD 3.32Å; M470-R472 WeakPolarHBondContact O-CG 3.42Å; M470-R472 PolarHBondContact O-N 3.3Å; M470-R472 PolarHBondContact SD-NH2 3.35Å; R472-L492 WeakPolarHBondContact O-CB 3.47Å; R472-L492 PolarHBondContact O-N 2.79Å; R472-D493 VanDerWaalsContact CD-OD2 3.26Å; R472-D493 WeakPolarHBondContact CD-OD2 3.15Å; R472-D493 IonicContact NE-OD2 3.48Å | ||
| 473 | L | 86.4 | Confident | 65.1 | Low | 15 Ų | 15 | 38.2 Ų | 38.2 | 8% | 0.079 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 145.9 | -175.5 | -76.8 | 149.9 | 0 | 0 | 0 | 110.1 | L438 F490 D491 L535 L586 | L438-L473 HydrophobicContact CB-CB 4.01Å; L438-L473 PolarHBondContact N-O 3.22Å; L473-F490 WeakPolarHBondContact CA-O 3.3Å; L473-D491 HydrophobicContact CD2-CB 3.76Å; L473-L535 HydrophobicContact CD1-CD2 4.12Å; L473-L586 HydrophobicContact CD2-CD1 3.99Å |
| 474 | I | 89.4 | Confident | 67.5 | Low | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 138.9 | -179.9 | -166.9 | 177.5 | 0 | 0 | 0 | 110.3 | N330 L332 W345 V435 Q436 F476 L489 F490 | N330-I474 HydrophobicContact CB-CD1 3.48Å; N330-I474 VanDerWaalsContact CB-CD1 3.48Å; N330-I474 HydrophobicContact CB-CG1 4.38Å; L332-I474 HydrophobicContact CD1-CG2 4.26Å; L332-I474 HydrophobicContact CD2-CB 4.28Å; W345-I474 HydrophobicContact CB-CD1 3.91Å; W345-I474 HydrophobicContact CG-CD1 3.81Å; V435-I474 HydrophobicContact CG1-CD1 3.45Å; V435-I474 VanDerWaalsContact CG1-CD1 3.45Å; V435-I474 HydrophobicContact CG1-CG1 3.67Å; Q436-I474 CarbonylContact O-C 3.58Å; Q436-I474 VanDerWaalsContact O-CA 3.31Å; Q436-I474 WeakPolarHBondContact O-CA 3.18Å; Q436-I474 WeakPolarHBondContact O-CG1 3.42Å; I474-F476 HydrophobicContact CD1-CE1 4.07Å; I474-F476 HydrophobicContact CG2-CE1 4.32Å; I474-F476 HydrophobicContact CG2-CE2 4.4Å; I474-F476 HydrophobicContact CG2-CZ 3.88Å; I474-L489 CarbonylContact O-C 3.51Å; I474-L489 WeakPolarHBondContact O-CA 3.48Å; I474-F490 HydrophobicContact CG2-CB 3.68Å; I474-F490 HydrophobicContact CG2-CD1 3.71Å; I474-F490 HydrophobicContact CG2-CG 4.12Å; I474-F490 PolarHBondContact N-O 2.92Å; I474-F490 PolarHBondContact O-N 2.83Å |
| 475 | A | 89.8 | Confident | 70.1 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 120.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | V435 Q436 L438 I477 I487 G488 L489 L530 | V435-A475 CarbonylContact C-O 3.58Å; V435-A475 VanDerWaalsContact CA-O 3.3Å; V435-A475 WeakPolarHBondContact CA-O 3.32Å; Q436-A475 HydrophobicContact CB-CB 4.45Å; Q436-A475 PolarHBondContact N-O 2.99Å; Q436-A475 PolarHBondContact O-N 2.78Å; L438-A475 HydrophobicContact CD1-CB 4.3Å; A475-I477 HydrophobicContact CB-CG1 4.3Å; A475-I487 HydrophobicContact CB-CG2 4.35Å; A475-G488 WeakPolarHBondContact CA-O 3.35Å; A475-L489 HydrophobicContact CB-CD2 3.81Å; A475-L530 HydrophobicContact CB-CD1 4Å |
| 476 | F | 90.9 | Very high | 72.8 | Confident | 3 Ų | 3 | 28.1 Ų | 28.1 | 1% | 0.013 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 122 | 161.8 | -43 | -70.9 | 0 | 0 | 0 | 108.2 | W345 V377 L416 V435 I474 W478 I487 G488 F490 | W345-F476 HydrophobicContact CB-CE1 4.49Å; W345-F476 AromaticContact CD2-CE1 3.71Å; W345-F476 HydrophobicContact CD2-CE1 3.71Å; W345-F476 AromaticContact CD2-CZ 3.67Å; W345-F476 HydrophobicContact CD2-CZ 3.67Å; W345-F476 AromaticContact CE2-CZ 3.48Å; W345-F476 VanDerWaalsContact CE2-CZ 3.48Å; W345-F476 AromaticContact CE3-CE1 3.94Å; W345-F476 HydrophobicContact CE3-CE1 3.94Å; W345-F476 AromaticContact CE3-CZ 3.99Å; W345-F476 HydrophobicContact CE3-CZ 3.99Å; W345-F476 AromaticContact CG-CE1 3.97Å; W345-F476 HydrophobicContact CG-CE1 3.97Å; W345-F476 HydrophobicContact CG-CZ 4.22Å; W345-F476 AromaticContact CH2-CZ 3.96Å; W345-F476 HydrophobicContact CH2-CZ 3.96Å; W345-F476 HydrophobicContact CZ2-CE1 4.49Å; W345-F476 HydrophobicContact CZ2-CE2 4.41Å; W345-F476 AromaticContact CZ2-CZ 3.64Å; W345-F476 HydrophobicContact CZ2-CZ 3.64Å; W345-F476 HydrophobicContact CZ3-CE1 4.42Å; W345-F476 HydrophobicContact CZ3-CZ 4.14Å; W345-F476 AromaticContact NE1-CZ 3.87Å; V377-F476 HydrophobicContact CB-CD1 4.43Å; V377-F476 HydrophobicContact CB-CE1 4.38Å; V377-F476 HydrophobicContact CG1-CD1 4.22Å; V377-F476 HydrophobicContact CG2-CD1 4.08Å; V377-F476 HydrophobicContact CG2-CE1 4.07Å; V377-F476 HydrophobicContact CG2-CG 4.47Å; V377-F476 HydrophobicContact CG2-CZ 4.45Å; L416-F476 HydrophobicContact CD1-CB 4.45Å; V435-F476 HydrophobicContact CG1-CD1 3.67Å; V435-F476 HydrophobicContact CG1-CE1 3.98Å; V435-F476 HydrophobicContact CG2-CD1 4.05Å; I474-F476 HydrophobicContact CD1-CE1 4.07Å; I474-F476 HydrophobicContact CG2-CE1 4.32Å; I474-F476 HydrophobicContact CG2-CE2 4.4Å; I474-F476 HydrophobicContact CG2-CZ 3.88Å; F476-W478 HydrophobicContact CB-CE3 4.15Å; F476-W478 HydrophobicContact CB-CZ3 4.06Å; F476-I487 CarbonylContact O-C 3.46Å; F476-I487 WeakPolarHBondContact O-CA 3.44Å; F476-G488 VanDerWaalsContact CD2-O 3.31Å; F476-G488 WeakPolarHBondContact CD2-O 3.47Å; F476-G488 PolarHBondContact N-O 2.88Å; F476-G488 PolarHBondContact O-N 2.88Å; F476-F490 HydrophobicContact CE2-CB 3.74Å; F476-F490 HydrophobicContact CZ-CB 4.12Å |
| 477 | I | 89.2 | Confident | 75.3 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 114.3 | 180 | -54.1 | -173.8 | 0 | 0 | 0 | 108.4 | L433 S434 Q436 A475 I485 I487 T528 L530 | L433-I477 WeakPolarHBondContact CB-O 3.48Å; L433-I477 PolarHBondContact N-O 2.84Å; S434-I477 PolarHBondContact N-O 3.03Å; S434-I477 PolarHBondContact O-N 3.27Å; Q436-I477 HydrophobicContact CG-CD1 4.42Å; Q436-I477 VanDerWaalsContact OE1-CD1 3.27Å; A475-I477 HydrophobicContact CB-CG1 4.3Å; I477-I485 HydrophobicContact CG2-CG2 3.75Å; I477-I487 HydrophobicContact CG1-CG1 4.38Å; I477-I487 HydrophobicContact CG1-CG2 4.43Å; I477-I487 HydrophobicContact CG2-CG1 4.47Å; I477-T528 HydrophobicContact CD1-CG2 4.45Å; I477-T528 HydrophobicContact CG2-CG2 4.13Å; I477-L530 HydrophobicContact CD1-CB 4.43Å |
| 478 | W | 88.6 | Confident | 77.9 | Confident | 12 Ų | 12 | 22.8 Ų | 22.8 | 5% | 0.045 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 146.5 | -179.4 | 73.6 | 105.7 | 0 | 0 | 0 | 112.8 | L416 R431 L432 F476 F480 I485 R486 | L416-W478 HydrophobicContact CB-CD2 4.13Å; L416-W478 HydrophobicContact CB-CG 4.2Å; L416-W478 HydrophobicContact CB-CZ2 4.37Å; L416-W478 HydrophobicContact CD1-CD2 4.26Å; L416-W478 HydrophobicContact CD1-CE3 4.23Å; L416-W478 HydrophobicContact CD1-CG 4.48Å; L416-W478 HydrophobicContact CD2-CD2 4.34Å; L416-W478 HydrophobicContact CD2-CE3 4.23Å; L416-W478 HydrophobicContact CD2-CH2 3.81Å; L416-W478 HydrophobicContact CD2-CZ2 3.91Å; L416-W478 HydrophobicContact CD2-CZ3 3.99Å; L416-W478 HydrophobicContact CG-CD2 4.48Å; L416-W478 PolarHBondContact O-NE1 2.86Å; R431-W478 CarbonylContact O-C 3.58Å; R431-W478 WeakPolarHBondContact O-CA 3.37Å; R431-W478 WeakPolarHBondContact O-CB 3.34Å; L432-W478 HydrophobicContact CD1-CB 4.35Å; F476-W478 HydrophobicContact CB-CE3 4.15Å; F476-W478 HydrophobicContact CB-CZ3 4.06Å; W478-F480 PolarHBondContact O-N 3.1Å; W478-I485 WeakPolarHBondContact O-CA 3.44Å; W478-R486 HydrophobicContact CD2-CB 4.02Å; W478-R486 HydrophobicContact CD2-CG 4.25Å; W478-R486 HydrophobicContact CE3-CB 4.34Å; W478-R486 HydrophobicContact CE3-CG 4.32Å; W478-R486 VanDerWaalsContact CE3-O 3.3Å; W478-R486 HydrophobicContact CH2-CB 4.42Å; W478-R486 HydrophobicContact CH2-CG 3.6Å; W478-R486 HydrophobicContact CZ2-CB 4.1Å; W478-R486 HydrophobicContact CZ2-CG 3.5Å; W478-R486 HydrophobicContact CZ3-CG 4Å; W478-R486 PolarHBondContact N-O 2.95Å; W478-R486 PolarHBondContact O-N 3.1Å |
| 479 | K | 83.7 | Confident | 79.9 | Confident | 36 Ų | 36 | 20.8 Ų | 20.8 | 16% | 0.157 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 117 | 170.2 | -167.9 | 161.4 | -178.1 | 168.8 | 0 | 108 | S430 R431 L433 S481 E482 I485 L525 | S430-K479 VanDerWaalsContact CA-O 3.3Å; S430-K479 WeakPolarHBondContact CA-O 3.21Å; R431-K479 HydrophobicContact CB-CB 4.42Å; R431-K479 PolarHBondContact N-O 2.93Å; R431-K479 VanDerWaalsContact N-O 3.12Å; R431-K479 PolarHBondContact O-N 3.07Å; L433-K479 HydrophobicContact CD1-CB 4.15Å; L433-K479 HydrophobicContact CD2-CB 4.31Å; L433-K479 HydrophobicContact CG-CB 4.28Å; K479-S481 WeakPolarHBondContact CE-O 3.35Å; K479-S481 WeakPolarHBondContact CG-O 3.28Å; K479-E482 VanDerWaalsContact CE-CA 3.43Å; K479-E482 VanDerWaalsContact CE-O 3.31Å; K479-E482 WeakPolarHBondContact CE-O 3.5Å; K479-E482 PolarHBondContact NZ-O 2.88Å; K479-I485 HydrophobicContact CB-CG1 4.5Å; K479-L525 PolarHBondContact NZ-O 2.72Å |
| 480 | F | 78.9 | Confident | 82.3 | Confident | 28 Ų | 28 | 20.5 Ų | 20.5 | 12% | 0.123 | 10% | 0.097 | C | C | . | . | trans | -91.1 | -40.7 | 179.6 | 179 | -89.2 | 0 | 0 | 0 | 110.8 | W478 I484 R486 | W478-F480 PolarHBondContact O-N 3.1Å; F480-I484 HydrophobicContact CB-CB 4.41Å; F480-I484 HydrophobicContact CB-CG2 4.16Å; F480-I484 HydrophobicContact CD1-CB 4.41Å; F480-I484 HydrophobicContact CD1-CD1 4.43Å; F480-I484 HydrophobicContact CD1-CG2 4.32Å; F480-I484 PolarHBondContact N-O 2.83Å; F480-R486 HydrophobicContact CB-CB 4.17Å | ||
| 481 | S | 75.2 | Confident | 84.1 | Confident | 20 Ų | 20 | 20.1 Ų | 20.1 | 14% | 0.14 | 10% | 0.096 | C | C | . | . | S | Bend | trans | -145.4 | -175.2 | 170.2 | 73 | 0 | 0 | 0 | 0 | 109.7 | K479 S483 I484 | K479-S481 WeakPolarHBondContact CE-O 3.35Å; K479-S481 WeakPolarHBondContact CG-O 3.28Å; S481-S483 VanDerWaalsContact C-N 3.26Å; S481-S483 PolarHBondContact O-N 3.5Å; S481-I484 PolarHBondContact N-O 3.01Å; S481-I484 WeakPolarHBondContact OG-CB 3.08Å; S481-I484 WeakPolarHBondContact OG-CG1 3.33Å; S481-I484 PolarHBondContact OG-N 2.97Å |
| 482 | E | 70.8 | Confident | 85.5 | Confident | 113 Ų | 113 | 19.4 Ų | 19.4 | 53% | 0.528 | 9% | 0.092 | S | C | . | . | S | Bend | trans | -61.8 | -32.7 | -176.8 | -68.3 | -176.3 | 123 | 0 | 0 | 114.2 | Y428 K479 L525 | Y428-E482 HydrophobicContact CD1-CG 4.34Å; Y428-E482 HydrophobicContact CE1-CG 4.17Å; K479-E482 VanDerWaalsContact CE-CA 3.43Å; K479-E482 VanDerWaalsContact CE-O 3.31Å; K479-E482 WeakPolarHBondContact CE-O 3.5Å; K479-E482 PolarHBondContact NZ-O 2.88Å; E482-L525 WeakPolarHBondContact O-CB 3.38Å; E482-L525 PolarHBondContact O-N 3.04Å |
| 483 | S | 75.6 | Confident | 86 | Confident | 30 Ų | 30 | 18.1 Ų | 18.1 | 21% | 0.21 | 9% | 0.09 | C | C | . | . | S | Bend | trans | -112.5 | 1.2 | -177.9 | 57.1 | 0 | 0 | 0 | 0 | 115 | S481 I518 | S481-S483 VanDerWaalsContact C-N 3.26Å; S481-S483 PolarHBondContact O-N 3.5Å; S483-I518 PolarHBondContact O-N 3.29Å |
| 484 | I | 79.1 | Confident | 86.2 | Confident | 30 Ų | 30 | 19.4 Ų | 19.4 | 15% | 0.154 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 121.8 | 179.9 | -54.4 | 175.4 | 0 | 0 | 0 | 110.5 | F480 S481 D515 L517 | F480-I484 HydrophobicContact CB-CB 4.41Å; F480-I484 HydrophobicContact CB-CG2 4.16Å; F480-I484 HydrophobicContact CD1-CB 4.41Å; F480-I484 HydrophobicContact CD1-CD1 4.43Å; F480-I484 HydrophobicContact CD1-CG2 4.32Å; F480-I484 PolarHBondContact N-O 2.83Å; S481-I484 PolarHBondContact N-O 3.01Å; S481-I484 WeakPolarHBondContact OG-CB 3.08Å; S481-I484 WeakPolarHBondContact OG-CG1 3.33Å; S481-I484 PolarHBondContact OG-N 2.97Å; I484-D515 HydrophobicContact CG2-CB 4.2Å; I484-L517 HydrophobicContact CD1-CD2 3.8Å; I484-L517 HydrophobicContact CG1-CD2 3.71Å; I484-L517 HydrophobicContact CG1-CG 4.28Å |
| 485 | I | 84.6 | Confident | 86.4 | Confident | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 142.4 | 159.9 | -87 | 170.7 | 0 | 0 | 0 | 109.4 | L433 I477 W478 K479 I487 A516 L525 T528 | L433-I485 HydrophobicContact CD1-CD1 3.27Å; L433-I485 HydrophobicContact CD1-CG1 3.72Å; I477-I485 HydrophobicContact CG2-CG2 3.75Å; W478-I485 WeakPolarHBondContact O-CA 3.44Å; K479-I485 HydrophobicContact CB-CG1 4.5Å; I485-I487 HydrophobicContact CG2-CG1 4.19Å; I485-A516 HydrophobicContact CB-CB 4.25Å; I485-A516 HydrophobicContact CG2-CB 4.3Å; I485-A516 PolarHBondContact N-O 2.81Å; I485-A516 VanDerWaalsContact N-O 3.15Å; I485-A516 PolarHBondContact O-N 2.66Å; I485-L525 HydrophobicContact CB-CD1 4.13Å; I485-L525 HydrophobicContact CD1-CD1 3.9Å; I485-L525 HydrophobicContact CD1-CD2 3.48Å; I485-L525 VanDerWaalsContact CD1-CD2 3.48Å; I485-L525 HydrophobicContact CD1-CG 4.21Å; I485-L525 HydrophobicContact CG1-CD1 3.94Å; I485-L525 HydrophobicContact CG1-CD2 4.4Å; I485-T528 WeakPolarHBondContact CD1-OG1 3.38Å; I485-T528 HydrophobicContact CG2-CG2 4.3Å |
| 486 | R | 87.9 | Confident | 86.4 | Confident | 40 Ų | 40 | 21.2 Ų | 21.2 | 15% | 0.151 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 134.2 | 175.9 | -177.2 | 165.6 | -77.8 | -178.5 | 1.1 | 109.1 | W478 F480 I513 F514 D515 | W478-R486 HydrophobicContact CD2-CB 4.02Å; W478-R486 HydrophobicContact CD2-CG 4.25Å; W478-R486 HydrophobicContact CE3-CB 4.34Å; W478-R486 HydrophobicContact CE3-CG 4.32Å; W478-R486 VanDerWaalsContact CE3-O 3.3Å; W478-R486 HydrophobicContact CH2-CB 4.42Å; W478-R486 HydrophobicContact CH2-CG 3.6Å; W478-R486 HydrophobicContact CZ2-CB 4.1Å; W478-R486 HydrophobicContact CZ2-CG 3.5Å; W478-R486 HydrophobicContact CZ3-CG 4Å; W478-R486 PolarHBondContact N-O 2.95Å; W478-R486 PolarHBondContact O-N 3.1Å; F480-R486 HydrophobicContact CB-CB 4.17Å; R486-I513 HydrophobicContact CG-CG2 3.54Å; R486-F514 WeakPolarHBondContact CA-O 3.45Å; R486-D515 VanDerWaalsContact CG-OD1 3.29Å; R486-D515 WeakPolarHBondContact CG-OD1 3.46Å; R486-D515 IonicContact CZ-OD1 3.17Å; R486-D515 IonicContact CZ-OD2 2.78Å; R486-D515 IonicContact NE-OD1 3.49Å; R486-D515 PolarHBondContact NE-OD1 2.75Å; R486-D515 IonicContact NE-OD2 3.99Å; R486-D515 IonicContact NH2-OD1 3.86Å; R486-D515 PolarHBondContact NH2-OD1 2.83Å; R486-D515 IonicContact NH2-OD2 2.66Å; R486-D515 PolarHBondContact NH2-OD2 3.05Å |
| 487 | I | 89.5 | Confident | 86.4 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 122.9 | 179.9 | -56.5 | 174.7 | 0 | 0 | 0 | 107.3 | A475 F476 I477 I485 I513 F514 T528 L530 F588 C590 F640 | A475-I487 HydrophobicContact CB-CG2 4.35Å; F476-I487 CarbonylContact O-C 3.46Å; F476-I487 WeakPolarHBondContact O-CA 3.44Å; I477-I487 HydrophobicContact CG1-CG1 4.38Å; I477-I487 HydrophobicContact CG1-CG2 4.43Å; I477-I487 HydrophobicContact CG2-CG1 4.47Å; I485-I487 HydrophobicContact CG2-CG1 4.19Å; I487-I513 WeakPolarHBondContact O-CA 3.3Å; I487-F514 HydrophobicContact CB-CD2 4.5Å; I487-F514 HydrophobicContact CG2-CD2 4.46Å; I487-F514 PolarHBondContact N-O 3.42Å; I487-F514 WeakPolarHBondContact O-CD2 3.31Å; I487-F514 PolarHBondContact O-N 3.22Å; I487-T528 HydrophobicContact CD1-CG2 4.5Å; I487-L530 HydrophobicContact CG2-CD1 4.4Å; I487-F588 HydrophobicContact CD1-CE2 4.3Å; I487-C590 HydrophobicContact CD1-CB 4.31Å; I487-C590 VanDerWaalsContact CD1-SG 3.52Å; I487-F640 HydrophobicContact CD1-CE2 3.79Å; I487-F640 HydrophobicContact CD1-CZ 4.07Å |
| 488 | G | 90.4 | Very high | 86.5 | Confident | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.01 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 110.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | A475 F476 S512 | A475-G488 WeakPolarHBondContact CA-O 3.35Å; F476-G488 VanDerWaalsContact CD2-O 3.31Å; F476-G488 WeakPolarHBondContact CD2-O 3.47Å; F476-G488 PolarHBondContact N-O 2.88Å; F476-G488 PolarHBondContact O-N 2.88Å; G488-S512 CarbonylContact C-O 3.5Å; G488-S512 WeakPolarHBondContact CA-O 3.43Å |
| 489 | L | 91 | Very high | 86.6 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 123.9 | 169.5 | -72.2 | 177.7 | 0 | 0 | 0 | 109.5 | L438 I474 A475 V511 S512 F514 L530 L535 P583 L586 F588 | L438-L489 HydrophobicContact CD1-CD2 3.69Å; I474-L489 CarbonylContact O-C 3.51Å; I474-L489 WeakPolarHBondContact O-CA 3.48Å; A475-L489 HydrophobicContact CB-CD2 3.81Å; L489-V511 CarbonylContact O-C 3.54Å; L489-V511 WeakPolarHBondContact O-CA 3.03Å; L489-S512 PolarHBondContact N-O 2.99Å; L489-S512 PolarHBondContact O-N 2.99Å; L489-F514 HydrophobicContact CB-CE2 4Å; L489-F514 HydrophobicContact CD1-CE2 3.75Å; L489-F514 HydrophobicContact CD1-CZ 4.26Å; L489-F514 HydrophobicContact CG-CE2 3.82Å; L489-L530 HydrophobicContact CD2-CD1 4.09Å; L489-L535 HydrophobicContact CD1-CD1 4.34Å; L489-P583 HydrophobicContact CB-CB 4.13Å; L489-L586 HydrophobicContact CD1-CD1 4.14Å; L489-F588 HydrophobicContact CD1-CD1 4.03Å; L489-F588 HydrophobicContact CD1-CE1 3.62Å; L489-F588 HydrophobicContact CD1-CZ 4.22Å |
| 490 | F | 92.7 | Very high | 87 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 138.8 | 169 | 166.2 | -81.1 | 0 | 0 | 0 | 109.8 | L332 W345 L379 L412 L473 I474 F476 L492 W495 F510 V511 | L332-F490 HydrophobicContact CD1-CD1 4.13Å; L332-F490 HydrophobicContact CD1-CE1 3.86Å; W345-F490 HydrophobicContact CZ2-CD1 4.29Å; W345-F490 AromaticContact CZ2-CD2 3.83Å; W345-F490 HydrophobicContact CZ2-CD2 3.83Å; W345-F490 HydrophobicContact CZ2-CE1 4.31Å; W345-F490 AromaticContact CZ2-CE2 3.87Å; W345-F490 HydrophobicContact CZ2-CE2 3.87Å; W345-F490 HydrophobicContact CZ2-CG 4.06Å; W345-F490 HydrophobicContact CZ2-CZ 4.12Å; W345-F490 AromaticContact NE1-CD1 3.69Å; W345-F490 AromaticContact NE1-CE1 3.74Å; L379-F490 HydrophobicContact CD2-CE1 4.47Å; L379-F490 HydrophobicContact CD2-CE2 4.45Å; L379-F490 HydrophobicContact CD2-CZ 3.79Å; L412-F490 HydrophobicContact CD2-CD2 4.23Å; L412-F490 HydrophobicContact CD2-CE2 3.64Å; L473-F490 WeakPolarHBondContact CA-O 3.3Å; I474-F490 HydrophobicContact CG2-CB 3.68Å; I474-F490 HydrophobicContact CG2-CD1 3.71Å; I474-F490 HydrophobicContact CG2-CG 4.12Å; I474-F490 PolarHBondContact N-O 2.92Å; I474-F490 PolarHBondContact O-N 2.83Å; F476-F490 HydrophobicContact CE2-CB 3.74Å; F476-F490 HydrophobicContact CZ-CB 4.12Å; F490-L492 HydrophobicContact CE1-CB 3.96Å; F490-L492 HydrophobicContact CE1-CD1 3.97Å; F490-L492 HydrophobicContact CZ-CD1 4.05Å; F490-W495 HydrophobicContact CE2-CB 3.74Å; F490-W495 AromaticContact CE2-CD1 3.91Å; F490-W495 HydrophobicContact CE2-CD2 4.46Å; F490-W495 AromaticContact CE2-CG 3.75Å; F490-W495 HydrophobicContact CE2-CG 3.75Å; F490-W495 HydrophobicContact CZ-CB 3.64Å; F490-W495 HydrophobicContact CZ-CD2 4.14Å; F490-W495 AromaticContact CZ-CG 3.75Å; F490-W495 HydrophobicContact CZ-CG 3.75Å; F490-F510 WeakPolarHBondContact CA-O 3.31Å; F490-F510 AromaticContact CD2-CD2 3.89Å; F490-F510 HydrophobicContact CD2-CD2 3.89Å; F490-F510 HydrophobicContact CD2-CE2 4.32Å; F490-F510 AromaticContact CE2-CD2 3.8Å; F490-F510 HydrophobicContact CE2-CD2 3.8Å; F490-F510 HydrophobicContact CE2-CE2 4.16Å; F490-V511 HydrophobicContact CB-CG2 4.08Å; F490-V511 HydrophobicContact CD2-CG2 3.75Å; F490-V511 HydrophobicContact CG-CG2 4.4Å |
| 491 | D | 90.9 | Very high | 87.6 | Confident | 20 Ų | 20 | 31 Ų | 31 | 11% | 0.107 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 119.2 | 175.5 | 179.3 | -40.1 | 0 | 0 | 0 | 109.3 | L473 D493 R494 W495 F510 P583 | L473-D491 HydrophobicContact CD2-CB 3.76Å; D491-D493 WeakPolarHBondContact OD1-CA 3.43Å; D491-D493 PolarHBondContact OD1-N 2.86Å; D491-R494 HydrophobicContact CB-CB 3.96Å; D491-R494 HydrophobicContact CB-CG 3.89Å; D491-R494 PolarHBondContact O-N 3.31Å; D491-R494 PolarHBondContact OD1-N 2.84Å; D491-W495 WeakPolarHBondContact O-CB 3.28Å; D491-W495 PolarHBondContact O-N 3.36Å; D491-F510 PolarHBondContact N-O 3.1Å; D491-P583 HydrophobicContact CB-CG 3.86Å |
| 492 | L | 92.3 | Very high | 88.3 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -67.1 | -38.1 | -177.3 | -174.6 | 64.3 | 0 | 0 | 0 | 112.4 | L332 P334 F343 R472 F490 W495 Y496 | L332-L492 HydrophobicContact CB-CD2 3.89Å; L332-L492 HydrophobicContact CD1-CB 4.46Å; P334-L492 HydrophobicContact CB-CD2 3.85Å; P334-L492 HydrophobicContact CB-CG 4.37Å; P334-L492 HydrophobicContact CG-CD2 4.42Å; F343-L492 HydrophobicContact CD1-CD1 4.48Å; F343-L492 HydrophobicContact CD2-CD1 3.94Å; F343-L492 HydrophobicContact CD2-CD2 3.6Å; F343-L492 HydrophobicContact CD2-CG 4.4Å; F343-L492 HydrophobicContact CE2-CD1 4.19Å; F343-L492 HydrophobicContact CE2-CD2 4.09Å; F343-L492 HydrophobicContact CG-CD1 4.14Å; F343-L492 HydrophobicContact CG-CD2 4.35Å; R472-L492 WeakPolarHBondContact O-CB 3.47Å; R472-L492 PolarHBondContact O-N 2.79Å; F490-L492 HydrophobicContact CE1-CB 3.96Å; F490-L492 HydrophobicContact CE1-CD1 3.97Å; F490-L492 HydrophobicContact CZ-CD1 4.05Å; L492-W495 HydrophobicContact CD1-CE3 3.73Å; L492-W495 HydrophobicContact CD1-CZ3 4.21Å; L492-W495 WeakPolarHBondContact O-CB 3.11Å; L492-W495 PolarHBondContact O-N 2.83Å; L492-Y496 HydrophobicContact CD1-CD2 4.26Å; L492-Y496 HydrophobicContact CD1-CE2 4.1Å; L492-Y496 HydrophobicContact CG-CD2 4.22Å; L492-Y496 HydrophobicContact CG-CE2 4.16Å; L492-Y496 VanDerWaalsContact O-CD2 3.31Å; L492-Y496 WeakPolarHBondContact O-CD2 3.35Å; L492-Y496 PolarHBondContact O-N 2.83Å |
| 493 | D | 89.3 | Confident | 89.1 | Confident | 32 Ų | 32 | 35.9 Ų | 35.9 | 17% | 0.171 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -73.1 | -34.3 | -179.5 | -71 | -22.9 | 0 | 0 | 0 | 111 | S335 R472 D491 W495 Y496 H497 | S335-D493 WeakPolarHBondContact CB-OD1 3.48Å; S335-D493 VanDerWaalsContact CB-OD2 3.29Å; S335-D493 WeakPolarHBondContact CB-OD2 3.42Å; S335-D493 PolarHBondContact N-OD1 3.27Å; S335-D493 PolarHBondContact OG-OD2 2.84Å; R472-D493 VanDerWaalsContact CD-OD2 3.26Å; R472-D493 WeakPolarHBondContact CD-OD2 3.15Å; R472-D493 IonicContact NE-OD2 3.48Å; D491-D493 WeakPolarHBondContact OD1-CA 3.43Å; D491-D493 PolarHBondContact OD1-N 2.86Å; D493-W495 VanDerWaalsContact C-N 3.35Å; D493-Y496 WeakPolarHBondContact O-CB 3.31Å; D493-Y496 PolarHBondContact O-N 3.13Å; D493-H497 WeakPolarHBondContact O-CB 3.38Å; D493-H497 PolarHBondContact O-N 3.16Å |
| 494 | R | 89.8 | Confident | 89.5 | Confident | 43 Ų | 43 | 36.8 Ų | 36.8 | 16% | 0.162 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -66.1 | -36.6 | 167.6 | -66.6 | -55.9 | 116.7 | -155.4 | -6.1 | 112 | D491 H497 A498 T509 F510 L581 | D491-R494 HydrophobicContact CB-CB 3.96Å; D491-R494 HydrophobicContact CB-CG 3.89Å; D491-R494 PolarHBondContact O-N 3.31Å; D491-R494 PolarHBondContact OD1-N 2.84Å; R494-H497 WeakPolarHBondContact O-CB 3.12Å; R494-H497 PolarHBondContact O-N 2.85Å; R494-A498 VanDerWaalsContact O-CB 3.32Å; R494-A498 WeakPolarHBondContact O-CB 3.29Å; R494-A498 PolarHBondContact O-N 3.15Å; R494-T509 WeakPolarHBondContact CB-O 3.46Å; R494-F510 HydrophobicContact CB-CB 3.58Å; R494-L581 WeakPolarHBondContact CD-O 3.3Å; R494-L581 WeakPolarHBondContact CG-O 3.34Å; R494-L581 VanDerWaalsContact CZ-CB 3.49Å; R494-L581 PolarHBondContact NE-O 2.91Å; R494-L581 VanDerWaalsContact NE-O 3.1Å |
| 495 | W | 93.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -67.3 | -36.7 | 175.6 | 179.9 | 76.1 | 0 | 0 | 0 | 111.9 | F343 L379 R411 L412 F490 D491 L492 D493 M500 P501 F510 | F343-W495 HydrophobicContact CD1-CZ3 4.44Å; F343-W495 HydrophobicContact CE1-CH2 4.03Å; F343-W495 AromaticContact CE1-CZ3 3.65Å; F343-W495 HydrophobicContact CE1-CZ3 3.65Å; F343-W495 AromaticContact CZ-CZ3 3.94Å; F343-W495 HydrophobicContact CZ-CZ3 3.94Å; L379-W495 HydrophobicContact CD2-CD2 4.36Å; L379-W495 HydrophobicContact CD2-CE3 4.32Å; L379-W495 HydrophobicContact CD2-CH2 4.15Å; L379-W495 HydrophobicContact CD2-CZ2 4.2Å; L379-W495 HydrophobicContact CD2-CZ3 4.21Å; R411-W495 HydrophobicContact CB-CH2 3.74Å; R411-W495 HydrophobicContact CB-CZ2 3.9Å; R411-W495 HydrophobicContact CG-CH2 4.12Å; L412-W495 HydrophobicContact CB-CZ2 4.47Å; F490-W495 HydrophobicContact CE2-CB 3.74Å; F490-W495 AromaticContact CE2-CD1 3.91Å; F490-W495 HydrophobicContact CE2-CD2 4.46Å; F490-W495 AromaticContact CE2-CG 3.75Å; F490-W495 HydrophobicContact CE2-CG 3.75Å; F490-W495 HydrophobicContact CZ-CB 3.64Å; F490-W495 HydrophobicContact CZ-CD2 4.14Å; F490-W495 AromaticContact CZ-CG 3.75Å; F490-W495 HydrophobicContact CZ-CG 3.75Å; D491-W495 WeakPolarHBondContact O-CB 3.28Å; D491-W495 PolarHBondContact O-N 3.36Å; L492-W495 HydrophobicContact CD1-CE3 3.73Å; L492-W495 HydrophobicContact CD1-CZ3 4.21Å; L492-W495 WeakPolarHBondContact O-CB 3.11Å; L492-W495 PolarHBondContact O-N 2.83Å; D493-W495 VanDerWaalsContact C-N 3.35Å; W495-M500 HydrophobicContact CD2-CB 4.39Å; W495-M500 HydrophobicContact CD2-CG 4.49Å; W495-M500 HydrophobicContact CE3-CB 4.37Å; W495-M500 HydrophobicContact CE3-CG 4.05Å; W495-M500 HydrophobicContact CH2-CB 3.71Å; W495-M500 HydrophobicContact CH2-CG 3.89Å; W495-M500 HydrophobicContact CH2-SD 4.26Å; W495-M500 HydrophobicContact CZ2-CB 3.7Å; W495-M500 HydrophobicContact CZ2-CG 4.32Å; W495-M500 HydrophobicContact CZ3-CB 4.05Å; W495-M500 HydrophobicContact CZ3-CG 3.73Å; W495-M500 HydrophobicContact CZ3-SD 4.18Å; W495-M500 WeakPolarHBondContact O-CA 3.29Å; W495-M500 PolarHBondContact O-N 3.49Å; W495-P501 PolarHBondContact NE1-O 2.67Å; W495-F510 HydrophobicContact CB-CB 4.09Å; W495-F510 HydrophobicContact CB-CD2 3.92Å; W495-F510 HydrophobicContact CB-CG 4.1Å; W495-F510 AromaticContact CD1-CD2 3.59Å; W495-F510 AromaticContact CD1-CE2 3.53Å; W495-F510 HydrophobicContact CG-CD2 4.13Å; W495-F510 HydrophobicContact CG-CE2 4.46Å |
| 496 | Y | 91.7 | Very high | 89.3 | Confident | 37 Ų | 37 | 45.2 Ų | 45.2 | 15% | 0.145 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59 | -50.8 | 166 | -91.8 | -121.1 | 0 | 0 | 0 | 110.9 | P334 D336 D337 F343 L492 D493 A498 Q499 M500 | P334-Y496 HydrophobicContact CB-CD2 4.46Å; P334-Y496 HydrophobicContact CB-CE1 4.21Å; P334-Y496 HydrophobicContact CB-CE2 3.88Å; P334-Y496 HydrophobicContact CG-CE2 4.45Å; D336-Y496 WeakPolarHBondContact O-CE1 3.46Å; D337-Y496 HydrophobicContact CB-CE1 4.17Å; D337-Y496 PolarHBondContact OD2-OH 2.84Å; F343-Y496 AromaticContact CE2-CE2 3.66Å; F343-Y496 HydrophobicContact CE2-CE2 3.66Å; F343-Y496 AromaticContact CE2-CZ 3.88Å; F343-Y496 WeakPolarHBondContact CE2-OH 3.36Å; F343-Y496 AromaticContact CZ-CE2 3.65Å; F343-Y496 HydrophobicContact CZ-CE2 3.65Å; F343-Y496 AromaticContact CZ-CZ 3.9Å; F343-Y496 VanDerWaalsContact CZ-OH 3.26Å; F343-Y496 WeakPolarHBondContact CZ-OH 3.35Å; L492-Y496 HydrophobicContact CD1-CD2 4.26Å; L492-Y496 HydrophobicContact CD1-CE2 4.1Å; L492-Y496 HydrophobicContact CG-CD2 4.22Å; L492-Y496 HydrophobicContact CG-CE2 4.16Å; L492-Y496 VanDerWaalsContact O-CD2 3.31Å; L492-Y496 WeakPolarHBondContact O-CD2 3.35Å; L492-Y496 PolarHBondContact O-N 2.83Å; D493-Y496 WeakPolarHBondContact O-CB 3.31Å; D493-Y496 PolarHBondContact O-N 3.13Å; Y496-A498 VanDerWaalsContact C-N 3.32Å; Y496-A498 PolarHBondContact O-N 2.96Å; Y496-Q499 PolarHBondContact O-N 2.92Å; Y496-M500 HydrophobicContact CD1-CE 3.58Å; Y496-M500 HydrophobicContact CD2-CE 3.93Å; Y496-M500 HydrophobicContact CE1-CE 3.32Å; Y496-M500 HydrophobicContact CE2-CE 3.71Å; Y496-M500 HydrophobicContact CG-CE 3.86Å |
| 497 | H | 89.5 | Confident | 88.8 | Confident | 97 Ų | 97 | 46.2 Ų | 46.2 | 45% | 0.449 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -56.8 | -44.3 | 179.3 | -157.9 | -104.4 | 0 | 0 | 0 | 112.4 | D493 R494 Q499 E578 | D493-H497 WeakPolarHBondContact O-CB 3.38Å; D493-H497 PolarHBondContact O-N 3.16Å; R494-H497 WeakPolarHBondContact O-CB 3.12Å; R494-H497 PolarHBondContact O-N 2.85Å; H497-Q499 PolarHBondContact O-N 3.06Å; H497-Q499 PolarHBondContact O-NE2 3.42Å; H497-E578 IonicContact CE1-OE1 2.63Å; H497-E578 PolarHBondContact CE1-OE1 2.7Å; H497-E578 IonicContact CE1-OE2 3.68Å; H497-E578 PolarHBondContact CE1-OE2 3.2Å; H497-E578 VanDerWaalsContact CE1-OE2 3.3Å; H497-E578 VanDerWaalsContact ND1-CD 3.34Å; H497-E578 IonicContact ND1-OE1 2.63Å; H497-E578 PolarHBondContact ND1-OE1 3.17Å; H497-E578 IonicContact ND1-OE2 2.74Å |
| 498 | A | 90.8 | Very high | 88.1 | Confident | 13 Ų | 13 | 49.9 Ų | 49.9 | 11% | 0.107 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | 5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | R494 Y496 P501 R505 F510 | R494-A498 VanDerWaalsContact O-CB 3.32Å; R494-A498 WeakPolarHBondContact O-CB 3.29Å; R494-A498 PolarHBondContact O-N 3.15Å; Y496-A498 VanDerWaalsContact C-N 3.32Å; Y496-A498 PolarHBondContact O-N 2.96Å; A498-P501 HydrophobicContact CB-CG 4.24Å; A498-R505 PolarHBondContact O-NH2 2.76Å; A498-F510 HydrophobicContact CB-CD1 3.8Å; A498-F510 HydrophobicContact CB-CE1 4.41Å |
| 499 | Q | 92.5 | Very high | 87.7 | Confident | 122 Ų | 122 | 50.8 Ų | 50.8 | 57% | 0.57 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.4 | 40.9 | -178.6 | -51.4 | -58.2 | -65.3 | 0 | 0 | 114.5 | Y496 H497 | Y496-Q499 PolarHBondContact O-N 2.92Å; H497-Q499 PolarHBondContact O-N 3.06Å; H497-Q499 PolarHBondContact O-NE2 3.42Å |
| 500 | M | 91.6 | Very high | 87.6 | Confident | 41 Ų | 41 | 50.9 Ų | 50.9 | 20% | 0.202 | 26% | 0.259 | C | S | . | . | trans | 49.9 | 50.8 | 174.7 | -58.2 | -177 | -179.1 | 0 | 0 | 115.2 | W495 Y496 | W495-M500 HydrophobicContact CD2-CB 4.39Å; W495-M500 HydrophobicContact CD2-CG 4.49Å; W495-M500 HydrophobicContact CE3-CB 4.37Å; W495-M500 HydrophobicContact CE3-CG 4.05Å; W495-M500 HydrophobicContact CH2-CB 3.71Å; W495-M500 HydrophobicContact CH2-CG 3.89Å; W495-M500 HydrophobicContact CH2-SD 4.26Å; W495-M500 HydrophobicContact CZ2-CB 3.7Å; W495-M500 HydrophobicContact CZ2-CG 4.32Å; W495-M500 HydrophobicContact CZ3-CB 4.05Å; W495-M500 HydrophobicContact CZ3-CG 3.73Å; W495-M500 HydrophobicContact CZ3-SD 4.18Å; W495-M500 WeakPolarHBondContact O-CA 3.29Å; W495-M500 PolarHBondContact O-N 3.49Å; Y496-M500 HydrophobicContact CD1-CE 3.58Å; Y496-M500 HydrophobicContact CD2-CE 3.93Å; Y496-M500 HydrophobicContact CE1-CE 3.32Å; Y496-M500 HydrophobicContact CE2-CE 3.71Å; Y496-M500 HydrophobicContact CG-CE 3.86Å | ||
| 501 | P | 91.2 | Very high | 87.5 | Confident | 11 Ų | 11 | 51.1 Ų | 51.1 | 7% | 0.071 | 26% | 0.261 | C | S | . | . | trans | -62.9 | 141.4 | -177.2 | 26.6 | -35.2 | 0 | 0 | 0 | 112.6 | W495 A498 Y503 F510 | W495-P501 PolarHBondContact NE1-O 2.67Å; A498-P501 HydrophobicContact CB-CG 4.24Å; P501-Y503 VanDerWaalsContact C-N 3.28Å; P501-Y503 PolarHBondContact O-N 2.05Å; P501-F510 HydrophobicContact CB-CE1 4.5Å; P501-F510 HydrophobicContact CG-CD1 4.13Å; P501-F510 HydrophobicContact CG-CE1 3.38Å; P501-F510 HydrophobicContact CG-CE2 4.43Å; P501-F510 HydrophobicContact CG-CZ 3.56Å | ||
| 502 | T | 89.6 | Confident | 87.4 | Confident | 93 Ų | 93 | 50.2 Ų | 50.2 | 57% | 0.571 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -83.4 | 1.4 | -174.6 | 59.2 | 0 | 0 | 0 | 0 | 114.9 | R411 L412 | R411-T502 VanDerWaalsContact O-CA 3.31Å; R411-T502 WeakPolarHBondContact O-CA 3.5Å; R411-T502 WeakPolarHBondContact O-CG2 3.36Å; L412-T502 VanDerWaalsContact CD1-C 3.46Å; L412-T502 WeakPolarHBondContact CD1-O 3.46Å |
| 503 | Y | 87.3 | Confident | 87.2 | Confident | 143 Ų | 143 | 53.9 Ų | 53.9 | 56% | 0.561 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -142.8 | 152.6 | 178 | 64.2 | -83.2 | 0 | 0 | 0 | 109.9 | L412 P501 R505 | L412-Y503 VanDerWaalsContact CD1-C 3.46Å; L412-Y503 VanDerWaalsContact CD1-CA 3.41Å; P501-Y503 VanDerWaalsContact C-N 3.28Å; P501-Y503 PolarHBondContact O-N 2.05Å; Y503-R505 HydrophobicContact CE2-CG 3.95Å |
| 504 | I | 84.7 | Confident | 87.1 | Confident | 49 Ų | 49 | 52.6 Ų | 52.6 | 25% | 0.251 | 27% | 0.268 | S | S | . | . | trans | -71.2 | 129.5 | 174.9 | -60.1 | -178.8 | 0 | 0 | 0 | 109.2 | L412 T414 V511 | L412-I504 HydrophobicContact CD1-CG1 4.16Å; T414-I504 HydrophobicContact CG2-CD1 3.62Å; I504-V511 HydrophobicContact CD1-CG2 4.12Å; I504-V511 HydrophobicContact CG1-CG2 4.19Å; I504-V511 HydrophobicContact CG2-CB 3.96Å; I504-V511 HydrophobicContact CG2-CG1 4.23Å; I504-V511 HydrophobicContact CG2-CG2 4.04Å | ||
| 505 | R | 82.3 | Confident | 86.9 | Confident | 78 Ų | 78 | 51.2 Ų | 51.2 | 29% | 0.294 | 26% | 0.263 | S | S | . | . | trans | -91 | 153.7 | 176.1 | -61.9 | -177.7 | -168.7 | 153.8 | 6.3 | 110.7 | A498 Y503 D507 F510 | A498-R505 PolarHBondContact O-NH2 2.76Å; Y503-R505 HydrophobicContact CE2-CG 3.95Å; R505-D507 VanDerWaalsContact CB-OD1 3.3Å; R505-D507 WeakPolarHBondContact CB-OD1 3.4Å; R505-D507 WeakPolarHBondContact CB-OD2 3.31Å; R505-D507 WeakPolarHBondContact CD-OD2 3.47Å; R505-D507 IonicContact NH1-OD2 3.93Å; R505-D507 PolarHBondContact O-N 2.8Å; R505-F510 HydrophobicContact CB-CE1 4.36Å; R505-F510 HydrophobicContact CG-CE1 4.15Å | ||
| 506 | S | 76 | Confident | 86.4 | Confident | 130 Ų | 130 | 51.2 Ų | 51.2 | 91% | 0.909 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90 | 32.8 | 175.9 | 65.9 | 0 | 0 | 0 | 0 | 113 | ||
| 507 | D | 78.7 | Confident | 85.6 | Confident | 61 Ų | 61 | 53.6 Ų | 53.6 | 33% | 0.326 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.8 | 6.3 | -175.3 | 60.1 | 16.7 | 0 | 0 | 0 | 113 | R505 T509 R582 | R505-D507 VanDerWaalsContact CB-OD1 3.3Å; R505-D507 WeakPolarHBondContact CB-OD1 3.4Å; R505-D507 WeakPolarHBondContact CB-OD2 3.31Å; R505-D507 WeakPolarHBondContact CD-OD2 3.47Å; R505-D507 IonicContact NH1-OD2 3.93Å; R505-D507 PolarHBondContact O-N 2.8Å; D507-T509 HydrophobicContact CB-CG2 4.16Å; D507-T509 VanDerWaalsContact CG-CG2 3.45Å; D507-T509 PolarHBondContact O-N 2.88Å; D507-T509 VanDerWaalsContact O-N 3.09Å; D507-T509 WeakPolarHBondContact OD1-CB 3.47Å; D507-T509 VanDerWaalsContact OD1-CG2 3.3Å; D507-T509 WeakPolarHBondContact OD1-CG2 3.31Å; D507-T509 PolarHBondContact OD1-N 2.89Å; D507-T509 VanDerWaalsContact OD1-N 3.1Å; D507-T509 PolarHBondContact OD1-OG1 3.12Å; D507-R582 PolarHBondContact O-NH1 2.86Å |
| 508 | D | 74.2 | Confident | 84.7 | Confident | 76 Ų | 76 | 49.5 Ų | 49.5 | 41% | 0.406 | 26% | 0.259 | S | S | . | . | trans | 49.2 | 26.2 | -175.4 | -62.3 | -27.5 | 0 | 0 | 0 | 114.9 | V511 | D508-V511 CarbonylContact C-O 3.53Å; D508-V511 VanDerWaalsContact CA-O 3.22Å; D508-V511 WeakPolarHBondContact CA-O 3.31Å | ||
| 509 | T | 81.7 | Confident | 83.3 | Confident | 21 Ų | 21 | 54 Ų | 54 | 13% | 0.129 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -71.6 | -40.4 | -173.4 | 48.4 | 0 | 0 | 0 | 0 | 114 | R494 D507 | R494-T509 WeakPolarHBondContact CB-O 3.46Å; D507-T509 HydrophobicContact CB-CG2 4.16Å; D507-T509 VanDerWaalsContact CG-CG2 3.45Å; D507-T509 PolarHBondContact O-N 2.88Å; D507-T509 VanDerWaalsContact O-N 3.09Å; D507-T509 WeakPolarHBondContact OD1-CB 3.47Å; D507-T509 VanDerWaalsContact OD1-CG2 3.3Å; D507-T509 WeakPolarHBondContact OD1-CG2 3.31Å; D507-T509 PolarHBondContact OD1-N 2.89Å; D507-T509 VanDerWaalsContact OD1-N 3.1Å; D507-T509 PolarHBondContact OD1-OG1 3.12Å |
| 510 | F | 89.5 | Confident | 81.8 | Confident | 1 Ų | 1 | 52.6 Ų | 52.6 | 0% | 0.004 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -136.6 | -4.3 | -178.1 | 66.1 | -88.5 | 0 | 0 | 0 | 114.6 | L412 F490 D491 R494 W495 A498 P501 R505 | L412-F510 HydrophobicContact CD2-CE2 4.17Å; F490-F510 WeakPolarHBondContact CA-O 3.31Å; F490-F510 AromaticContact CD2-CD2 3.89Å; F490-F510 HydrophobicContact CD2-CD2 3.89Å; F490-F510 HydrophobicContact CD2-CE2 4.32Å; F490-F510 AromaticContact CE2-CD2 3.8Å; F490-F510 HydrophobicContact CE2-CD2 3.8Å; F490-F510 HydrophobicContact CE2-CE2 4.16Å; D491-F510 PolarHBondContact N-O 3.1Å; R494-F510 HydrophobicContact CB-CB 3.58Å; W495-F510 HydrophobicContact CB-CB 4.09Å; W495-F510 HydrophobicContact CB-CD2 3.92Å; W495-F510 HydrophobicContact CB-CG 4.1Å; W495-F510 AromaticContact CD1-CD2 3.59Å; W495-F510 AromaticContact CD1-CE2 3.53Å; W495-F510 HydrophobicContact CG-CD2 4.13Å; W495-F510 HydrophobicContact CG-CE2 4.46Å; A498-F510 HydrophobicContact CB-CD1 3.8Å; A498-F510 HydrophobicContact CB-CE1 4.41Å; P501-F510 HydrophobicContact CB-CE1 4.5Å; P501-F510 HydrophobicContact CG-CD1 4.13Å; P501-F510 HydrophobicContact CG-CE1 3.38Å; P501-F510 HydrophobicContact CG-CE2 4.43Å; P501-F510 HydrophobicContact CG-CZ 3.56Å; R505-F510 HydrophobicContact CB-CE1 4.36Å; R505-F510 HydrophobicContact CG-CE1 4.15Å |
| 511 | V | 90.4 | Very high | 80.2 | Confident | 6 Ų | 6 | 59.4 Ų | 59.4 | 4% | 0.036 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 148.2 | 166.5 | 176.6 | 0 | 0 | 0 | 0 | 107.5 | L489 F490 I504 D508 I513 | L489-V511 CarbonylContact O-C 3.54Å; L489-V511 WeakPolarHBondContact O-CA 3.03Å; F490-V511 HydrophobicContact CB-CG2 4.08Å; F490-V511 HydrophobicContact CD2-CG2 3.75Å; F490-V511 HydrophobicContact CG-CG2 4.4Å; I504-V511 HydrophobicContact CD1-CG2 4.12Å; I504-V511 HydrophobicContact CG1-CG2 4.19Å; I504-V511 HydrophobicContact CG2-CB 3.96Å; I504-V511 HydrophobicContact CG2-CG1 4.23Å; I504-V511 HydrophobicContact CG2-CG2 4.04Å; D508-V511 CarbonylContact C-O 3.53Å; D508-V511 VanDerWaalsContact CA-O 3.22Å; D508-V511 WeakPolarHBondContact CA-O 3.31Å; V511-I513 HydrophobicContact CG1-CG1 4.25Å |
| 512 | S | 89 | Confident | 78.9 | Confident | 1 Ų | 1 | 66.4 Ų | 66.4 | 1% | 0.007 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 140.7 | 166.1 | -58.7 | 0 | 0 | 0 | 0 | 109.9 | G488 L489 F514 S584 | G488-S512 CarbonylContact C-O 3.5Å; G488-S512 WeakPolarHBondContact CA-O 3.43Å; L489-S512 PolarHBondContact N-O 2.99Å; L489-S512 PolarHBondContact O-N 2.99Å; S512-F514 VanDerWaalsContact CB-CZ 3.45Å; S512-F514 WeakPolarHBondContact O-CE2 3.46Å; S512-S584 WeakPolarHBondContact OG-CB 3.36Å; S512-S584 PolarHBondContact OG-N 3.46Å |
| 513 | I | 88.7 | Confident | 77.9 | Confident | 77 Ų | 77 | 62.1 Ų | 62.1 | 40% | 0.395 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 131.6 | -172.3 | -59.9 | -179.9 | 0 | 0 | 0 | 110.1 | R486 I487 V511 | R486-I513 HydrophobicContact CG-CG2 3.54Å; I487-I513 WeakPolarHBondContact O-CA 3.3Å; V511-I513 HydrophobicContact CG1-CG1 4.25Å |
| 514 | F | 87.3 | Confident | 77.2 | Confident | 5 Ų | 5 | 58.3 Ų | 58.3 | 2% | 0.022 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 135.1 | -176.5 | -40.5 | -83 | 0 | 0 | 0 | 109.8 | Q2 R486 I487 L489 S512 F588 F640 | Q2-F514 HydrophobicContact CB-CD1 4.08Å; Q2-F514 HydrophobicContact CB-CE1 4.45Å; Q2-F514 HydrophobicContact CG-CD1 3.99Å; Q2-F514 HydrophobicContact CG-CE1 3.84Å; R486-F514 WeakPolarHBondContact CA-O 3.45Å; I487-F514 HydrophobicContact CB-CD2 4.5Å; I487-F514 HydrophobicContact CG2-CD2 4.46Å; I487-F514 PolarHBondContact N-O 3.42Å; I487-F514 WeakPolarHBondContact O-CD2 3.31Å; I487-F514 PolarHBondContact O-N 3.22Å; L489-F514 HydrophobicContact CB-CE2 4Å; L489-F514 HydrophobicContact CD1-CE2 3.75Å; L489-F514 HydrophobicContact CD1-CZ 4.26Å; L489-F514 HydrophobicContact CG-CE2 3.82Å; S512-F514 VanDerWaalsContact CB-CZ 3.45Å; S512-F514 WeakPolarHBondContact O-CE2 3.46Å; F514-F588 HydrophobicContact CD2-CE1 4.19Å; F514-F588 AromaticContact CD2-CZ 3.81Å; F514-F588 HydrophobicContact CD2-CZ 3.81Å; F514-F588 HydrophobicContact CE2-CE1 4.02Å; F514-F588 HydrophobicContact CE2-CZ 4.09Å; F514-F588 HydrophobicContact CG-CZ 4.16Å; F514-F588 HydrophobicContact CZ-CE1 4.24Å; F514-F640 HydrophobicContact CB-CD1 3.76Å; F514-F640 HydrophobicContact CB-CE1 3.55Å; F514-F640 HydrophobicContact CB-CZ 4.29Å; F514-F640 HydrophobicContact CD1-CD1 4.48Å; F514-F640 HydrophobicContact CG-CD1 4.31Å |
| 515 | D | 85.9 | Confident | 76.6 | Confident | 14 Ų | 14 | 56 Ų | 56 | 8% | 0.075 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 124.6 | 179 | -75.4 | -8.1 | 0 | 0 | 0 | 110.5 | M1 I484 R486 L517 | M1-D515 HydrophobicContact CE-CB 3.75Å; M1-D515 WeakPolarHBondContact CE-OD2 3.14Å; M1-D515 HydrophobicContact SD-CB 4.32Å; I484-D515 HydrophobicContact CG2-CB 4.2Å; R486-D515 VanDerWaalsContact CG-OD1 3.29Å; R486-D515 WeakPolarHBondContact CG-OD1 3.46Å; R486-D515 IonicContact CZ-OD1 3.17Å; R486-D515 IonicContact CZ-OD2 2.78Å; R486-D515 IonicContact NE-OD1 3.49Å; R486-D515 PolarHBondContact NE-OD1 2.75Å; R486-D515 IonicContact NE-OD2 3.99Å; R486-D515 IonicContact NH2-OD1 3.86Å; R486-D515 PolarHBondContact NH2-OD1 2.83Å; R486-D515 IonicContact NH2-OD2 2.66Å; R486-D515 PolarHBondContact NH2-OD2 3.05Å; D515-L517 HydrophobicContact CB-CD1 4.47Å |
| 516 | A | 81.2 | Confident | 76.1 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 99.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | I485 L592 I638 F640 | I485-A516 HydrophobicContact CB-CB 4.25Å; I485-A516 HydrophobicContact CG2-CB 4.3Å; I485-A516 PolarHBondContact N-O 2.81Å; I485-A516 VanDerWaalsContact N-O 3.15Å; I485-A516 PolarHBondContact O-N 2.66Å; A516-L592 HydrophobicContact CB-CD1 4.24Å; A516-L592 HydrophobicContact CB-CD2 4.15Å; A516-I638 HydrophobicContact CB-CD1 3.97Å; A516-F640 HydrophobicContact CB-CZ 4.08Å |
| 517 | L | 75.2 | Confident | 76.1 | Confident | 87 Ų | 87 | 49.6 Ų | 49.6 | 46% | 0.455 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 127.6 | 176.9 | -76.9 | 137.4 | 0 | 0 | 0 | 110.4 | M1 I484 D515 | M1-L517 HydrophobicContact SD-CD1 4.34Å; I484-L517 HydrophobicContact CD1-CD2 3.8Å; I484-L517 HydrophobicContact CG1-CD2 3.71Å; I484-L517 HydrophobicContact CG1-CG 4.28Å; D515-L517 HydrophobicContact CB-CD1 4.47Å |
| 518 | I | 70 | Confident | 76.2 | Confident | 10 Ų | 10 | 46.7 Ų | 46.7 | 5% | 0.051 | 24% | 0.238 | C | C | . | . | trans | -90.9 | 134.3 | 163.9 | -59.8 | -173.9 | 0 | 0 | 0 | 108.5 | S483 N520 V523 L525 L592 W594 | S483-I518 PolarHBondContact O-N 3.29Å; I518-N520 VanDerWaalsContact C-N 3.27Å; I518-N520 PolarHBondContact O-N 2.87Å; I518-V523 HydrophobicContact CB-CG1 4.49Å; I518-V523 HydrophobicContact CD1-CG1 3.71Å; I518-V523 HydrophobicContact CG2-CB 4.2Å; I518-V523 HydrophobicContact CG2-CG1 4.06Å; I518-V523 HydrophobicContact CG2-CG2 4.12Å; I518-L525 HydrophobicContact CD1-CD1 4.03Å; I518-L525 HydrophobicContact CD1-CG 3.74Å; I518-L525 HydrophobicContact CG1-CD1 4.23Å; I518-L525 HydrophobicContact CG1-CG 4.49Å; I518-L592 HydrophobicContact CD1-CD2 4.02Å; I518-L592 HydrophobicContact CG1-CD2 3.81Å; I518-W594 HydrophobicContact CD1-CB 3.67Å; I518-W594 HydrophobicContact CD1-CD2 4.03Å; I518-W594 HydrophobicContact CD1-CG 3.52Å | ||
| 519 | P | 61.5 | Low | 76.6 | Confident | 107 Ų | 107 | 44.8 Ų | 44.8 | 70% | 0.695 | 23% | 0.225 | S | C | * | . | S | Bend | trans | -66.8 | -17.8 | -172.9 | 23.6 | -34.7 | 0 | 0 | 0 | 115.7 | L6 | L6-P519 HydrophobicContact CD2-CG 4.35Š|
| 520 | N | 62.4 | Low | 76.8 | Confident | 93 Ų | 93 | 43.8 Ų | 43.8 | 50% | 0.497 | 22% | 0.219 | S | C | . | . | trans | -97.8 | 128.7 | -179 | -87.3 | -18.1 | 0 | 0 | 0 | 112.6 | I518 K522 V523 | I518-N520 VanDerWaalsContact C-N 3.27Å; I518-N520 PolarHBondContact O-N 2.87Å; N520-K522 VanDerWaalsContact C-N 3.27Å; N520-K522 PolarHBondContact O-N 2.75Å; N520-V523 HydrophobicContact CB-CG2 3.65Å | ||
| 521 | Q | 57.2 | Low | 76.4 | Confident | 185 Ų | 185 | 44.7 Ų | 44.7 | 86% | 0.864 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -12.8 | 179.5 | -64.3 | -177.8 | -0.8 | 0 | 0 | 114.7 | ||
| 522 | K | 64 | Low | 75.7 | Confident | 157 Ų | 157 | 46.9 Ų | 46.9 | 68% | 0.683 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102 | 28.3 | 179.4 | -64.2 | -169.9 | 175.1 | -172.8 | 0 | 113.5 | N520 D597 | N520-K522 VanDerWaalsContact C-N 3.27Å; N520-K522 PolarHBondContact O-N 2.75Å; K522-D597 PolarHBondContact O-N 3.44Å |
| 523 | V | 69 | Low | 74.9 | Confident | 4 Ų | 4 | 52 Ų | 52 | 2% | 0.024 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 121.9 | -178.2 | 169.6 | 0 | 0 | 0 | 0 | 110.5 | I518 N520 L525 W594 T595 | I518-V523 HydrophobicContact CB-CG1 4.49Å; I518-V523 HydrophobicContact CD1-CG1 3.71Å; I518-V523 HydrophobicContact CG2-CB 4.2Å; I518-V523 HydrophobicContact CG2-CG1 4.06Å; I518-V523 HydrophobicContact CG2-CG2 4.12Å; N520-V523 HydrophobicContact CB-CG2 3.65Å; V523-L525 PolarHBondContact O-N 3Å; V523-W594 HydrophobicContact CB-CE3 4.14Å; V523-W594 HydrophobicContact CG1-CB 3.65Å; V523-W594 HydrophobicContact CG1-CD2 3.8Å; V523-W594 HydrophobicContact CG1-CE3 3.38Å; V523-W594 HydrophobicContact CG1-CG 3.99Å; V523-W594 HydrophobicContact CG1-CZ3 4.23Å; V523-W594 HydrophobicContact CG2-CE3 3.61Å; V523-W594 HydrophobicContact CG2-CZ3 3.56Å; V523-T595 WeakPolarHBondContact CA-O 3.37Å |
| 524 | Q | 71.7 | Confident | 74.4 | Confident | 62 Ų | 62 | 49.2 Ų | 49.2 | 29% | 0.29 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 105.4 | 170 | -167.1 | 180 | 117.2 | 0 | 0 | 109.3 | T595 D597 | Q524-T595 HydrophobicContact CB-CG2 3.91Å; Q524-T595 PolarHBondContact N-O 3.14Å; Q524-T595 PolarHBondContact O-N 2.95Å; Q524-T595 VanDerWaalsContact O-N 3.1Å; Q524-D597 PolarHBondContact NE2-OD1 3.21Å |
| 525 | L | 73.6 | Confident | 74 | Confident | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 123.6 | 175.4 | -138.5 | 178.8 | 0 | 0 | 0 | 109.9 | K479 E482 I485 I518 V523 L592 | K479-L525 PolarHBondContact NZ-O 2.72Å; E482-L525 WeakPolarHBondContact O-CB 3.38Å; E482-L525 PolarHBondContact O-N 3.04Å; I485-L525 HydrophobicContact CB-CD1 4.13Å; I485-L525 HydrophobicContact CD1-CD1 3.9Å; I485-L525 HydrophobicContact CD1-CD2 3.48Å; I485-L525 VanDerWaalsContact CD1-CD2 3.48Å; I485-L525 HydrophobicContact CD1-CG 4.21Å; I485-L525 HydrophobicContact CG1-CD1 3.94Å; I485-L525 HydrophobicContact CG1-CD2 4.4Å; I518-L525 HydrophobicContact CD1-CD1 4.03Å; I518-L525 HydrophobicContact CD1-CG 3.74Å; I518-L525 HydrophobicContact CG1-CD1 4.23Å; I518-L525 HydrophobicContact CG1-CG 4.49Å; V523-L525 PolarHBondContact O-N 3Å; L525-L592 HydrophobicContact CD1-CD2 4.07Å; L525-L592 HydrophobicContact CD2-CG 4.45Å |
| 526 | L | 71.8 | Confident | 73.3 | Confident | 31 Ų | 31 | 50.2 Ų | 50.2 | 16% | 0.162 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | -56.4 | -174 | -69.8 | 179.9 | 0 | 0 | 0 | 113.2 | F593 Y633 | L526-F593 HydrophobicContact CB-CD1 4.24Å; L526-F593 HydrophobicContact CD1-CD1 3.97Å; L526-F593 HydrophobicContact CD1-CE1 3.94Å; L526-F593 PolarHBondContact N-O 3.01Å; L526-Y633 HydrophobicContact CD1-CD1 3.98Å; L526-Y633 HydrophobicContact CD1-CE1 3.49Å; L526-Y633 VanDerWaalsContact CD1-CE1 3.49Å |
| 527 | H | 75.4 | Confident | 72.9 | Confident | 42 Ų | 42 | 51.9 Ų | 51.9 | 19% | 0.194 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 165.8 | -174 | -158.5 | -94.3 | 0 | 0 | 0 | 111.6 | I29 F593 | I29-H527 HydrophobicContact CG2-CB 3.38Å; H527-F593 PolarHBondContact N-O 3.13Å; H527-F593 PolarHBondContact O-N 3.31Å |
| 528 | T | 80.8 | Confident | 72.5 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 145.8 | 177.3 | -70.9 | 0 | 0 | 0 | 0 | 111.3 | I477 I485 I487 C590 L591 L592 | I477-T528 HydrophobicContact CD1-CG2 4.45Å; I477-T528 HydrophobicContact CG2-CG2 4.13Å; I485-T528 WeakPolarHBondContact CD1-OG1 3.38Å; I485-T528 HydrophobicContact CG2-CG2 4.3Å; I487-T528 HydrophobicContact CD1-CG2 4.5Å; T528-C590 WeakPolarHBondContact CG2-SG 3.31Å; T528-L591 CarbonylContact C-O 3.46Å; T528-L591 WeakPolarHBondContact CA-O 3.06Å; T528-L592 HydrophobicContact CG2-CD1 4.06Å |
| 529 | Y | 83 | Confident | 72.3 | Confident | 36 Ų | 36 | 48.5 Ų | 48.5 | 14% | 0.141 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 123.8 | -177.1 | -176.5 | -85.9 | 0 | 0 | 0 | 110.5 | F31 Q436 C590 L591 | F31-Y529 HydrophobicContact CB-CD1 4.41Å; F31-Y529 HydrophobicContact CB-CD2 3.86Å; F31-Y529 HydrophobicContact CB-CE2 4.02Å; F31-Y529 HydrophobicContact CB-CG 4.09Å; F31-Y529 HydrophobicContact CD1-CG 4.42Å; F31-Y529 AromaticContact CD2-CD2 3.92Å; F31-Y529 HydrophobicContact CD2-CD2 3.92Å; F31-Y529 AromaticContact CD2-CG 3.93Å; F31-Y529 HydrophobicContact CD2-CG 3.93Å; F31-Y529 HydrophobicContact CG-CD1 4.39Å; F31-Y529 HydrophobicContact CG-CD2 4.01Å; F31-Y529 AromaticContact CG-CG 3.89Å; F31-Y529 HydrophobicContact CG-CG 3.89Å; Q436-Y529 VanDerWaalsContact NE2-CE2 3.25Å; Y529-C590 CarbonylContact O-C 3.53Å; Y529-C590 WeakPolarHBondContact O-CA 3.45Å; Y529-C590 PolarHBondContact O-SG 2.89Å; Y529-L591 PolarHBondContact N-O 3.23Å; Y529-L591 PolarHBondContact O-N 2.78Å |
| 530 | L | 85.1 | Confident | 72.5 | Confident | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 126 | 176.1 | -163.2 | 156.2 | 0 | 0 | 0 | 109.8 | L438 A475 I477 I487 L489 E532 F588 | L438-L530 HydrophobicContact CD1-CD1 4.27Å; L438-L530 HydrophobicContact CD1-CD2 4.11Å; L438-L530 HydrophobicContact CD2-CD2 4.03Å; A475-L530 HydrophobicContact CB-CD1 4Å; I477-L530 HydrophobicContact CD1-CB 4.43Å; I487-L530 HydrophobicContact CG2-CD1 4.4Å; L489-L530 HydrophobicContact CD2-CD1 4.09Å; L530-E532 PolarHBondContact O-N 3.42Å; L530-E532 VanDerWaalsContact O-N 3.08Å; L530-F588 HydrophobicContact CD1-CD2 3.58Å; L530-F588 HydrophobicContact CD1-CE2 3.65Å; L530-F588 HydrophobicContact CD1-CG 4.23Å; L530-F588 HydrophobicContact CD1-CZ 4.38Å; L530-F588 HydrophobicContact CD2-CB 4.32Å; L530-F588 HydrophobicContact CD2-CD2 4.25Å; L530-F588 HydrophobicContact CG-CD2 3.71Å; L530-F588 HydrophobicContact CG-CE2 4.2Å; L530-F588 HydrophobicContact CG-CG 4.41Å |
| 531 | I | 82 | Confident | 72.6 | Confident | 20 Ų | 20 | 44.2 Ų | 44.2 | 10% | 0.103 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 95.7 | 179.2 | -53.5 | -178.3 | 0 | 0 | 0 | 108.2 | S533 S534 H589 L591 | I531-S533 VanDerWaalsContact C-N 3.31Å; I531-S533 PolarHBondContact O-N 2.96Å; I531-S534 WeakPolarHBondContact O-CB 3.11Å; I531-S534 PolarHBondContact O-N 3.47Å; I531-S534 PolarHBondContact O-OG 2.99Å; I531-H589 HydrophobicContact CB-CB 4.33Å; I531-H589 HydrophobicContact CD1-CB 3.96Å; I531-H589 HydrophobicContact CG1-CB 4.33Å; I531-H589 PolarHBondContact N-O 3.33Å; I531-L591 HydrophobicContact CD1-CD1 4.28Å; I531-L591 HydrophobicContact CD1-CD2 4.05Å; I531-L591 HydrophobicContact CD1-CG 3.89Å; I531-L591 HydrophobicContact CG1-CD1 4.35Å; I531-L591 HydrophobicContact CG1-CG 4.04Å |
| 532 | E | 75.4 | Confident | 72.9 | Confident | 51 Ų | 51 | 36.8 Ų | 36.8 | 24% | 0.238 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -49 | -47.2 | -176.3 | -179.3 | 174.6 | -137.1 | 0 | 0 | 113.4 | L438 H439 L530 S534 L535 | L438-E532 WeakPolarHBondContact CA-OE1 3.27Å; L438-E532 HydrophobicContact CD2-CB 4.09Å; L438-E532 HydrophobicContact CD2-CG 4.13Å; H439-E532 IonicContact CE1-OE1 2.73Å; H439-E532 IonicContact CG-OE1 2.79Å; H439-E532 PolarHBondContact N-OE1 2.9Å; H439-E532 IonicContact ND1-OE1 3.63Å; H439-E532 PolarHBondContact ND1-OE1 2.88Å; H439-E532 IonicContact ND1-OE2 3.54Å; L530-E532 PolarHBondContact O-N 3.42Å; L530-E532 VanDerWaalsContact O-N 3.08Å; E532-S534 PolarHBondContact O-N 3.31Å; E532-L535 VanDerWaalsContact O-CB 3.28Å; E532-L535 WeakPolarHBondContact O-CB 3.5Å; E532-L535 PolarHBondContact O-N 3.05Å |
| 533 | S | 71.5 | Confident | 72.8 | Confident | 110 Ų | 110 | 33.1 Ų | 33.1 | 77% | 0.769 | 18% | 0.18 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -64.4 | -8.2 | 179.1 | 59 | 0 | 0 | 0 | 0 | 115.3 | I531 | I531-S533 VanDerWaalsContact C-N 3.31Å; I531-S533 PolarHBondContact O-N 2.96Å |
| 534 | S | 77.8 | Confident | 72.4 | Confident | 18 Ų | 18 | 37.4 Ų | 37.4 | 13% | 0.126 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | -11.1 | 175.6 | 74.3 | 0 | 0 | 0 | 0 | 114.4 | I531 E532 M536 H589 | I531-S534 WeakPolarHBondContact O-CB 3.11Å; I531-S534 PolarHBondContact O-N 3.47Å; I531-S534 PolarHBondContact O-OG 2.99Å; E532-S534 PolarHBondContact O-N 3.31Å; S534-M536 PolarHBondContact O-N 2.9Å; S534-M536 VanDerWaalsContact O-N 3.17Å; S534-H589 WeakPolarHBondContact CB-CD2 3.3Å; S534-H589 WeakPolarHBondContact OG-CB 3.32Å; S534-H589 PolarHBondContact OG-N 3.11Å |
| 535 | L | 79.2 | Confident | 71.7 | Confident | 2 Ų | 2 | 43.1 Ų | 43.1 | 1% | 0.01 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 116.9 | 176.9 | -170.1 | 75.1 | 0 | 0 | 0 | 108.4 | L438 P441 L473 L489 E532 L586 F588 | L438-L535 HydrophobicContact CB-CD2 4.29Å; L438-L535 HydrophobicContact CD1-CD2 4.18Å; P441-L535 WeakPolarHBondContact CG-O 3.22Å; L473-L535 HydrophobicContact CD1-CD2 4.12Å; L489-L535 HydrophobicContact CD1-CD1 4.34Å; E532-L535 VanDerWaalsContact O-CB 3.28Å; E532-L535 WeakPolarHBondContact O-CB 3.5Å; E532-L535 PolarHBondContact O-N 3.05Å; L535-L586 HydrophobicContact CD1-CB 4.27Å; L535-L586 HydrophobicContact CD1-CD1 4.12Å; L535-F588 HydrophobicContact CD1-CB 3.93Å; L535-F588 HydrophobicContact CD1-CD1 4.2Å; L535-F588 HydrophobicContact CD1-CG 4.31Å |
| 536 | M | 71.5 | Confident | 70.9 | Confident | 38 Ų | 38 | 45.7 Ų | 45.7 | 19% | 0.187 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 130 | 177.7 | -78 | -120.4 | 88 | 0 | 0 | 110.3 | P441 S534 S540 R541 S587 | P441-M536 HydrophobicContact CB-CE 4.11Å; S534-M536 PolarHBondContact O-N 2.9Å; S534-M536 VanDerWaalsContact O-N 3.17Å; M536-S540 VanDerWaalsContact CE-OG 3.29Å; M536-S540 WeakPolarHBondContact CE-OG 3.39Å; M536-R541 HydrophobicContact CB-CG 4.33Å; M536-R541 HydrophobicContact SD-CG 3.63Å; M536-S587 PolarHBondContact N-O 3.17Å; M536-S587 PolarHBondContact O-N 3.24Å |
| 537 | S | 72 | Confident | 70.1 | Confident | 34 Ų | 34 | 46.4 Ų | 46.4 | 24% | 0.238 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 140.8 | 163.8 | 75.1 | 0 | 0 | 0 | 0 | 109.9 | W539 S540 R541 | S537-W539 PolarHBondContact O-N 3.42Å; S537-S540 WeakPolarHBondContact O-CB 3.17Å; S537-S540 PolarHBondContact O-N 3.38Å; S537-S540 VanDerWaalsContact O-N 3.08Å; S537-S540 WeakPolarHBondContact OG-CB 3.38Å; S537-S540 PolarHBondContact OG-N 3.45Å; S537-S540 VanDerWaalsContact OG-N 3.13Å; S537-R541 PolarHBondContact O-N 3.45Å |
| 538 | F | 68.2 | Low | 69.1 | Low | 9 Ų | 9 | 48.3 Ų | 48.3 | 4% | 0.039 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -48.8 | -43.3 | 173.9 | 172.4 | -130.2 | 0 | 0 | 0 | 112.1 | R541 I542 S585 Q644 E645 I648 L689 | F538-R541 PolarHBondContact O-N 2.87Å; F538-I542 HydrophobicContact CD1-CD1 4.27Å; F538-I542 HydrophobicContact CD2-CD1 4.07Å; F538-I542 HydrophobicContact CE1-CD1 3.75Å; F538-I542 HydrophobicContact CE2-CD1 3.55Å; F538-I542 HydrophobicContact CE2-CG1 4.27Å; F538-I542 HydrophobicContact CG-CD1 4.42Å; F538-I542 HydrophobicContact CZ-CD1 3.38Å; F538-I542 PolarHBondContact O-N 2.82Å; F538-I542 VanDerWaalsContact O-N 3.14Å; F538-S585 PolarHBondContact N-O 3.24Å; F538-Q644 HydrophobicContact CD1-CB 3.47Å; F538-Q644 VanDerWaalsContact CD1-CB 3.47Å; F538-Q644 HydrophobicContact CD1-CG 4.02Å; F538-Q644 HydrophobicContact CE1-CB 3.42Å; F538-Q644 VanDerWaalsContact CE1-CB 3.42Å; F538-Q644 HydrophobicContact CE1-CG 4.11Å; F538-Q644 HydrophobicContact CG-CB 4.16Å; F538-Q644 HydrophobicContact CZ-CB 4.04Å; F538-E645 HydrophobicContact CB-CG 4.2Å; F538-E645 HydrophobicContact CD2-CG 3.28Å; F538-E645 WeakPolarHBondContact CD2-OE1 3.48Å; F538-E645 HydrophobicContact CE2-CG 3.8Å; F538-E645 HydrophobicContact CG-CG 3.96Å; F538-I648 HydrophobicContact CE2-CD1 3.77Å; F538-I648 HydrophobicContact CZ-CD1 3.59Å; F538-L689 HydrophobicContact CE1-CD1 3.82Å; F538-L689 HydrophobicContact CZ-CD1 3.75Å |
| 539 | W | 64.9 | Low | 67.7 | Low | 17 Ų | 17 | 52.3 Ų | 52.3 | 6% | 0.064 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -70.3 | -30.9 | -179.4 | -62.6 | 105.3 | 0 | 0 | 0 | 114.4 | S537 R541 I542 V543 F580 P693 | S537-W539 PolarHBondContact O-N 3.42Å; W539-R541 VanDerWaalsContact C-N 3.33Å; W539-I542 HydrophobicContact CE3-CB 4.18Å; W539-I542 HydrophobicContact CE3-CD1 3.78Å; W539-I542 HydrophobicContact CE3-CG2 4.27Å; W539-I542 HydrophobicContact CH2-CD1 3.88Å; W539-I542 HydrophobicContact CZ3-CB 4.39Å; W539-I542 HydrophobicContact CZ3-CD1 3.34Å; W539-I542 HydrophobicContact CZ3-CG1 4.42Å; W539-I542 HydrophobicContact CZ3-CG2 4.21Å; W539-I542 PolarHBondContact O-N 3.03Å; W539-V543 WeakPolarHBondContact O-CB 3.4Å; W539-V543 WeakPolarHBondContact O-CG2 3.32Å; W539-V543 PolarHBondContact O-N 3.34Å; W539-F580 AromaticContact CD1-CG 3.66Å; W539-F580 HydrophobicContact CD2-CD2 4.41Å; W539-F580 HydrophobicContact CD2-CG 4.5Å; W539-F580 AromaticContact CE2-CD1 3.85Å; W539-F580 AromaticContact CE2-CD2 3.88Å; W539-F580 AromaticContact CE2-CG 3.77Å; W539-F580 HydrophobicContact CG-CB 4.28Å; W539-F580 HydrophobicContact CG-CG 4.45Å; W539-F580 HydrophobicContact CZ2-CD1 4.17Å; W539-F580 HydrophobicContact CZ2-CD2 4.35Å; W539-F580 AromaticContact CZ2-CE1 3.92Å; W539-F580 HydrophobicContact CZ2-CE1 3.92Å; W539-F580 HydrophobicContact CZ2-CE2 4.13Å; W539-F580 HydrophobicContact CZ2-CG 4.41Å; W539-F580 AromaticContact CZ2-CZ 3.93Å; W539-F580 HydrophobicContact CZ2-CZ 3.93Å; W539-F580 AromaticContact NE1-CD1 3.18Å; W539-F580 AromaticContact NE1-CD2 3.67Å; W539-F580 AromaticContact NE1-CE1 3.83Å; W539-F580 AromaticContact NE1-CG 3.1Å; W539-P693 HydrophobicContact CE3-CG 4.34Å; W539-P693 VanDerWaalsContact CZ3-CD 3.44Å |
| 540 | S | 66.1 | Low | 66.2 | Low | 38 Ų | 38 | 55.3 Ų | 55.3 | 27% | 0.266 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61.3 | -44.1 | 172 | -176.7 | 0 | 0 | 0 | 0 | 110.6 | M536 S537 I542 V543 Q544 | M536-S540 VanDerWaalsContact CE-OG 3.29Å; M536-S540 WeakPolarHBondContact CE-OG 3.39Å; S537-S540 WeakPolarHBondContact O-CB 3.17Å; S537-S540 PolarHBondContact O-N 3.38Å; S537-S540 VanDerWaalsContact O-N 3.08Å; S537-S540 WeakPolarHBondContact OG-CB 3.38Å; S537-S540 PolarHBondContact OG-N 3.45Å; S537-S540 VanDerWaalsContact OG-N 3.13Å; S540-I542 PolarHBondContact O-N 2.8Å; S540-V543 PolarHBondContact O-N 3.21Å; S540-Q544 VanDerWaalsContact O-CB 3.23Å; S540-Q544 WeakPolarHBondContact O-CB 3.19Å; S540-Q544 PolarHBondContact O-N 3.07Å |
| 541 | R | 65.4 | Low | 64.5 | Low | 73 Ų | 73 | 60.3 Ų | 60.3 | 28% | 0.275 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -65.5 | -37.5 | 176.3 | -57.9 | -166.4 | -146 | 136.1 | 31.7 | 112.8 | M536 S537 F538 W539 R545 S587 E645 | M536-R541 HydrophobicContact CB-CG 4.33Å; M536-R541 HydrophobicContact SD-CG 3.63Å; S537-R541 PolarHBondContact O-N 3.45Å; F538-R541 PolarHBondContact O-N 2.87Å; W539-R541 VanDerWaalsContact C-N 3.33Å; R541-R545 WeakPolarHBondContact O-CB 3.29Å; R541-R545 VanDerWaalsContact O-CG 3.25Å; R541-R545 WeakPolarHBondContact O-CG 3.34Å; R541-R545 PolarHBondContact O-N 2.99Å; R541-S587 VanDerWaalsContact NH2-CB 3.29Å; R541-S587 PolarHBondContact NH2-OG 3.04Å; R541-E645 IonicContact CZ-OE1 2.66Å; R541-E645 IonicContact CZ-OE2 3.5Å; R541-E645 IonicContact NE-OE1 2.73Å; R541-E645 VanDerWaalsContact NH1-CD 3.26Å; R541-E645 IonicContact NH1-OE1 3.45Å; R541-E645 PolarHBondContact NH1-OE1 3.43Å; R541-E645 IonicContact NH1-OE2 2.93Å; R541-E645 PolarHBondContact NH1-OE2 3.49Å; R541-E645 VanDerWaalsContact NH1-OE2 3.09Å; R541-E645 VanDerWaalsContact NH2-CD 3.34Å; R541-E645 IonicContact NH2-OE1 3.11Å; R541-E645 PolarHBondContact NH2-OE1 2.94Å; R541-E645 IonicContact NH2-OE2 3.68Å; R541-E645 PolarHBondContact NH2-OE2 3.11Å |
| 542 | I | 63.4 | Low | 62.8 | Low | 28 Ų | 28 | 62.3 Ų | 62.3 | 14% | 0.144 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65.9 | -50.9 | 175.9 | -72.6 | 175.2 | 0 | 0 | 0 | 110.9 | F538 W539 S540 Q544 R545 E546 | F538-I542 HydrophobicContact CD1-CD1 4.27Å; F538-I542 HydrophobicContact CD2-CD1 4.07Å; F538-I542 HydrophobicContact CE1-CD1 3.75Å; F538-I542 HydrophobicContact CE2-CD1 3.55Å; F538-I542 HydrophobicContact CE2-CG1 4.27Å; F538-I542 HydrophobicContact CG-CD1 4.42Å; F538-I542 HydrophobicContact CZ-CD1 3.38Å; F538-I542 PolarHBondContact O-N 2.82Å; F538-I542 VanDerWaalsContact O-N 3.14Å; W539-I542 HydrophobicContact CE3-CB 4.18Å; W539-I542 HydrophobicContact CE3-CD1 3.78Å; W539-I542 HydrophobicContact CE3-CG2 4.27Å; W539-I542 HydrophobicContact CH2-CD1 3.88Å; W539-I542 HydrophobicContact CZ3-CB 4.39Å; W539-I542 HydrophobicContact CZ3-CD1 3.34Å; W539-I542 HydrophobicContact CZ3-CG1 4.42Å; W539-I542 HydrophobicContact CZ3-CG2 4.21Å; W539-I542 PolarHBondContact O-N 3.03Å; S540-I542 PolarHBondContact O-N 2.8Å; I542-Q544 VanDerWaalsContact C-N 3.29Å; I542-Q544 PolarHBondContact O-N 3.22Å; I542-R545 PolarHBondContact O-N 2.88Å; I542-R545 VanDerWaalsContact O-N 3.15Å; I542-E546 PolarHBondContact O-N 3.36Å |
| 543 | V | 61.9 | Low | 61.2 | Low | 81 Ų | 81 | 64.1 Ų | 64.1 | 49% | 0.491 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -62.5 | -37.2 | 178.2 | 172.9 | 0 | 0 | 0 | 0 | 111.4 | W539 S540 E546 S547 | W539-V543 WeakPolarHBondContact O-CB 3.4Å; W539-V543 WeakPolarHBondContact O-CG2 3.32Å; W539-V543 PolarHBondContact O-N 3.34Å; S540-V543 PolarHBondContact O-N 3.21Å; V543-E546 PolarHBondContact O-N 3.17Å; V543-S547 WeakPolarHBondContact O-CB 3.33Å; V543-S547 PolarHBondContact O-N 3.05Å |
| 544 | Q | 59.8 | Low | 59.6 | Low | 94 Ų | 94 | 65.9 Ų | 65.9 | 44% | 0.439 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.7 | -45.1 | 174.2 | -167.5 | -178.8 | 28.3 | 0 | 0 | 111.3 | S540 I542 S547 N548 | S540-Q544 VanDerWaalsContact O-CB 3.23Å; S540-Q544 WeakPolarHBondContact O-CB 3.19Å; S540-Q544 PolarHBondContact O-N 3.07Å; I542-Q544 VanDerWaalsContact C-N 3.29Å; I542-Q544 PolarHBondContact O-N 3.22Å; Q544-S547 PolarHBondContact O-N 3.02Å; Q544-S547 PolarHBondContact O-OG 3.02Å; Q544-N548 WeakPolarHBondContact O-CB 3.26Å; Q544-N548 VanDerWaalsContact O-CG 3.31Å; Q544-N548 PolarHBondContact O-N 3.47Å |
| 545 | R | 58 | Low | 57.6 | Low | 182 Ų | 182 | 72 Ų | 72 | 69% | 0.687 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -61.9 | -46.1 | 174.5 | -76.7 | 173.1 | 174.7 | -171.9 | -2 | 112.4 | R541 I542 S547 N548 L549 | R541-R545 WeakPolarHBondContact O-CB 3.29Å; R541-R545 VanDerWaalsContact O-CG 3.25Å; R541-R545 WeakPolarHBondContact O-CG 3.34Å; R541-R545 PolarHBondContact O-N 2.99Å; I542-R545 PolarHBondContact O-N 2.88Å; I542-R545 VanDerWaalsContact O-N 3.15Å; R545-S547 VanDerWaalsContact C-N 3.32Å; R545-S547 PolarHBondContact O-N 2.9Å; R545-N548 PolarHBondContact O-N 3.17Å; R545-L549 WeakPolarHBondContact O-CB 3.45Å; R545-L549 WeakPolarHBondContact O-CG 3.44Å; R545-L549 PolarHBondContact O-N 2.97Å |
| 546 | E | 55.5 | Low | 55.4 | Low | 55 Ų | 55 | 80.7 Ų | 80.7 | 26% | 0.257 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -55.3 | -48 | 172.3 | -73.8 | -173.7 | 164.2 | 0 | 0 | 110.8 | I542 V543 N548 L549 I550 R867 | I542-E546 PolarHBondContact O-N 3.36Å; V543-E546 PolarHBondContact O-N 3.17Å; E546-N548 VanDerWaalsContact C-N 3.34Å; E546-N548 PolarHBondContact O-N 3.29Å; E546-L549 PolarHBondContact O-N 3.31Å; E546-I550 WeakPolarHBondContact O-CB 3.43Å; E546-I550 WeakPolarHBondContact O-CD1 3.23Å; E546-I550 VanDerWaalsContact O-CG1 3.26Å; E546-I550 WeakPolarHBondContact O-CG1 3.49Å; E546-I550 PolarHBondContact O-N 3.4Å; E546-R867 IonicContact OE1-NH1 3.98Å; E546-R867 IonicContact OE2-NH1 3.83Å |
| 547 | S | 54.8 | Low | 53.4 | Low | 45 Ų | 45 | 84.8 Ų | 84.8 | 32% | 0.315 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -65 | -35.3 | -179 | 81.1 | 0 | 0 | 0 | 0 | 113.2 | V543 Q544 R545 K551 | V543-S547 WeakPolarHBondContact O-CB 3.33Å; V543-S547 PolarHBondContact O-N 3.05Å; Q544-S547 PolarHBondContact O-N 3.02Å; Q544-S547 PolarHBondContact O-OG 3.02Å; R545-S547 VanDerWaalsContact C-N 3.32Å; R545-S547 PolarHBondContact O-N 2.9Å; S547-K551 VanDerWaalsContact O-CG 3.31Å; S547-K551 WeakPolarHBondContact O-CG 3.29Å; S547-K551 PolarHBondContact O-N 2.77Å |
| 548 | N | 54.8 | Low | 51.6 | Low | 83 Ų | 83 | 89.1 Ų | 89.1 | 44% | 0.444 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -73 | -40.2 | 177 | -73 | -11.9 | 0 | 0 | 0 | 111.3 | Q544 R545 E546 K551 S552 | Q544-N548 WeakPolarHBondContact O-CB 3.26Å; Q544-N548 VanDerWaalsContact O-CG 3.31Å; Q544-N548 PolarHBondContact O-N 3.47Å; R545-N548 PolarHBondContact O-N 3.17Å; E546-N548 VanDerWaalsContact C-N 3.34Å; E546-N548 PolarHBondContact O-N 3.29Å; N548-K551 PolarHBondContact O-N 3.48Å; N548-S552 PolarHBondContact O-N 3.16Å; N548-S552 PolarHBondContact O-OG 3.26Å |
| 549 | L | 51.3 | Low | 49.6 | Very low | 84 Ų | 84 | 97.7 Ų | 97.7 | 44% | 0.44 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60 | -47.4 | 172.3 | -75.6 | 165.9 | 0 | 0 | 0 | 111 | R545 E546 K551 S552 C553 | R545-L549 WeakPolarHBondContact O-CB 3.45Å; R545-L549 WeakPolarHBondContact O-CG 3.44Å; R545-L549 PolarHBondContact O-N 2.97Å; E546-L549 PolarHBondContact O-N 3.31Å; L549-K551 VanDerWaalsContact C-N 3.32Å; L549-K551 PolarHBondContact O-N 3.32Å; L549-S552 WeakPolarHBondContact CA-OG 3.42Å; L549-S552 PolarHBondContact O-N 3.01Å; L549-S552 VanDerWaalsContact O-N 3.15Å; L549-S552 PolarHBondContact O-OG 3.47Å; L549-C553 PolarHBondContact O-N 3.48Å; L549-C553 PolarHBondContact O-SG 3.02Å; L549-C553 VanDerWaalsContact O-SG 3.32Å |
| 550 | I | 51.9 | Low | 48 | Very low | 98 Ų | 98 | 105 Ų | 105 | 50% | 0.503 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -58.1 | -43.4 | 176.1 | -69.5 | 163.8 | 0 | 0 | 0 | 111.2 | E546 C553 Q554 | E546-I550 WeakPolarHBondContact O-CB 3.43Å; E546-I550 WeakPolarHBondContact O-CD1 3.23Å; E546-I550 VanDerWaalsContact O-CG1 3.26Å; E546-I550 WeakPolarHBondContact O-CG1 3.49Å; E546-I550 PolarHBondContact O-N 3.4Å; I550-C553 PolarHBondContact O-N 2.9Å; I550-Q554 WeakPolarHBondContact O-CG 3.37Å; I550-Q554 PolarHBondContact O-N 3.28Å |
| 551 | K | 49.1 | Very low | 46.1 | Very low | 107 Ų | 107 | 112.2 Ų | 112.2 | 47% | 0.465 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -61.4 | -44.5 | 174.7 | -75.4 | 170 | -179 | 176 | 0 | 112.3 | S547 N548 L549 C553 Q554 L555 | S547-K551 VanDerWaalsContact O-CG 3.31Å; S547-K551 WeakPolarHBondContact O-CG 3.29Å; S547-K551 PolarHBondContact O-N 2.77Å; N548-K551 PolarHBondContact O-N 3.48Å; L549-K551 VanDerWaalsContact C-N 3.32Å; L549-K551 PolarHBondContact O-N 3.32Å; K551-C553 VanDerWaalsContact C-N 3.31Å; K551-C553 PolarHBondContact O-N 3.24Å; K551-Q554 PolarHBondContact O-N 2.98Å; K551-Q554 VanDerWaalsContact O-N 3.11Å; K551-L555 PolarHBondContact O-N 3.1Å |
| 552 | S | 46.2 | Very low | 44.3 | Very low | 61 Ų | 61 | 114.5 Ų | 114.5 | 43% | 0.427 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -63.2 | -35.8 | 175.9 | 52.3 | 0 | 0 | 0 | 0 | 112.9 | N548 L549 Q554 L555 | N548-S552 PolarHBondContact O-N 3.16Å; N548-S552 PolarHBondContact O-OG 3.26Å; L549-S552 WeakPolarHBondContact CA-OG 3.42Å; L549-S552 PolarHBondContact O-N 3.01Å; L549-S552 VanDerWaalsContact O-N 3.15Å; L549-S552 PolarHBondContact O-OG 3.47Å; S552-Q554 VanDerWaalsContact C-N 3.3Å; S552-Q554 PolarHBondContact O-N 3.43Å; S552-L555 PolarHBondContact O-N 3.12Å |
| 553 | C | 41.3 | Very low | 42.5 | Very low | 90 Ų | 90 | 120 Ų | 120 | 61% | 0.608 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -71.4 | -21.4 | 173.9 | -63.6 | 0 | 0 | 0 | 0 | 113.6 | L549 I550 K551 | L549-C553 PolarHBondContact O-N 3.48Å; L549-C553 PolarHBondContact O-SG 3.02Å; L549-C553 VanDerWaalsContact O-SG 3.32Å; I550-C553 PolarHBondContact O-N 2.9Å; K551-C553 VanDerWaalsContact C-N 3.31Å; K551-C553 PolarHBondContact O-N 3.24Å |
| 554 | Q | 38.2 | Very low | 40.9 | Very low | 146 Ų | 146 | 124.2 Ų | 124.2 | 68% | 0.682 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -82.3 | -10.4 | 177.7 | -78.2 | 177.4 | -22.3 | 0 | 0 | 114 | I550 K551 S552 Y556 | I550-Q554 WeakPolarHBondContact O-CG 3.37Å; I550-Q554 PolarHBondContact O-N 3.28Å; K551-Q554 PolarHBondContact O-N 2.98Å; K551-Q554 VanDerWaalsContact O-N 3.11Å; S552-Q554 VanDerWaalsContact C-N 3.3Å; S552-Q554 PolarHBondContact O-N 3.43Å; Q554-Y556 VanDerWaalsContact C-N 3.28Å; Q554-Y556 PolarHBondContact O-N 3.08Å |
| 555 | L | 36.2 | Very low | 39.3 | Very low | 147 Ų | 147 | 127.1 Ų | 127.1 | 77% | 0.77 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | -5.7 | 178.7 | -76.3 | 165.9 | 0 | 0 | 0 | 114.2 | K551 S552 P557 | K551-L555 PolarHBondContact O-N 3.1Å; S552-L555 PolarHBondContact O-N 3.12Å; L555-P557 WeakPolarHBondContact O-CD 3.43Å |
| 556 | Y | 33.2 | Very low | 37.9 | Very low | 185 Ų | 185 | 124.4 Ų | 124.4 | 73% | 0.725 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -88.8 | 114.9 | 170.6 | -79.2 | -88.8 | 0 | 0 | 0 | 110.9 | Q554 I558 | Q554-Y556 VanDerWaalsContact C-N 3.28Å; Q554-Y556 PolarHBondContact O-N 3.08Å; Y556-I558 VanDerWaalsContact C-N 3.34Å; Y556-I558 PolarHBondContact O-N 2.96Å |
| 557 | P | 29.3 | Very low | 36.6 | Very low | 123 Ų | 123 | 129.3 Ų | 129.3 | 80% | 0.799 | 66% | 0.657 | S | S | * | * | trans | -81.2 | 72.5 | -172.2 | 33.6 | -36.8 | 0 | 0 | 0 | 112.6 | L555 Q559 | L555-P557 WeakPolarHBondContact O-CD 3.43Å; P557-Q559 PolarHBondContact O-N 3.41Å; P557-Q559 VanDerWaalsContact O-N 3.09Å | ||
| 558 | I | 34.1 | Very low | 35.3 | Very low | 125 Ų | 125 | 134.9 Ų | 134.9 | 64% | 0.641 | 67% | 0.673 | S | S | * | * | trans | -69.9 | 105.8 | 174.7 | -53.1 | 176.6 | 0 | 0 | 0 | 109.5 | Y556 F560 | Y556-I558 VanDerWaalsContact C-N 3.34Å; Y556-I558 PolarHBondContact O-N 2.96Å; I558-F560 HydrophobicContact CB-CD2 4.23Å; I558-F560 HydrophobicContact CB-CE2 4.05Å; I558-F560 HydrophobicContact CG2-CD2 3.75Å; I558-F560 HydrophobicContact CG2-CE2 3.44Å; I558-F560 VanDerWaalsContact CG2-CE2 3.44Å; I558-F560 HydrophobicContact CG2-CZ 4.14Å; I558-F560 PolarHBondContact O-N 2.88Å | ||
| 559 | Q | 27.4 | Very low | 34.2 | Very low | 190 Ų | 190 | 138.5 Ų | 138.5 | 89% | 0.888 | 69% | 0.687 | S | S | * | * | trans | -68.9 | 85.4 | 176.6 | -71.5 | -169 | -4.6 | 0 | 0 | 112.3 | P557 K561 | P557-Q559 PolarHBondContact O-N 3.41Å; P557-Q559 VanDerWaalsContact O-N 3.09Å; Q559-K561 PolarHBondContact O-N 3Å | ||
| 560 | F | 31.3 | Very low | 33.3 | Very low | 169 Ų | 169 | 145.1 Ų | 145.1 | 74% | 0.741 | 71% | 0.707 | S | S | * | * | trans | -73.6 | 107.7 | 169.1 | -83.6 | -82.2 | 0 | 0 | 0 | 111.3 | I558 | I558-F560 HydrophobicContact CB-CD2 4.23Å; I558-F560 HydrophobicContact CB-CE2 4.05Å; I558-F560 HydrophobicContact CG2-CD2 3.75Å; I558-F560 HydrophobicContact CG2-CE2 3.44Å; I558-F560 VanDerWaalsContact CG2-CE2 3.44Å; I558-F560 HydrophobicContact CG2-CZ 4.14Å; I558-F560 PolarHBondContact O-N 2.88Å | ||
| 561 | K | 26.3 | Very low | 32.5 | Very low | 191 Ų | 191 | 150.2 Ų | 150.2 | 83% | 0.83 | 73% | 0.726 | S | S | * | * | trans | -58.7 | 130.7 | 163.8 | -76.1 | -178.1 | 176.6 | 175.7 | 0 | 109.3 | Q559 N563 | Q559-K561 PolarHBondContact O-N 3Å; K561-N563 PolarHBondContact O-N 2.83Å | ||
| 562 | P | 26.6 | Very low | 31.8 | Very low | 121 Ų | 121 | 154 Ų | 154 | 79% | 0.786 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -82 | 82.4 | -170.9 | 32.8 | -36.3 | 0 | 0 | 0 | 112.1 | ||
| 563 | N | 26 | Very low | 31.5 | Very low | 142 Ų | 142 | 155.1 Ų | 155.1 | 76% | 0.759 | 75% | 0.745 | S | S | * | * | trans | -142.5 | 147.3 | 165.8 | -91.9 | -41.7 | 0 | 0 | 0 | 111 | K561 | K561-N563 PolarHBondContact O-N 2.83Š| ||
| 564 | H | 28.5 | Very low | 31.5 | Very low | 171 Ų | 171 | 157.3 Ų | 157.3 | 79% | 0.792 | 74% | 0.741 | S | S | * | * | trans | 67.1 | 73.5 | -170.9 | -55.7 | -76.7 | 0 | 0 | 0 | 116.1 | N566 | H564-N566 PolarHBondContact O-N 3.32Š| ||
| 565 | I | 26 | Very low | 31.9 | Very low | 154 Ų | 154 | 155.9 Ų | 155.9 | 79% | 0.79 | 74% | 0.744 | S | S | * | * | trans | -74.6 | 72.6 | 162.4 | -50.9 | 175.8 | 0 | 0 | 0 | 109.7 | ||||
| 566 | N | 29.1 | Very low | 33.1 | Very low | 126 Ų | 126 | 152.8 Ų | 152.8 | 67% | 0.674 | 73% | 0.728 | S | S | * | * | trans | -75.7 | 133.5 | 161.7 | -83.5 | 8.2 | 0 | 0 | 0 | 108.9 | H564 Y568 | H564-N566 PolarHBondContact O-N 3.32Å; N566-Y568 PolarHBondContact O-N 3.35Å | ||
| 567 | H | 27.2 | Very low | 34.5 | Very low | 157 Ų | 157 | 146 Ų | 146 | 73% | 0.727 | 71% | 0.706 | S | S | * | * | trans | -66.4 | 97.9 | -172.5 | -80.1 | 32 | 0 | 0 | 0 | 111.7 | H569 | H567-H569 PolarHBondContact O-N 2.77Š| ||
| 568 | Y | 28.5 | Very low | 36.5 | Very low | 162 Ų | 162 | 144.4 Ų | 144.4 | 64% | 0.635 | 69% | 0.688 | S | S | * | * | trans | -66.5 | 89 | 161.3 | -75.9 | -77.8 | 0 | 0 | 0 | 109 | N566 Y570 K874 | N566-Y568 PolarHBondContact O-N 3.35Å; Y568-Y570 VanDerWaalsContact C-N 3.25Å; Y568-Y570 PolarHBondContact O-N 3.39Å; Y568-K874 PolarHBondContact OH-NZ 2.59Å | ||
| 569 | H | 30 | Very low | 38.2 | Very low | 160 Ų | 160 | 140.7 Ų | 140.7 | 74% | 0.741 | 67% | 0.671 | S | S | * | * | trans | -60.3 | 92.9 | 161.8 | -82.6 | -96.4 | 0 | 0 | 0 | 108.3 | H567 K571 | H567-H569 PolarHBondContact O-N 2.77Å; H569-K571 VanDerWaalsContact C-N 3.32Å; H569-K571 PolarHBondContact O-N 3.09Å | ||
| 570 | Y | 32.3 | Very low | 40.3 | Very low | 223 Ų | 223 | 131.9 Ų | 131.9 | 88% | 0.875 | 63% | 0.63 | S | S | * | * | trans | -51.8 | 101 | 160.4 | -90.1 | -95 | 0 | 0 | 0 | 107.4 | Y568 R572 | Y568-Y570 VanDerWaalsContact C-N 3.25Å; Y568-Y570 PolarHBondContact O-N 3.39Å; Y570-R572 PolarHBondContact O-N 3.1Å; Y570-R572 VanDerWaalsContact O-N 3.1Å | ||
| 571 | K | 35.4 | Very low | 42.5 | Very low | 204 Ų | 204 | 126.8 Ų | 126.8 | 89% | 0.887 | 61% | 0.61 | S | S | * | * | trans | -51 | 123.6 | 179 | -98.6 | -171.6 | 174.6 | -177.2 | 0 | 107.1 | H569 S573 | H569-K571 VanDerWaalsContact C-N 3.32Å; H569-K571 PolarHBondContact O-N 3.09Å; K571-S573 PolarHBondContact O-N 2.91Å | ||
| 572 | R | 34 | Very low | 45.1 | Very low | 186 Ų | 186 | 121 Ų | 121 | 70% | 0.702 | 58% | 0.583 | S | S | * | * | trans | -52.6 | 112.2 | -171.8 | -161.8 | -177.9 | -139.3 | -134.1 | 9.4 | 107.3 | Y570 R574 | Y570-R572 PolarHBondContact O-N 3.1Å; Y570-R572 VanDerWaalsContact O-N 3.1Å; R572-R574 PolarHBondContact O-N 3.33Å | ||
| 573 | S | 40.9 | Very low | 47.9 | Very low | 86 Ų | 86 | 115.2 Ų | 115.2 | 60% | 0.601 | 55% | 0.546 | S | S | * | . | P | Polyproline II helix | trans | -49.1 | 118 | -177.9 | 37.1 | 0 | 0 | 0 | 0 | 109.2 | K571 | K571-S573 PolarHBondContact O-N 2.91Š|
| 574 | R | 40.8 | Very low | 50.5 | Low | 135 Ų | 135 | 110 Ų | 110 | 51% | 0.509 | 52% | 0.52 | S | S | . | . | P | Polyproline II helix | trans | -56.2 | 139.3 | -177.9 | -80.2 | -179 | 166.4 | 159.8 | -7.2 | 108.1 | R572 | R572-R574 PolarHBondContact O-N 3.33Š|
| 575 | P | 47.4 | Very low | 53 | Low | 117 Ų | 117 | 102 Ų | 102 | 76% | 0.76 | 48% | 0.483 | S | S | * | . | P | Polyproline II helix | trans | -58.7 | 143.3 | 176.6 | 27.5 | -34.4 | 0 | 0 | 0 | 109.3 | P577 | P575-P577 VanDerWaalsContact O-CD 3.26Å; P575-P577 WeakPolarHBondContact O-CD 2.93Å |
| 576 | I | 60.7 | Low | 55.7 | Low | 82 Ų | 82 | 95.6 Ų | 95.6 | 42% | 0.421 | 45% | 0.451 | S | S | . | . | P | Polyproline II helix | trans | -65.6 | 120.5 | 177.3 | -60.4 | 175.8 | 0 | 0 | 0 | 107.8 | F580 L581 | I576-F580 HydrophobicContact CG2-CB 3.72Å; I576-F580 HydrophobicContact CG2-CD2 3.81Å; I576-F580 HydrophobicContact CG2-CG 4.3Å; I576-L581 HydrophobicContact CG2-CD2 4.02Å; I576-L581 HydrophobicContact CG2-CG 4.28Å |
| 577 | P | 63.6 | Low | 58.4 | Low | 41 Ų | 41 | 89.9 Ų | 89.9 | 27% | 0.266 | 42% | 0.42 | S | S | . | . | P | Polyproline II helix | trans | -49.7 | 141.1 | 175.3 | -31.7 | 36.1 | 0 | 0 | 0 | 113.6 | P575 V579 F580 | P575-P577 VanDerWaalsContact O-CD 3.26Å; P575-P577 WeakPolarHBondContact O-CD 2.93Å; P577-V579 VanDerWaalsContact C-N 3.26Å; P577-V579 PolarHBondContact O-N 3.21Å; P577-F580 HydrophobicContact CB-CD2 3.85Å; P577-F580 HydrophobicContact CB-CE2 3.74Å; P577-F580 HydrophobicContact CB-CG 4.45Å; P577-F580 HydrophobicContact CB-CZ 4.27Å; P577-F580 HydrophobicContact CG-CD2 3.95Å; P577-F580 HydrophobicContact CG-CE2 3.52Å; P577-F580 HydrophobicContact CG-CZ 4.26Å; P577-F580 VanDerWaalsContact O-CB 3.29Å; P577-F580 WeakPolarHBondContact O-CB 3.28Å; P577-F580 PolarHBondContact O-N 3.47Å |
| 578 | E | 69.8 | Low | 61.3 | Low | 91 Ų | 91 | 82.5 Ų | 82.5 | 43% | 0.425 | 39% | 0.386 | S | S | . | . | G | 310 helix | trans | -63.6 | -29.2 | -168.5 | -169.7 | -179.8 | 162.3 | 0 | 0 | 113.7 | H497 F580 L581 | H497-E578 IonicContact CE1-OE1 2.63Å; H497-E578 PolarHBondContact CE1-OE1 2.7Å; H497-E578 IonicContact CE1-OE2 3.68Å; H497-E578 PolarHBondContact CE1-OE2 3.2Å; H497-E578 VanDerWaalsContact CE1-OE2 3.3Å; H497-E578 VanDerWaalsContact ND1-CD 3.34Å; H497-E578 IonicContact ND1-OE1 2.63Å; H497-E578 PolarHBondContact ND1-OE1 3.17Å; H497-E578 IonicContact ND1-OE2 2.74Å; E578-F580 PolarHBondContact O-N 2.8Å; E578-L581 PolarHBondContact O-N 2.82Å |
| 579 | V | 71.2 | Confident | 64.1 | Low | 47 Ų | 47 | 76.6 Ų | 76.6 | 29% | 0.285 | 37% | 0.365 | S | S | . | . | G | 310 helix | trans | -54.4 | -36.1 | 174.7 | 173.9 | 0 | 0 | 0 | 0 | 111.7 | P577 L581 R582 | P577-V579 VanDerWaalsContact C-N 3.26Å; P577-V579 PolarHBondContact O-N 3.21Å; V579-L581 PolarHBondContact O-N 3.02Å; V579-R582 PolarHBondContact O-N 3.21Å |
| 580 | F | 71.1 | Confident | 66.8 | Low | 4 Ų | 4 | 69 Ų | 69 | 2% | 0.018 | 33% | 0.329 | C | S | . | . | G | 310 helix | trans | -75.3 | -3.1 | -179 | -58.8 | -21.3 | 0 | 0 | 0 | 114.9 | W539 I576 P577 E578 S585 G688 E691 P693 | W539-F580 AromaticContact CD1-CG 3.66Å; W539-F580 HydrophobicContact CD2-CD2 4.41Å; W539-F580 HydrophobicContact CD2-CG 4.5Å; W539-F580 AromaticContact CE2-CD1 3.85Å; W539-F580 AromaticContact CE2-CD2 3.88Å; W539-F580 AromaticContact CE2-CG 3.77Å; W539-F580 HydrophobicContact CG-CB 4.28Å; W539-F580 HydrophobicContact CG-CG 4.45Å; W539-F580 HydrophobicContact CZ2-CD1 4.17Å; W539-F580 HydrophobicContact CZ2-CD2 4.35Å; W539-F580 AromaticContact CZ2-CE1 3.92Å; W539-F580 HydrophobicContact CZ2-CE1 3.92Å; W539-F580 HydrophobicContact CZ2-CE2 4.13Å; W539-F580 HydrophobicContact CZ2-CG 4.41Å; W539-F580 AromaticContact CZ2-CZ 3.93Å; W539-F580 HydrophobicContact CZ2-CZ 3.93Å; W539-F580 AromaticContact NE1-CD1 3.18Å; W539-F580 AromaticContact NE1-CD2 3.67Å; W539-F580 AromaticContact NE1-CE1 3.83Å; W539-F580 AromaticContact NE1-CG 3.1Å; I576-F580 HydrophobicContact CG2-CB 3.72Å; I576-F580 HydrophobicContact CG2-CD2 3.81Å; I576-F580 HydrophobicContact CG2-CG 4.3Å; P577-F580 HydrophobicContact CB-CD2 3.85Å; P577-F580 HydrophobicContact CB-CE2 3.74Å; P577-F580 HydrophobicContact CB-CG 4.45Å; P577-F580 HydrophobicContact CB-CZ 4.27Å; P577-F580 HydrophobicContact CG-CD2 3.95Å; P577-F580 HydrophobicContact CG-CE2 3.52Å; P577-F580 HydrophobicContact CG-CZ 4.26Å; P577-F580 VanDerWaalsContact O-CB 3.29Å; P577-F580 WeakPolarHBondContact O-CB 3.28Å; P577-F580 PolarHBondContact O-N 3.47Å; E578-F580 PolarHBondContact O-N 2.8Å; F580-S585 PolarHBondContact O-OG 3.12Å; F580-G688 VanDerWaalsContact CE1-O 3.23Å; F580-G688 WeakPolarHBondContact CE1-O 3.39Å; F580-G688 WeakPolarHBondContact CZ-O 3.42Å; F580-E691 HydrophobicContact CZ-CB 4.08Å; F580-P693 HydrophobicContact CD2-CG 3.91Å; F580-P693 HydrophobicContact CE2-CG 3.75Å |
| 581 | L | 77.3 | Confident | 69.3 | Low | 63 Ų | 63 | 58.6 Ų | 58.6 | 33% | 0.33 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -113.1 | 0.1 | -179.9 | -53.6 | 175.2 | 0 | 0 | 0 | 111.7 | R494 I576 E578 V579 | R494-L581 WeakPolarHBondContact CD-O 3.3Å; R494-L581 WeakPolarHBondContact CG-O 3.34Å; R494-L581 VanDerWaalsContact CZ-CB 3.49Å; R494-L581 PolarHBondContact NE-O 2.91Å; R494-L581 VanDerWaalsContact NE-O 3.1Å; I576-L581 HydrophobicContact CG2-CD2 4.02Å; I576-L581 HydrophobicContact CG2-CG 4.28Å; E578-L581 PolarHBondContact O-N 2.82Å; V579-L581 PolarHBondContact O-N 3.02Å |
| 582 | R | 81 | Confident | 71.6 | Confident | 68 Ų | 68 | 48.9 Ų | 48.9 | 26% | 0.257 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -75.6 | 151.6 | 175.2 | -61.3 | -176.3 | -171.1 | -166 | 8.9 | 111 | D507 V579 S584 S585 | D507-R582 PolarHBondContact O-NH1 2.86Å; V579-R582 PolarHBondContact O-N 3.21Å; R582-S584 PolarHBondContact O-N 3.04Å; R582-S584 VanDerWaalsContact O-N 3.11Å; R582-S585 WeakPolarHBondContact O-CB 3.48Å; R582-S585 PolarHBondContact O-N 2.9Å; R582-S585 PolarHBondContact O-OG 2.9Å |
| 583 | P | 84.5 | Confident | 73.9 | Confident | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.006 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -61.8 | -23.9 | -179.3 | -20.1 | 32.4 | 0 | 0 | 0 | 113.5 | L489 D491 S585 L586 | L489-P583 HydrophobicContact CB-CB 4.13Å; D491-P583 HydrophobicContact CB-CG 3.86Å; P583-S585 PolarHBondContact O-N 3.12Å; P583-L586 HydrophobicContact CB-CD1 4.42Å; P583-L586 WeakPolarHBondContact O-CB 3.37Å; P583-L586 WeakPolarHBondContact O-CG 3.49Å; P583-L586 PolarHBondContact O-N 2.81Å; P583-L586 VanDerWaalsContact O-N 3.13Å |
| 584 | S | 82.4 | Confident | 75.8 | Confident | 33 Ų | 33 | 37.6 Ų | 37.6 | 23% | 0.231 | 19% | 0.191 | C | C | . | . | G | 310 helix | trans | -67.4 | -10.2 | 174.3 | 53.7 | 0 | 0 | 0 | 0 | 115.2 | Q2 S512 R582 | Q2-S584 PolarHBondContact NE2-O 3.36Å; S512-S584 WeakPolarHBondContact OG-CB 3.36Å; S512-S584 PolarHBondContact OG-N 3.46Å; R582-S584 PolarHBondContact O-N 3.04Å; R582-S584 VanDerWaalsContact O-N 3.11Å |
| 585 | S | 79.3 | Confident | 77.6 | Confident | 2 Ų | 2 | 31.8 Ų | 31.8 | 1% | 0.014 | 17% | 0.17 | C | C | . | . | G | 310 helix | trans | -91.8 | -1.8 | 172.3 | 71.5 | 0 | 0 | 0 | 0 | 114 | F538 F580 R582 P583 | F538-S585 PolarHBondContact N-O 3.24Å; F580-S585 PolarHBondContact O-OG 3.12Å; R582-S585 WeakPolarHBondContact O-CB 3.48Å; R582-S585 PolarHBondContact O-N 2.9Å; R582-S585 PolarHBondContact O-OG 2.9Å; P583-S585 PolarHBondContact O-N 3.12Å |
| 586 | L | 83.9 | Confident | 78.8 | Confident | 20 Ų | 20 | 28.9 Ų | 28.9 | 11% | 0.105 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 140 | 172.8 | -58 | 171 | 0 | 0 | 0 | 110 | Q2 L473 L489 L535 P583 | Q2-L586 PolarHBondContact NE2-O 3.36Å; L473-L586 HydrophobicContact CD2-CD1 3.99Å; L489-L586 HydrophobicContact CD1-CD1 4.14Å; L535-L586 HydrophobicContact CD1-CB 4.27Å; L535-L586 HydrophobicContact CD1-CD1 4.12Å; P583-L586 HydrophobicContact CB-CD1 4.42Å; P583-L586 WeakPolarHBondContact O-CB 3.37Å; P583-L586 WeakPolarHBondContact O-CG 3.49Å; P583-L586 PolarHBondContact O-N 2.81Å; P583-L586 VanDerWaalsContact O-N 3.13Å |
| 587 | S | 85.3 | Confident | 78.5 | Confident | 5 Ų | 5 | 28.5 Ų | 28.5 | 4% | 0.035 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 149.7 | 162.6 | -48.2 | 0 | 0 | 0 | 0 | 108.5 | M536 R541 F640 S642 E645 | M536-S587 PolarHBondContact N-O 3.17Å; M536-S587 PolarHBondContact O-N 3.24Å; R541-S587 VanDerWaalsContact NH2-CB 3.29Å; R541-S587 PolarHBondContact NH2-OG 3.04Å; S587-F640 CarbonylContact C-O 3.57Å; S587-F640 VanDerWaalsContact CA-O 3.22Å; S587-F640 WeakPolarHBondContact CA-O 3.36Å; S587-F640 VanDerWaalsContact CB-O 3.27Å; S587-F640 WeakPolarHBondContact CB-O 3.38Å; S587-S642 WeakPolarHBondContact OG-CB 3.32Å; S587-S642 PolarHBondContact OG-N 2.78Å; S587-S642 PolarHBondContact OG-OG 3.01Å; S587-S642 VanDerWaalsContact OG-OG 3.09Å; S587-E645 WeakPolarHBondContact CB-OE2 3.14Å; S587-E645 PolarHBondContact OG-OE2 2.69Å |
| 588 | F | 87.3 | Confident | 77.8 | Confident | 2 Ų | 2 | 31.1 Ų | 31.1 | 1% | 0.009 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.3 | 169.2 | -178.7 | 55.6 | -85.7 | 0 | 0 | 0 | 111.9 | I487 L489 F514 L530 L535 F640 | I487-F588 HydrophobicContact CD1-CE2 4.3Å; L489-F588 HydrophobicContact CD1-CD1 4.03Å; L489-F588 HydrophobicContact CD1-CE1 3.62Å; L489-F588 HydrophobicContact CD1-CZ 4.22Å; F514-F588 HydrophobicContact CD2-CE1 4.19Å; F514-F588 AromaticContact CD2-CZ 3.81Å; F514-F588 HydrophobicContact CD2-CZ 3.81Å; F514-F588 HydrophobicContact CE2-CE1 4.02Å; F514-F588 HydrophobicContact CE2-CZ 4.09Å; F514-F588 HydrophobicContact CG-CZ 4.16Å; F514-F588 HydrophobicContact CZ-CE1 4.24Å; L530-F588 HydrophobicContact CD1-CD2 3.58Å; L530-F588 HydrophobicContact CD1-CE2 3.65Å; L530-F588 HydrophobicContact CD1-CG 4.23Å; L530-F588 HydrophobicContact CD1-CZ 4.38Å; L530-F588 HydrophobicContact CD2-CB 4.32Å; L530-F588 HydrophobicContact CD2-CD2 4.25Å; L530-F588 HydrophobicContact CG-CD2 3.71Å; L530-F588 HydrophobicContact CG-CE2 4.2Å; L530-F588 HydrophobicContact CG-CG 4.41Å; L535-F588 HydrophobicContact CD1-CB 3.93Å; L535-F588 HydrophobicContact CD1-CD1 4.2Å; L535-F588 HydrophobicContact CD1-CG 4.31Å; F588-F640 HydrophobicContact CD1-CB 4.07Å; F588-F640 HydrophobicContact CD2-CB 4.12Å; F588-F640 AromaticContact CD2-CD2 3.84Å; F588-F640 HydrophobicContact CD2-CD2 3.84Å; F588-F640 HydrophobicContact CD2-CG 4.3Å; F588-F640 HydrophobicContact CE1-CB 3.76Å; F588-F640 HydrophobicContact CE1-CG 4.23Å; F588-F640 HydrophobicContact CE2-CB 3.84Å; F588-F640 AromaticContact CE2-CD2 3.25Å; F588-F640 HydrophobicContact CE2-CD2 3.25Å; F588-F640 AromaticContact CE2-CE2 3.95Å; F588-F640 HydrophobicContact CE2-CE2 3.95Å; F588-F640 AromaticContact CE2-CG 3.65Å; F588-F640 HydrophobicContact CE2-CG 3.65Å; F588-F640 HydrophobicContact CG-CB 4.23Å; F588-F640 HydrophobicContact CZ-CB 3.64Å; F588-F640 HydrophobicContact CZ-CD1 4.28Å; F588-F640 AromaticContact CZ-CD2 3.71Å; F588-F640 HydrophobicContact CZ-CD2 3.71Å; F588-F640 HydrophobicContact CZ-CE2 4.46Å; F588-F640 AromaticContact CZ-CG 3.6Å; F588-F640 HydrophobicContact CZ-CG 3.6Å; F588-F640 PolarHBondContact N-O 2.99Å; F588-F640 PolarHBondContact O-N 2.84Å |
| 589 | H | 87.1 | Confident | 76.5 | Confident | 39 Ų | 39 | 31.3 Ų | 31.3 | 18% | 0.181 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 148.7 | 172.7 | -55.5 | -41.5 | 0 | 0 | 0 | 111.4 | I531 S534 R637 I638 M639 | I531-H589 HydrophobicContact CB-CB 4.33Å; I531-H589 HydrophobicContact CD1-CB 3.96Å; I531-H589 HydrophobicContact CG1-CB 4.33Å; I531-H589 PolarHBondContact N-O 3.33Å; S534-H589 WeakPolarHBondContact CB-CD2 3.3Å; S534-H589 WeakPolarHBondContact OG-CB 3.32Å; S534-H589 PolarHBondContact OG-N 3.11Å; H589-R637 HydrophobicContact CB-CG 4.19Å; H589-R637 PolarHBondContact CD2-NE 3.37Å; H589-R637 PolarHBondContact CD2-NH2 2.88Å; H589-R637 PolarHBondContact NE2-NH2 3.03Å; H589-I638 CarbonylContact C-O 3.6Å; H589-I638 WeakPolarHBondContact CA-O 3.18Å; H589-M639 PolarHBondContact CE1-SD 2.87Å; H589-M639 WeakPolarHBondContact ND1-CG 3.42Å |
| 590 | C | 86.7 | Confident | 74.6 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 126.7 | -178.7 | -147.3 | 0 | 0 | 0 | 0 | 109.8 | I487 T528 Y529 R637 I638 F640 | I487-C590 HydrophobicContact CD1-CB 4.31Å; I487-C590 VanDerWaalsContact CD1-SG 3.52Å; T528-C590 WeakPolarHBondContact CG2-SG 3.31Å; Y529-C590 CarbonylContact O-C 3.53Å; Y529-C590 WeakPolarHBondContact O-CA 3.45Å; Y529-C590 PolarHBondContact O-SG 2.89Å; C590-R637 CarbonylContact O-C 3.54Å; C590-R637 WeakPolarHBondContact O-CA 3.36Å; C590-I638 PolarHBondContact N-O 2.96Å; C590-I638 PolarHBondContact O-N 3.17Å; C590-F640 HydrophobicContact CB-CD2 4.25Å; C590-F640 HydrophobicContact CB-CE2 3.96Å |
| 591 | L | 85.2 | Confident | 72.7 | Confident | 4 Ų | 4 | 43.2 Ų | 43.2 | 2% | 0.021 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 120.2 | 175.4 | -63.5 | 176.9 | 0 | 0 | 0 | 109.1 | L9 F31 T528 Y529 I531 L635 R637 | L9-L591 HydrophobicContact CD1-CD2 3.51Å; F31-L591 HydrophobicContact CD1-CD1 3.82Å; F31-L591 HydrophobicContact CE1-CB 4.03Å; F31-L591 HydrophobicContact CE1-CD1 3.6Å; F31-L591 HydrophobicContact CE1-CG 4.47Å; F31-L591 HydrophobicContact CZ-CB 4.32Å; T528-L591 CarbonylContact C-O 3.46Å; T528-L591 WeakPolarHBondContact CA-O 3.06Å; Y529-L591 PolarHBondContact N-O 3.23Å; Y529-L591 PolarHBondContact O-N 2.78Å; I531-L591 HydrophobicContact CD1-CD1 4.28Å; I531-L591 HydrophobicContact CD1-CD2 4.05Å; I531-L591 HydrophobicContact CD1-CG 3.89Å; I531-L591 HydrophobicContact CG1-CD1 4.35Å; I531-L591 HydrophobicContact CG1-CG 4.04Å; L591-L635 HydrophobicContact CB-CD1 4.38Å; L591-L635 HydrophobicContact CD2-CD2 4.49Å; L591-R637 HydrophobicContact CD2-CB 4.28Å |
| 592 | L | 84.8 | Confident | 70.2 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 135.8 | 170.3 | -86.6 | 69.9 | 0 | 0 | 0 | 109.6 | A516 I518 L525 T528 S636 I638 | A516-L592 HydrophobicContact CB-CD1 4.24Å; A516-L592 HydrophobicContact CB-CD2 4.15Å; I518-L592 HydrophobicContact CD1-CD2 4.02Å; I518-L592 HydrophobicContact CG1-CD2 3.81Å; L525-L592 HydrophobicContact CD1-CD2 4.07Å; L525-L592 HydrophobicContact CD2-CG 4.45Å; T528-L592 HydrophobicContact CG2-CD1 4.06Å; L592-S636 PolarHBondContact N-O 2.98Å; L592-S636 PolarHBondContact O-N 2.85Å; L592-I638 HydrophobicContact CD1-CB 4.22Å; L592-I638 HydrophobicContact CD1-CD1 3.79Å; L592-I638 HydrophobicContact CD1-CG1 3.96Å; L592-I638 HydrophobicContact CD2-CD1 3.65Å; L592-I638 HydrophobicContact CD2-CG1 4.41Å; L592-I638 HydrophobicContact CG-CD1 4.36Å |
| 593 | F | 80.9 | Confident | 67.6 | Low | 5 Ų | 5 | 49.3 Ų | 49.3 | 2% | 0.022 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 121.2 | 174.6 | -169.3 | -104.5 | 0 | 0 | 0 | 110.5 | I29 L40 L526 H527 Y633 L635 | I29-F593 HydrophobicContact CD1-CB 3.91Å; I29-F593 HydrophobicContact CD1-CD1 3.89Å; I29-F593 HydrophobicContact CD1-CD2 3.6Å; I29-F593 HydrophobicContact CD1-CE1 4.29Å; I29-F593 HydrophobicContact CD1-CE2 4.01Å; I29-F593 HydrophobicContact CD1-CG 3.51Å; I29-F593 HydrophobicContact CD1-CZ 4.33Å; I29-F593 HydrophobicContact CG2-CD1 4.37Å; L40-F593 HydrophobicContact CD1-CE2 4.06Å; L40-F593 HydrophobicContact CD1-CZ 3.62Å; L40-F593 HydrophobicContact CD2-CD1 4.32Å; L40-F593 HydrophobicContact CD2-CE1 3.4Å; L40-F593 VanDerWaalsContact CD2-CE1 3.4Å; L40-F593 HydrophobicContact CD2-CE2 4.06Å; L40-F593 HydrophobicContact CD2-CZ 3.23Å; L40-F593 HydrophobicContact CG-CZ 4.03Å; L526-F593 HydrophobicContact CB-CD1 4.24Å; L526-F593 HydrophobicContact CD1-CD1 3.97Å; L526-F593 HydrophobicContact CD1-CE1 3.94Å; L526-F593 PolarHBondContact N-O 3.01Å; H527-F593 PolarHBondContact N-O 3.13Å; H527-F593 PolarHBondContact O-N 3.31Å; F593-Y633 HydrophobicContact CD1-CD1 4.44Å; F593-Y633 AromaticContact CE1-CD1 3.55Å; F593-Y633 HydrophobicContact CE1-CD1 3.55Å; F593-Y633 HydrophobicContact CE1-CD2 4.47Å; F593-Y633 HydrophobicContact CE1-CE1 4.26Å; F593-Y633 AromaticContact CE1-CG 3.73Å; F593-Y633 HydrophobicContact CE1-CG 3.73Å; F593-Y633 HydrophobicContact CE2-CG 4.29Å; F593-Y633 AromaticContact CZ-CD1 3.72Å; F593-Y633 HydrophobicContact CZ-CD1 3.72Å; F593-Y633 HydrophobicContact CZ-CD2 4.08Å; F593-Y633 AromaticContact CZ-CG 3.38Å; F593-Y633 HydrophobicContact CZ-CG 3.38Å; F593-L635 HydrophobicContact CB-CD1 4.34Å; F593-L635 HydrophobicContact CD2-CD1 3.9Å |
| 594 | W | 81.2 | Confident | 64.8 | Low | 31 Ų | 31 | 56.9 Ų | 56.9 | 12% | 0.117 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 161.7 | -168.1 | 61.7 | -84.4 | 0 | 0 | 0 | 113.2 | I518 V523 H634 S636 | I518-W594 HydrophobicContact CD1-CB 3.67Å; I518-W594 HydrophobicContact CD1-CD2 4.03Å; I518-W594 HydrophobicContact CD1-CG 3.52Å; V523-W594 HydrophobicContact CB-CE3 4.14Å; V523-W594 HydrophobicContact CG1-CB 3.65Å; V523-W594 HydrophobicContact CG1-CD2 3.8Å; V523-W594 HydrophobicContact CG1-CE3 3.38Å; V523-W594 HydrophobicContact CG1-CG 3.99Å; V523-W594 HydrophobicContact CG1-CZ3 4.23Å; V523-W594 HydrophobicContact CG2-CE3 3.61Å; V523-W594 HydrophobicContact CG2-CZ3 3.56Å; W594-H634 HydrophobicContact CD2-CB 3.7Å; W594-H634 HydrophobicContact CE3-CB 4.14Å; W594-H634 AromaticContact CE3-CD2 3.75Å; W594-H634 HydrophobicContact CG-CB 4.2Å; W594-H634 HydrophobicContact CH2-CB 4.1Å; W594-H634 AromaticContact CH2-CD2 3.68Å; W594-H634 AromaticContact CH2-CG 3.88Å; W594-H634 HydrophobicContact CZ2-CB 3.61Å; W594-H634 AromaticContact CZ2-CG 3.89Å; W594-H634 HydrophobicContact CZ3-CB 4.33Å; W594-H634 AromaticContact CZ3-CD2 3.47Å; W594-H634 VanDerWaalsContact CZ3-CD2 3.47Å; W594-H634 WeakPolarHBondContact CZ3-CD2 3.44Å; W594-H634 PolarHBondContact N-O 2.95Å; W594-H634 PolarHBondContact O-N 3.36Å; W594-S636 PolarHBondContact NE1-OG 2.8Å |
| 595 | T | 79.3 | Confident | 62.1 | Low | 12 Ų | 12 | 62.2 Ų | 62.2 | 7% | 0.074 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 153 | 173.6 | -176.1 | 0 | 0 | 0 | 0 | 110.4 | V523 Q524 V632 Y633 | V523-T595 WeakPolarHBondContact CA-O 3.37Å; Q524-T595 HydrophobicContact CB-CG2 3.91Å; Q524-T595 PolarHBondContact N-O 3.14Å; Q524-T595 PolarHBondContact O-N 2.95Å; Q524-T595 VanDerWaalsContact O-N 3.1Å; T595-V632 PolarHBondContact OG1-O 2.79Å; T595-Y633 HydrophobicContact CG2-CD1 4.43Å; T595-Y633 HydrophobicContact CG2-CE1 3.88Å |
| 596 | N | 71.7 | Confident | 59.4 | Low | 57 Ų | 57 | 69 Ų | 69 | 31% | 0.305 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 140.1 | 162 | -63 | -70.7 | 0 | 0 | 0 | 108.6 | T598 H634 | N596-T598 PolarHBondContact O-N 3.36Å; N596-T598 VanDerWaalsContact O-N 3.07Å; N596-H634 PolarHBondContact ND2-NE2 3.26Å |
| 597 | D | 56 | Low | 56.7 | Low | 73 Ų | 73 | 77.4 Ų | 77.4 | 39% | 0.39 | 41% | 0.411 | S | S | . | . | trans | -74 | 99.4 | 172.8 | -82.6 | -45.4 | 0 | 0 | 0 | 109.8 | K522 Q524 S599 | K522-D597 PolarHBondContact O-N 3.44Å; Q524-D597 PolarHBondContact NE2-OD1 3.21Å; D597-S599 PolarHBondContact O-N 3.25Å | ||
| 598 | T | 48.5 | Very low | 53.8 | Low | 96 Ų | 96 | 81.9 Ų | 81.9 | 59% | 0.589 | 44% | 0.443 | S | S | * | . | trans | -79 | 19 | 174.8 | 50.6 | 0 | 0 | 0 | 0 | 113.1 | N596 N600 | N596-T598 PolarHBondContact O-N 3.36Å; N596-T598 VanDerWaalsContact O-N 3.07Å; T598-N600 PolarHBondContact O-N 2.83Å | ||
| 599 | S | 41.4 | Very low | 50.8 | Low | 96 Ų | 96 | 88.9 Ų | 88.9 | 67% | 0.671 | 48% | 0.479 | S | S | * | . | trans | -72.5 | 40.4 | 172.9 | 68.6 | 0 | 0 | 0 | 0 | 112.9 | D597 | D597-S599 PolarHBondContact O-N 3.25Š| ||
| 600 | N | 30.9 | Very low | 48 | Very low | 125 Ų | 125 | 92.9 Ų | 92.9 | 67% | 0.668 | 51% | 0.506 | S | S | * | . | trans | -118.2 | 74.2 | 174.9 | -131.3 | 33.8 | 0 | 0 | 0 | 107.8 | T598 N602 | T598-N600 PolarHBondContact O-N 2.83Å; N600-N602 PolarHBondContact O-N 3.46Å | ||
| 601 | H | 31.5 | Very low | 45.1 | Very low | 176 Ų | 176 | 100.1 Ų | 100.1 | 82% | 0.815 | 54% | 0.54 | S | S | * | . | trans | -64.5 | 75.9 | 169.4 | -75.7 | -65.9 | 0 | 0 | 0 | 110.3 | ||||
| 602 | N | 26.3 | Very low | 42.5 | Very low | 168 Ų | 168 | 105.9 Ų | 105.9 | 90% | 0.898 | 58% | 0.577 | S | S | * | * | trans | -173.6 | 43.6 | 162.8 | -96 | -23 | 0 | 0 | 0 | 113 | N600 | N600-N602 PolarHBondContact O-N 3.46Š| ||
| 603 | S | 24.4 | Very low | 39.8 | Very low | 90 Ų | 90 | 111.9 Ų | 111.9 | 63% | 0.629 | 61% | 0.61 | S | S | * | * | trans | -128.5 | 110.8 | 162.4 | 60.2 | 0 | 0 | 0 | 0 | 109.9 | L605 | S603-L605 PolarHBondContact O-N 3.47Š| ||
| 604 | I | 25.7 | Very low | 37.2 | Very low | 160 Ų | 160 | 121.9 Ų | 121.9 | 82% | 0.821 | 65% | 0.647 | S | S | * | * | trans | -72.2 | 96.4 | 177.6 | -59.7 | 170.7 | 0 | 0 | 0 | 108.2 | ||||
| 605 | L | 27.2 | Very low | 34.9 | Very low | 146 Ų | 146 | 130 Ų | 130 | 76% | 0.764 | 69% | 0.686 | S | S | * | * | trans | -84.6 | 114.6 | 164.8 | -71.2 | 175.1 | 0 | 0 | 0 | 108.3 | S603 F607 | S603-L605 PolarHBondContact O-N 3.47Å; L605-F607 PolarHBondContact O-N 2.87Å | ||
| 606 | N | 22.9 | Very low | 32.3 | Very low | 143 Ų | 143 | 140.5 Ų | 140.5 | 77% | 0.765 | 72% | 0.724 | S | S | * | * | trans | -65.2 | 115.9 | 179.3 | -74.3 | -34.5 | 0 | 0 | 0 | 110.4 | S608 | N606-S608 VanDerWaalsContact C-N 3.32Å; N606-S608 PolarHBondContact O-N 3.06Å | ||
| 607 | F | 26.9 | Very low | 30.4 | Very low | 197 Ų | 197 | 144.6 Ų | 144.6 | 86% | 0.864 | 75% | 0.751 | S | S | * | * | trans | -70.3 | 88.9 | 165.9 | -87.2 | -87.9 | 0 | 0 | 0 | 109.9 | L605 I609 | L605-F607 PolarHBondContact O-N 2.87Å; F607-I609 PolarHBondContact O-N 3.17Å | ||
| 608 | S | 23.1 | Very low | 29 | Very low | 99 Ų | 99 | 147.3 Ų | 147.3 | 69% | 0.692 | 77% | 0.771 | S | S | * | * | trans | -70.5 | 95.2 | 168.8 | 54.9 | 0 | 0 | 0 | 0 | 110 | N606 T610 | N606-S608 VanDerWaalsContact C-N 3.32Å; N606-S608 PolarHBondContact O-N 3.06Å; S608-T610 VanDerWaalsContact C-N 3.35Å; S608-T610 PolarHBondContact O-N 3.03Å | ||
| 609 | I | 25.8 | Very low | 28.2 | Very low | 149 Ų | 149 | 149.4 Ų | 149.4 | 76% | 0.764 | 78% | 0.784 | S | S | * | * | trans | -69.8 | 90.7 | 174.1 | -58.3 | 176.5 | 0 | 0 | 0 | 109.2 | F607 Q611 | F607-I609 PolarHBondContact O-N 3.17Å; I609-Q611 HydrophobicContact CG2-CG 4.4Å; I609-Q611 PolarHBondContact O-N 2.94Å | ||
| 610 | T | 27.8 | Very low | 27.6 | Very low | 123 Ų | 123 | 151.5 Ų | 151.5 | 76% | 0.755 | 79% | 0.793 | S | S | * | * | trans | -76.9 | 97.2 | 168.3 | 50.1 | 0 | 0 | 0 | 0 | 109.3 | S608 P612 | S608-T610 VanDerWaalsContact C-N 3.35Å; S608-T610 PolarHBondContact O-N 3.03Å; T610-P612 WeakPolarHBondContact O-CD 3.35Å | ||
| 611 | Q | 25 | Very low | 27.6 | Very low | 152 Ų | 152 | 151.2 Ų | 151.2 | 71% | 0.71 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 124.8 | 176.9 | -63.9 | 175.4 | -17.7 | 0 | 0 | 111.5 | I609 | I609-Q611 HydrophobicContact CG2-CG 4.4Å; I609-Q611 PolarHBondContact O-N 2.94Å |
| 612 | P | 31.4 | Very low | 27.5 | Very low | 125 Ų | 125 | 149.7 Ų | 149.7 | 81% | 0.812 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -71 | 128.7 | 153.1 | 30.4 | -30.7 | 0 | 0 | 0 | 108.4 | T610 | T610-P612 WeakPolarHBondContact O-CD 3.35Š|
| 613 | N | 29 | Very low | 27.7 | Very low | 126 Ų | 126 | 146.8 Ų | 146.8 | 67% | 0.674 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 133.6 | -175.2 | -111.1 | -72.1 | 0 | 0 | 0 | 112.1 | ||
| 614 | R | 26.1 | Very low | 28.3 | Very low | 216 Ų | 216 | 146.1 Ų | 146.1 | 82% | 0.815 | 78% | 0.781 | S | S | * | * | trans | 47.9 | 108.3 | 152.1 | -60.6 | 171.4 | -179.1 | -177.9 | -1.6 | 117.5 | ||||
| 615 | H | 31.9 | Very low | 28.9 | Very low | 202 Ų | 202 | 146.3 Ų | 146.3 | 94% | 0.935 | 78% | 0.782 | S | S | * | * | -141.5 | 153.5 | 106.7 | -109.2 | -83.8 | 0 | 0 | 0 | 110 | |||||
| 616 | R | 24.6 | Very low | 29.9 | Very low | 231 Ų | 231 | 143.6 Ų | 143.6 | 87% | 0.872 | 76% | 0.762 | S | S | * | * | trans | -126.6 | 99.6 | -161.5 | -176.8 | -168.2 | -171.3 | -174.5 | 4.6 | 111.6 | ||||
| 617 | T | 31.8 | Very low | 31.2 | Very low | 143 Ų | 143 | 142.6 Ų | 142.6 | 88% | 0.877 | 75% | 0.753 | S | S | * | * | trans | -143 | 140.4 | 163.3 | 20.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 618 | T | 27 | Very low | 32.7 | Very low | 130 Ų | 130 | 138.1 Ų | 138.1 | 80% | 0.798 | 73% | 0.731 | S | S | * | * | trans | -108.3 | 117.9 | -167.4 | 46.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 619 | T | 32.3 | Very low | 34.8 | Very low | 140 Ų | 140 | 138 Ų | 138 | 86% | 0.859 | 72% | 0.716 | S | S | * | * | trans | -138.8 | 130 | 148.1 | 38.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 620 | T | 26.9 | Very low | 36.7 | Very low | 140 Ų | 140 | 135.7 Ų | 135.7 | 86% | 0.859 | 71% | 0.706 | S | S | * | * | trans | -94.4 | 109.1 | -178.6 | 45.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 621 | T | 31.4 | Very low | 38.8 | Very low | 120 Ų | 120 | 130.3 Ų | 130.3 | 74% | 0.736 | 67% | 0.673 | S | S | * | * | trans | -115.2 | 124.5 | 156.7 | 45.2 | 0 | 0 | 0 | 0 | 108.1 | T623 | T621-T623 VanDerWaalsContact C-N 3.33Å; T621-T623 PolarHBondContact O-N 3.24Å | ||
| 622 | T | 29.4 | Very low | 41.3 | Very low | 143 Ų | 143 | 125.6 Ų | 125.6 | 88% | 0.877 | 65% | 0.654 | S | S | * | * | trans | -81.1 | 81.2 | 179.4 | 47.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 623 | T | 30.8 | Very low | 43.6 | Very low | 107 Ų | 107 | 120 Ų | 120 | 66% | 0.656 | 62% | 0.617 | S | S | * | * | trans | -65.3 | 138.2 | 165.5 | 45.9 | 0 | 0 | 0 | 0 | 109.5 | T621 I625 | T621-T623 VanDerWaalsContact C-N 3.33Å; T621-T623 PolarHBondContact O-N 3.24Å; T623-I625 PolarHBondContact O-N 2.6Å | ||
| 624 | P | 37 | Very low | 46.1 | Very low | 77 Ų | 77 | 115.9 Ų | 115.9 | 50% | 0.5 | 59% | 0.594 | S | S | . | * | trans | -62.6 | 126 | 172.8 | 25.3 | -32.9 | 0 | 0 | 0 | 109.3 | Y626 | P624-Y626 HydrophobicContact CB-CE1 4.45Å; P624-Y626 HydrophobicContact CB-CE2 4.41Å; P624-Y626 HydrophobicContact CG-CD2 4.34Å; P624-Y626 HydrophobicContact CG-CE1 4.25Å; P624-Y626 HydrophobicContact CG-CE2 3.62Å; P624-Y626 WeakPolarHBondContact O-CD2 3.47Å; P624-Y626 PolarHBondContact O-N 3.08Å | ||
| 625 | I | 37.5 | Very low | 48.8 | Very low | 163 Ų | 163 | 106 Ų | 106 | 84% | 0.836 | 56% | 0.557 | S | S | * | * | trans | -76.1 | 82.7 | 177.5 | -55.9 | 177.1 | 0 | 0 | 0 | 108 | T623 Q627 | T623-I625 PolarHBondContact O-N 2.6Å; I625-Q627 PolarHBondContact O-N 2.91Å; I625-Q627 VanDerWaalsContact O-N 3.15Å | ||
| 626 | Y | 48.6 | Very low | 51.3 | Low | 89 Ų | 89 | 96.4 Ų | 96.4 | 35% | 0.349 | 51% | 0.513 | S | S | . | . | trans | -58.3 | 117 | 173.8 | -66.2 | -66.7 | 0 | 0 | 0 | 109.6 | F17 Y82 P624 Y628 | F17-Y626 HydrophobicContact CD1-CD1 4.04Å; F17-Y626 HydrophobicContact CD1-CG 4.22Å; F17-Y626 AromaticContact CE1-CD1 3.69Å; F17-Y626 HydrophobicContact CE1-CD1 3.69Å; F17-Y626 AromaticContact CE1-CD2 3.92Å; F17-Y626 HydrophobicContact CE1-CD2 3.92Å; F17-Y626 HydrophobicContact CE1-CE1 4.09Å; F17-Y626 HydrophobicContact CE1-CE2 4.28Å; F17-Y626 AromaticContact CE1-CG 3.6Å; F17-Y626 HydrophobicContact CE1-CG 3.6Å; Y82-Y626 VanDerWaalsContact CE1-OH 3.28Å; Y82-Y626 WeakPolarHBondContact CE1-OH 3.4Å; Y82-Y626 PolarHBondContact OH-OH 3.2Å; P624-Y626 HydrophobicContact CB-CE1 4.45Å; P624-Y626 HydrophobicContact CB-CE2 4.41Å; P624-Y626 HydrophobicContact CG-CD2 4.34Å; P624-Y626 HydrophobicContact CG-CE1 4.25Å; P624-Y626 HydrophobicContact CG-CE2 3.62Å; P624-Y626 WeakPolarHBondContact O-CD2 3.47Å; P624-Y626 PolarHBondContact O-N 3.08Å; Y626-Y628 VanDerWaalsContact O-CD2 3.29Å; Y626-Y628 WeakPolarHBondContact O-CD2 3.46Å; Y626-Y628 PolarHBondContact O-N 2.9Å | ||
| 627 | Q | 50 | Low | 54.2 | Low | 123 Ų | 123 | 89 Ų | 89 | 58% | 0.575 | 49% | 0.485 | S | S | * | . | trans | -73.4 | 98.7 | 171.7 | -70.9 | -172.8 | 2.3 | 0 | 0 | 108.4 | K18 I625 | K18-Q627 HydrophobicContact CB-CB 4.44Å; K18-Q627 WeakPolarHBondContact CB-O 3.45Å; K18-Q627 HydrophobicContact CD-CB 3.91Å; K18-Q627 PolarHBondContact N-O 2.57Å; I625-Q627 PolarHBondContact O-N 2.91Å; I625-Q627 VanDerWaalsContact O-N 3.15Å | ||
| 628 | Y | 59.3 | Low | 56.8 | Low | 102 Ų | 102 | 82.3 Ų | 82.3 | 40% | 0.4 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 151.8 | 165.7 | -65.1 | -88 | 0 | 0 | 0 | 110.3 | K16 F17 Y626 | K16-Y628 WeakPolarHBondContact O-CA 3.38Å; F17-Y628 HydrophobicContact CD1-CE1 4.45Å; F17-Y628 AromaticContact CD2-CE1 3.79Å; F17-Y628 HydrophobicContact CD2-CE1 3.79Å; F17-Y628 HydrophobicContact CE1-CE1 4.3Å; F17-Y628 AromaticContact CE2-CE1 3.6Å; F17-Y628 HydrophobicContact CE2-CE1 3.6Å; F17-Y628 HydrophobicContact CG-CE1 4.22Å; F17-Y628 AromaticContact CZ-CE1 3.88Å; F17-Y628 HydrophobicContact CZ-CE1 3.88Å; F17-Y628 AromaticContact CZ-CZ 3.81Å; F17-Y628 WeakPolarHBondContact CZ-OH 3.49Å; Y626-Y628 VanDerWaalsContact O-CD2 3.29Å; Y626-Y628 WeakPolarHBondContact O-CD2 3.46Å; Y626-Y628 PolarHBondContact O-N 2.9Å |
| 629 | Y | 67.2 | Low | 59.7 | Low | 96 Ų | 96 | 79 Ų | 79 | 38% | 0.376 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 133.7 | 164.3 | 65.5 | -77.7 | 0 | 0 | 0 | 109.5 | K16 K18 C631 | K16-Y629 HydrophobicContact CB-CD1 4.14Å; K16-Y629 HydrophobicContact CB-CE1 3.62Å; K16-Y629 HydrophobicContact CB-CE2 4.04Å; K16-Y629 HydrophobicContact CD-CE2 4.24Å; K16-Y629 WeakPolarHBondContact CD-OH 3.37Å; K16-Y629 PolarHBondContact N-O 3.35Å; K16-Y629 PolarHBondContact O-N 2.97Å; K16-Y629 VanDerWaalsContact O-N 3.09Å; K18-Y629 HydrophobicContact CB-CD1 3.99Å; K18-Y629 HydrophobicContact CB-CE1 4.2Å; K18-Y629 HydrophobicContact CG-CD1 4.45Å; Y629-C631 VanDerWaalsContact CE2-SG 3.57Å |
| 630 | D | 64.8 | Low | 62.3 | Low | 102 Ų | 102 | 72.4 Ų | 72.4 | 55% | 0.545 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 119.9 | -177.3 | -66.7 | -27.2 | 0 | 0 | 0 | 110.5 | S15 | S15-D630 WeakPolarHBondContact CA-OD1 3.4Å; S15-D630 WeakPolarHBondContact CB-OD1 3.41Å |
| 631 | C | 71.7 | Confident | 65.1 | Low | 9 Ų | 9 | 66.2 Ų | 66.2 | 6% | 0.061 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 121.9 | 165.9 | -67.6 | 0 | 0 | 0 | 0 | 108.7 | F14 Y629 Y633 | F14-C631 PolarHBondContact N-O 2.97Å; F14-C631 PolarHBondContact O-N 2.96Å; Y629-C631 VanDerWaalsContact CE2-SG 3.57Å; C631-Y633 HydrophobicContact CB-CD2 4.19Å; C631-Y633 HydrophobicContact CB-CE2 3.46Å; C631-Y633 VanDerWaalsContact CB-CE2 3.46Å; C631-Y633 PolarHBondContact O-N 3.44Å |
| 632 | V | 78 | Confident | 67.5 | Low | 54 Ų | 54 | 60.5 Ų | 60.5 | 33% | 0.327 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 109.9 | 171.2 | -173 | 0 | 0 | 0 | 0 | 108.4 | T595 | T595-V632 PolarHBondContact OG1-O 2.79Å |
| 633 | Y | 79.9 | Confident | 69.9 | Low | 6 Ų | 6 | 54.7 Ų | 54.7 | 2% | 0.024 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 144.6 | 172.1 | -69.4 | -67.6 | 0 | 0 | 0 | 111.2 | S11 V12 F14 K16 T27 L526 F593 T595 C631 | S11-Y633 CarbonylContact C-O 3.55Å; S11-Y633 WeakPolarHBondContact CA-O 3.49Å; S11-Y633 WeakPolarHBondContact CB-O 3.41Å; V12-Y633 PolarHBondContact N-O 2.81Å; V12-Y633 PolarHBondContact O-N 2.94Å; F14-Y633 HydrophobicContact CB-CD2 3.77Å; F14-Y633 HydrophobicContact CB-CE2 3.82Å; F14-Y633 HydrophobicContact CG-CE2 4.43Å; K16-Y633 VanDerWaalsContact CE-OH 3.31Å; K16-Y633 WeakPolarHBondContact CE-OH 3.45Å; K16-Y633 PolarHBondContact NZ-OH 2.89Å; T27-Y633 HydrophobicContact CG2-CE2 4.29Å; T27-Y633 PolarHBondContact OG1-OH 3.49Å; L526-Y633 HydrophobicContact CD1-CD1 3.98Å; L526-Y633 HydrophobicContact CD1-CE1 3.49Å; L526-Y633 VanDerWaalsContact CD1-CE1 3.49Å; F593-Y633 HydrophobicContact CD1-CD1 4.44Å; F593-Y633 AromaticContact CE1-CD1 3.55Å; F593-Y633 HydrophobicContact CE1-CD1 3.55Å; F593-Y633 HydrophobicContact CE1-CD2 4.47Å; F593-Y633 HydrophobicContact CE1-CE1 4.26Å; F593-Y633 AromaticContact CE1-CG 3.73Å; F593-Y633 HydrophobicContact CE1-CG 3.73Å; F593-Y633 HydrophobicContact CE2-CG 4.29Å; F593-Y633 AromaticContact CZ-CD1 3.72Å; F593-Y633 HydrophobicContact CZ-CD1 3.72Å; F593-Y633 HydrophobicContact CZ-CD2 4.08Å; F593-Y633 AromaticContact CZ-CG 3.38Å; F593-Y633 HydrophobicContact CZ-CG 3.38Å; T595-Y633 HydrophobicContact CG2-CD1 4.43Å; T595-Y633 HydrophobicContact CG2-CE1 3.88Å; C631-Y633 HydrophobicContact CB-CD2 4.19Å; C631-Y633 HydrophobicContact CB-CE2 3.46Å; C631-Y633 VanDerWaalsContact CB-CE2 3.46Å; C631-Y633 PolarHBondContact O-N 3.44Å |
| 634 | H | 81.8 | Confident | 72.1 | Confident | 41 Ų | 41 | 49.9 Ų | 49.9 | 19% | 0.19 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 133.5 | 178.8 | -61.6 | -75.1 | 0 | 0 | 0 | 109.8 | W594 N596 | W594-H634 HydrophobicContact CD2-CB 3.7Å; W594-H634 HydrophobicContact CE3-CB 4.14Å; W594-H634 AromaticContact CE3-CD2 3.75Å; W594-H634 HydrophobicContact CG-CB 4.2Å; W594-H634 HydrophobicContact CH2-CB 4.1Å; W594-H634 AromaticContact CH2-CD2 3.68Å; W594-H634 AromaticContact CH2-CG 3.88Å; W594-H634 HydrophobicContact CZ2-CB 3.61Å; W594-H634 AromaticContact CZ2-CG 3.89Å; W594-H634 HydrophobicContact CZ3-CB 4.33Å; W594-H634 AromaticContact CZ3-CD2 3.47Å; W594-H634 VanDerWaalsContact CZ3-CD2 3.47Å; W594-H634 WeakPolarHBondContact CZ3-CD2 3.44Å; W594-H634 PolarHBondContact N-O 2.95Å; W594-H634 PolarHBondContact O-N 3.36Å; N596-H634 PolarHBondContact ND2-NE2 3.26Å |
| 635 | L | 82.8 | Confident | 74 | Confident | 7 Ų | 7 | 47.2 Ų | 47.2 | 4% | 0.037 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 133.7 | 169.1 | -167 | 76.2 | 0 | 0 | 0 | 108.8 | L9 G10 F31 W55 L591 F593 | L9-L635 HydrophobicContact CB-CD2 4.4Å; L9-L635 HydrophobicContact CD1-CD2 3.99Å; L9-L635 HydrophobicContact CD1-CG 4.4Å; L9-L635 PolarHBondContact N-O 2.92Å; G10-L635 PolarHBondContact N-O 2.8Å; G10-L635 PolarHBondContact O-N 3.47Å; F31-L635 HydrophobicContact CE1-CD1 4.23Å; F31-L635 HydrophobicContact CZ-CD1 4.34Å; W55-L635 HydrophobicContact CD2-CD2 4.12Å; W55-L635 HydrophobicContact CH2-CD2 3.96Å; W55-L635 HydrophobicContact CZ2-CD2 3.32Å; L591-L635 HydrophobicContact CB-CD1 4.38Å; L591-L635 HydrophobicContact CD2-CD2 4.49Å; F593-L635 HydrophobicContact CB-CD1 4.34Å; F593-L635 HydrophobicContact CD2-CD1 3.9Å |
| 636 | S | 84.4 | Confident | 76.1 | Confident | 2 Ų | 2 | 40.6 Ų | 40.6 | 1% | 0.014 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 142 | 178.5 | -48.7 | 0 | 0 | 0 | 0 | 110.6 | E7 L592 W594 | E7-S636 CarbonylContact O-C 3.58Å; E7-S636 WeakPolarHBondContact O-CA 3.46Å; L592-S636 PolarHBondContact N-O 2.98Å; L592-S636 PolarHBondContact O-N 2.85Å; W594-S636 PolarHBondContact NE1-OG 2.8Å |
| 637 | R | 85.6 | Confident | 77.4 | Confident | 74 Ų | 74 | 36.5 Ų | 36.5 | 28% | 0.279 | 17% | 0.172 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 121 | 176 | 178.1 | 171.9 | 172.5 | -176.9 | 2.3 | 108.6 | E7 L9 H589 C590 L591 | E7-R637 HydrophobicContact CB-CB 4.36Å; E7-R637 PolarHBondContact N-O 3.29Å; E7-R637 PolarHBondContact O-N 3.38Å; E7-R637 WeakPolarHBondContact OE2-CD 3.25Å; E7-R637 IonicContact OE2-NE 3.81Å; E7-R637 IonicContact OE2-NH1 2.94Å; L9-R637 HydrophobicContact CD1-CB 3.98Å; L9-R637 HydrophobicContact CD2-CB 4.26Å; L9-R637 HydrophobicContact CG-CB 4.02Å; H589-R637 HydrophobicContact CB-CG 4.19Å; H589-R637 PolarHBondContact CD2-NE 3.37Å; H589-R637 PolarHBondContact CD2-NH2 2.88Å; H589-R637 PolarHBondContact NE2-NH2 3.03Å; C590-R637 CarbonylContact O-C 3.54Å; C590-R637 WeakPolarHBondContact O-CA 3.36Å; L591-R637 HydrophobicContact CD2-CB 4.28Å |
| 638 | I | 87.4 | Confident | 78.6 | Confident | 3 Ų | 3 | 34.2 Ų | 34.2 | 2% | 0.015 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 126.4 | 162.6 | -68 | -177.8 | 0 | 0 | 0 | 108.4 | T4 Y5 L6 A516 H589 C590 L592 F640 | T4-I638 HydrophobicContact CG2-CG2 4.25Å; Y5-I638 CarbonylContact O-C 3.44Å; Y5-I638 VanDerWaalsContact O-CA 3.26Å; Y5-I638 WeakPolarHBondContact O-CA 3.32Å; L6-I638 HydrophobicContact CB-CG1 4.49Å; L6-I638 HydrophobicContact CD1-CD1 4.11Å; L6-I638 HydrophobicContact CD1-CG1 3.52Å; A516-I638 HydrophobicContact CB-CD1 3.97Å; H589-I638 CarbonylContact C-O 3.6Å; H589-I638 WeakPolarHBondContact CA-O 3.18Å; C590-I638 PolarHBondContact N-O 2.96Å; C590-I638 PolarHBondContact O-N 3.17Å; L592-I638 HydrophobicContact CD1-CB 4.22Å; L592-I638 HydrophobicContact CD1-CD1 3.79Å; L592-I638 HydrophobicContact CD1-CG1 3.96Å; L592-I638 HydrophobicContact CD2-CD1 3.65Å; L592-I638 HydrophobicContact CD2-CG1 4.41Å; L592-I638 HydrophobicContact CG-CD1 4.36Å; I638-F640 HydrophobicContact CB-CE2 4.15Å; I638-F640 HydrophobicContact CG2-CD2 3.82Å; I638-F640 HydrophobicContact CG2-CE1 4.35Å; I638-F640 HydrophobicContact CG2-CE2 3.49Å; I638-F640 VanDerWaalsContact CG2-CE2 3.49Å; I638-F640 HydrophobicContact CG2-CG 4.4Å; I638-F640 HydrophobicContact CG2-CZ 3.79Å |
| 639 | M | 86.7 | Confident | 79.3 | Confident | 61 Ų | 61 | 31.9 Ų | 31.9 | 30% | 0.3 | 16% | 0.157 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 116.8 | 165.2 | -38.4 | -157 | -46 | 0 | 0 | 108.9 | T4 Y5 H589 V641 | T4-M639 WeakPolarHBondContact CA-O 3.31Å; Y5-M639 HydrophobicContact CD2-CE 4.5Å; Y5-M639 PolarHBondContact N-O 3.04Å; Y5-M639 PolarHBondContact O-N 3.29Å; H589-M639 PolarHBondContact CE1-SD 2.87Å; H589-M639 WeakPolarHBondContact ND1-CG 3.42Å; M639-V641 HydrophobicContact CB-CG2 4.38Å |
| 640 | F | 87.7 | Confident | 79.7 | Confident | 2 Ų | 2 | 30.9 Ų | 30.9 | 1% | 0.009 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 123.7 | 167.3 | -72.2 | -84.7 | 0 | 0 | 0 | 108.2 | T4 I487 F514 A516 S587 F588 C590 I638 | T4-F640 HydrophobicContact CG2-CD1 3.58Å; T4-F640 HydrophobicContact CG2-CE1 3.45Å; T4-F640 VanDerWaalsContact CG2-CE1 3.45Å; T4-F640 HydrophobicContact CG2-CG 4.47Å; T4-F640 HydrophobicContact CG2-CZ 4.28Å; I487-F640 HydrophobicContact CD1-CE2 3.79Å; I487-F640 HydrophobicContact CD1-CZ 4.07Å; F514-F640 HydrophobicContact CB-CD1 3.76Å; F514-F640 HydrophobicContact CB-CE1 3.55Å; F514-F640 HydrophobicContact CB-CZ 4.29Å; F514-F640 HydrophobicContact CD1-CD1 4.48Å; F514-F640 HydrophobicContact CG-CD1 4.31Å; A516-F640 HydrophobicContact CB-CZ 4.08Å; S587-F640 CarbonylContact C-O 3.57Å; S587-F640 VanDerWaalsContact CA-O 3.22Å; S587-F640 WeakPolarHBondContact CA-O 3.36Å; S587-F640 VanDerWaalsContact CB-O 3.27Å; S587-F640 WeakPolarHBondContact CB-O 3.38Å; F588-F640 HydrophobicContact CD1-CB 4.07Å; F588-F640 HydrophobicContact CD2-CB 4.12Å; F588-F640 AromaticContact CD2-CD2 3.84Å; F588-F640 HydrophobicContact CD2-CD2 3.84Å; F588-F640 HydrophobicContact CD2-CG 4.3Å; F588-F640 HydrophobicContact CE1-CB 3.76Å; F588-F640 HydrophobicContact CE1-CG 4.23Å; F588-F640 HydrophobicContact CE2-CB 3.84Å; F588-F640 AromaticContact CE2-CD2 3.25Å; F588-F640 HydrophobicContact CE2-CD2 3.25Å; F588-F640 AromaticContact CE2-CE2 3.95Å; F588-F640 HydrophobicContact CE2-CE2 3.95Å; F588-F640 AromaticContact CE2-CG 3.65Å; F588-F640 HydrophobicContact CE2-CG 3.65Å; F588-F640 HydrophobicContact CG-CB 4.23Å; F588-F640 HydrophobicContact CZ-CB 3.64Å; F588-F640 HydrophobicContact CZ-CD1 4.28Å; F588-F640 AromaticContact CZ-CD2 3.71Å; F588-F640 HydrophobicContact CZ-CD2 3.71Å; F588-F640 HydrophobicContact CZ-CE2 4.46Å; F588-F640 AromaticContact CZ-CG 3.6Å; F588-F640 HydrophobicContact CZ-CG 3.6Å; F588-F640 PolarHBondContact N-O 2.99Å; F588-F640 PolarHBondContact O-N 2.84Å; C590-F640 HydrophobicContact CB-CD2 4.25Å; C590-F640 HydrophobicContact CB-CE2 3.96Å; I638-F640 HydrophobicContact CB-CE2 4.15Å; I638-F640 HydrophobicContact CG2-CD2 3.82Å; I638-F640 HydrophobicContact CG2-CE1 4.35Å; I638-F640 HydrophobicContact CG2-CE2 3.49Å; I638-F640 VanDerWaalsContact CG2-CE2 3.49Å; I638-F640 HydrophobicContact CG2-CG 4.4Å; I638-F640 HydrophobicContact CG2-CZ 3.79Å |
| 641 | V | 84.5 | Confident | 80.1 | Confident | 9 Ų | 9 | 29 Ų | 29 | 6% | 0.055 | 15% | 0.145 | C | C | . | . | trans | -118.4 | 129.3 | -172.4 | 179.3 | 0 | 0 | 0 | 0 | 109 | Q2 P3 Y5 M639 E645 I649 | Q2-V641 WeakPolarHBondContact CG-O 3.37Å; P3-V641 VanDerWaalsContact CD-O 3.27Å; P3-V641 WeakPolarHBondContact CD-O 3.3Å; P3-V641 HydrophobicContact CG-CB 4.35Å; P3-V641 WeakPolarHBondContact CG-O 3.34Å; P3-V641 PolarHBondContact O-N 2.92Å; P3-V641 VanDerWaalsContact O-N 3.11Å; Y5-V641 HydrophobicContact CD2-CG2 3.75Å; Y5-V641 HydrophobicContact CE2-CB 4.39Å; Y5-V641 HydrophobicContact CE2-CG2 3.9Å; M639-V641 HydrophobicContact CB-CG2 4.38Å; V641-E645 HydrophobicContact CG1-CB 3.53Å; V641-I649 HydrophobicContact CG1-CD1 4.07Å | ||
| 642 | S | 82.2 | Confident | 80 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | trans | -59.3 | 144.2 | 174.4 | 59.2 | 0 | 0 | 0 | 0 | 111.2 | S587 Q644 E645 E646 | S587-S642 WeakPolarHBondContact OG-CB 3.32Å; S587-S642 PolarHBondContact OG-N 2.78Å; S587-S642 PolarHBondContact OG-OG 3.01Å; S587-S642 VanDerWaalsContact OG-OG 3.09Å; S642-Q644 PolarHBondContact O-N 2.84Å; S642-Q644 VanDerWaalsContact O-N 3.12Å; S642-E645 PolarHBondContact O-N 3.48Å; S642-E645 WeakPolarHBondContact OG-CG 3.34Å; S642-E646 PolarHBondContact O-N 2.8Å | ||
| 643 | C | 79.6 | Confident | 79.6 | Confident | 21 Ų | 21 | 34.4 Ų | 34.4 | 14% | 0.142 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.8 | -25.1 | -173.4 | -57.8 | 0 | 0 | 0 | 0 | 112.9 | C647 Y687 | C643-C647 PolarHBondContact O-N 2.7Å; C643-C647 PolarHBondContact O-SG 3.04Å; C643-C647 VanDerWaalsContact O-SG 3.33Å; C643-Y687 HydrophobicContact CB-CD1 3.71Å; C643-Y687 HydrophobicContact CB-CD2 3.37Å; C643-Y687 HydrophobicContact CB-CE1 3.89Å; C643-Y687 HydrophobicContact CB-CE2 3.58Å; C643-Y687 HydrophobicContact CB-CG 3.46Å; C643-Y687 VanDerWaalsContact CB-CG 3.46Å |
| 644 | Q | 77.6 | Confident | 79 | Confident | 7 Ų | 7 | 38.4 Ų | 38.4 | 3% | 0.033 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -67.8 | -41.2 | 172.5 | -58.4 | 84.6 | -8.4 | 0 | 0 | 112.1 | F538 S642 C647 I648 Y687 L689 | F538-Q644 HydrophobicContact CD1-CB 3.47Å; F538-Q644 VanDerWaalsContact CD1-CB 3.47Å; F538-Q644 HydrophobicContact CD1-CG 4.02Å; F538-Q644 HydrophobicContact CE1-CB 3.42Å; F538-Q644 VanDerWaalsContact CE1-CB 3.42Å; F538-Q644 HydrophobicContact CE1-CG 4.11Å; F538-Q644 HydrophobicContact CG-CB 4.16Å; F538-Q644 HydrophobicContact CZ-CB 4.04Å; S642-Q644 PolarHBondContact O-N 2.84Å; S642-Q644 VanDerWaalsContact O-N 3.12Å; Q644-C647 PolarHBondContact O-N 3.42Å; Q644-I648 PolarHBondContact O-N 3.23Å; Q644-Y687 VanDerWaalsContact CG-O 3.28Å; Q644-Y687 WeakPolarHBondContact CG-O 3.38Å; Q644-Y687 PolarHBondContact NE2-O 2.87Å; Q644-L689 HydrophobicContact CB-CD1 4.48Å |
| 645 | E | 77.6 | Confident | 78 | Confident | 20 Ų | 20 | 39 Ų | 39 | 9% | 0.093 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -67.7 | -38.6 | 175 | -72.3 | -174.1 | 158.1 | 0 | 0 | 111.2 | F538 R541 S587 V641 S642 I648 I649 | F538-E645 HydrophobicContact CB-CG 4.2Å; F538-E645 HydrophobicContact CD2-CG 3.28Å; F538-E645 WeakPolarHBondContact CD2-OE1 3.48Å; F538-E645 HydrophobicContact CE2-CG 3.8Å; F538-E645 HydrophobicContact CG-CG 3.96Å; R541-E645 IonicContact CZ-OE1 2.66Å; R541-E645 IonicContact CZ-OE2 3.5Å; R541-E645 IonicContact NE-OE1 2.73Å; R541-E645 VanDerWaalsContact NH1-CD 3.26Å; R541-E645 IonicContact NH1-OE1 3.45Å; R541-E645 PolarHBondContact NH1-OE1 3.43Å; R541-E645 IonicContact NH1-OE2 2.93Å; R541-E645 PolarHBondContact NH1-OE2 3.49Å; R541-E645 VanDerWaalsContact NH1-OE2 3.09Å; R541-E645 VanDerWaalsContact NH2-CD 3.34Å; R541-E645 IonicContact NH2-OE1 3.11Å; R541-E645 PolarHBondContact NH2-OE1 2.94Å; R541-E645 IonicContact NH2-OE2 3.68Å; R541-E645 PolarHBondContact NH2-OE2 3.11Å; S587-E645 WeakPolarHBondContact CB-OE2 3.14Å; S587-E645 PolarHBondContact OG-OE2 2.69Å; V641-E645 HydrophobicContact CG1-CB 3.53Å; S642-E645 PolarHBondContact O-N 3.48Å; S642-E645 WeakPolarHBondContact OG-CG 3.34Å; E645-I648 PolarHBondContact O-N 2.9Å; E645-I649 VanDerWaalsContact O-CG1 3.24Å; E645-I649 WeakPolarHBondContact O-CG1 3.36Å; E645-I649 PolarHBondContact O-N 3.35Å |
| 646 | E | 81.3 | Confident | 76.9 | Confident | 24 Ų | 24 | 44.2 Ų | 44.2 | 11% | 0.112 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65 | -39.7 | 174.8 | -172.2 | 63.7 | -154.1 | 0 | 0 | 112.6 | P3 Y5 S642 I648 I649 E650 R653 | P3-E646 HydrophobicContact CB-CB 4.22Å; P3-E646 HydrophobicContact CB-CG 3.87Å; P3-E646 HydrophobicContact CG-CB 3.42Å; P3-E646 VanDerWaalsContact CG-CB 3.42Å; P3-E646 HydrophobicContact CG-CG 3.62Å; Y5-E646 WeakPolarHBondContact CE2-OE2 3.22Å; Y5-E646 PolarHBondContact OH-OE1 3.11Å; Y5-E646 PolarHBondContact OH-OE2 3.42Å; S642-E646 PolarHBondContact O-N 2.8Å; E646-I648 VanDerWaalsContact C-N 3.25Å; E646-I648 PolarHBondContact O-N 3.09Å; E646-I649 CarbonylContact O-C 3.58Å; E646-I649 PolarHBondContact O-N 3.46Å; E646-E650 HydrophobicContact CG-CG 4.34Å; E646-E650 PolarHBondContact O-N 3.49Å; E646-R653 IonicContact OE1-NH1 2.74Å; E646-R653 PolarHBondContact OE1-NH1 3.44Å |
| 647 | C | 76 | Confident | 75.7 | Confident | 3 Ų | 3 | 50.4 Ų | 50.4 | 2% | 0.02 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -57.3 | -40.7 | 172.7 | -72.6 | 0 | 0 | 0 | 0 | 111.5 | C643 Q644 L651 W680 L689 | C643-C647 PolarHBondContact O-N 2.7Å; C643-C647 PolarHBondContact O-SG 3.04Å; C643-C647 VanDerWaalsContact O-SG 3.33Å; Q644-C647 PolarHBondContact O-N 3.42Å; C647-L651 WeakPolarHBondContact O-CB 3.45Å; C647-L651 PolarHBondContact O-N 2.9Å; C647-W680 HydrophobicContact CB-CZ2 4.41Å; C647-W680 PolarHBondContact O-NE1 3.49Å; C647-L689 HydrophobicContact CB-CD2 3.73Å |
| 648 | I | 74 | Confident | 74.1 | Confident | 75 Ų | 75 | 49.5 Ų | 49.5 | 39% | 0.385 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -68.1 | -37.1 | 174.6 | -68.2 | 175.4 | 0 | 0 | 0 | 111.6 | F538 Q644 E645 E646 L651 N652 L689 | F538-I648 HydrophobicContact CE2-CD1 3.77Å; F538-I648 HydrophobicContact CZ-CD1 3.59Å; Q644-I648 PolarHBondContact O-N 3.23Å; E645-I648 PolarHBondContact O-N 2.9Å; E646-I648 VanDerWaalsContact C-N 3.25Å; E646-I648 PolarHBondContact O-N 3.09Å; I648-L651 PolarHBondContact O-N 2.8Å; I648-N652 VanDerWaalsContact O-CB 3.25Å; I648-N652 WeakPolarHBondContact O-CB 3.46Å; I648-N652 PolarHBondContact O-N 3.16Å; I648-L689 HydrophobicContact CD1-CD1 4.12Å; I648-L689 HydrophobicContact CG1-CD1 4.39Å; I648-L689 HydrophobicContact CG1-CD2 4.12Å |
| 649 | I | 75.1 | Confident | 72 | Confident | 53 Ų | 53 | 55.5 Ų | 55.5 | 27% | 0.272 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -70 | -41.7 | 178.4 | -67.7 | 163.1 | 0 | 0 | 0 | 111.4 | V641 E645 E646 N652 R653 | V641-I649 HydrophobicContact CG1-CD1 4.07Å; E645-I649 VanDerWaalsContact O-CG1 3.24Å; E645-I649 WeakPolarHBondContact O-CG1 3.36Å; E645-I649 PolarHBondContact O-N 3.35Å; E646-I649 CarbonylContact O-C 3.58Å; E646-I649 PolarHBondContact O-N 3.46Å; I649-N652 PolarHBondContact O-N 2.84Å; I649-R653 HydrophobicContact CG2-CG 4.43Å; I649-R653 VanDerWaalsContact O-CB 3.32Å; I649-R653 WeakPolarHBondContact O-CB 3.26Å; I649-R653 VanDerWaalsContact O-CG 3.25Å; I649-R653 WeakPolarHBondContact O-CG 3.22Å; I649-R653 PolarHBondContact O-N 2.91Å |
| 650 | E | 75.3 | Confident | 69.9 | Low | 75 Ų | 75 | 55.5 Ų | 55.5 | 35% | 0.35 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -59.7 | -46.3 | 171.8 | -75.8 | -167.2 | 139.6 | 0 | 0 | 111 | E646 R653 F654 F675 | E646-E650 HydrophobicContact CG-CG 4.34Å; E646-E650 PolarHBondContact O-N 3.49Å; E650-R653 PolarHBondContact O-N 3.36Å; E650-F654 WeakPolarHBondContact O-CB 3.3Å; E650-F654 PolarHBondContact O-N 3.23Å; E650-F675 HydrophobicContact CB-CE2 4.3Å |
| 651 | L | 72.4 | Confident | 67.6 | Low | 63 Ų | 63 | 61 Ų | 61 | 33% | 0.33 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -62.2 | -46.5 | 177.4 | -171.2 | 75 | 0 | 0 | 0 | 111.3 | C647 I648 F654 T655 F675 W680 | C647-L651 WeakPolarHBondContact O-CB 3.45Å; C647-L651 PolarHBondContact O-N 2.9Å; I648-L651 PolarHBondContact O-N 2.8Å; L651-F654 WeakPolarHBondContact O-CB 3.43Å; L651-F654 PolarHBondContact O-N 2.93Å; L651-F654 VanDerWaalsContact O-N 3.16Å; L651-T655 PolarHBondContact O-N 3.01Å; L651-T655 PolarHBondContact O-OG1 3.12Å; L651-F675 HydrophobicContact CD1-CZ 4.12Å; L651-W680 HydrophobicContact CB-CZ2 4.03Å; L651-W680 HydrophobicContact CD1-CH2 4.47Å; L651-W680 HydrophobicContact CD1-CZ2 4.12Å; L651-W680 HydrophobicContact CD2-CH2 4.26Å; L651-W680 HydrophobicContact CD2-CZ2 3.94Å; L651-W680 HydrophobicContact CG-CZ2 4.26Å |
| 652 | N | 70.7 | Confident | 65.4 | Low | 80 Ų | 80 | 65.3 Ų | 65.3 | 43% | 0.428 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -67.1 | -40.2 | -179.9 | -171.1 | 20.9 | 0 | 0 | 0 | 111.9 | I648 I649 F654 T655 Q656 | I648-N652 VanDerWaalsContact O-CB 3.25Å; I648-N652 WeakPolarHBondContact O-CB 3.46Å; I648-N652 PolarHBondContact O-N 3.16Å; I649-N652 PolarHBondContact O-N 2.84Å; N652-F654 VanDerWaalsContact C-N 3.29Å; N652-F654 PolarHBondContact O-N 3.24Å; N652-T655 WeakPolarHBondContact CA-OG1 3.34Å; N652-T655 PolarHBondContact O-N 3.26Å; N652-T655 PolarHBondContact O-OG1 2.89Å; N652-Q656 VanDerWaalsContact O-CB 3.3Å; N652-Q656 WeakPolarHBondContact O-CB 3.29Å; N652-Q656 VanDerWaalsContact O-CG 3.25Å; N652-Q656 WeakPolarHBondContact O-CG 3.48Å; N652-Q656 PolarHBondContact O-N 3.29Å |
| 653 | R | 69.8 | Low | 63 | Low | 96 Ų | 96 | 68.6 Ų | 68.6 | 36% | 0.362 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -60.8 | -39.2 | 170.5 | -76.7 | 175.1 | -176.1 | 139.1 | 6.4 | 111.5 | Y5 E646 I649 E650 R657 | Y5-R653 VanDerWaalsContact CZ-NH2 3.27Å; Y5-R653 VanDerWaalsContact OH-CZ 3.29Å; Y5-R653 PolarHBondContact OH-NH1 2.8Å; Y5-R653 PolarHBondContact OH-NH2 2.6Å; E646-R653 IonicContact OE1-NH1 2.74Å; E646-R653 PolarHBondContact OE1-NH1 3.44Å; I649-R653 HydrophobicContact CG2-CG 4.43Å; I649-R653 VanDerWaalsContact O-CB 3.32Å; I649-R653 WeakPolarHBondContact O-CB 3.26Å; I649-R653 VanDerWaalsContact O-CG 3.25Å; I649-R653 WeakPolarHBondContact O-CG 3.22Å; I649-R653 PolarHBondContact O-N 2.91Å; E650-R653 PolarHBondContact O-N 3.36Å; R653-R657 WeakPolarHBondContact O-CB 3.46Å; R653-R657 WeakPolarHBondContact O-CD 3.04Å; R653-R657 WeakPolarHBondContact O-CG 3.1Å; R653-R657 PolarHBondContact O-N 3.39Å |
| 654 | F | 66.6 | Low | 60.5 | Low | 91 Ų | 91 | 74.7 Ų | 74.7 | 40% | 0.399 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -65.7 | -48.2 | 175.6 | 176.2 | -106.4 | 0 | 0 | 0 | 111.3 | E650 L651 N652 Q656 R657 S658 F675 | E650-F654 WeakPolarHBondContact O-CB 3.3Å; E650-F654 PolarHBondContact O-N 3.23Å; L651-F654 WeakPolarHBondContact O-CB 3.43Å; L651-F654 PolarHBondContact O-N 2.93Å; L651-F654 VanDerWaalsContact O-N 3.16Å; N652-F654 VanDerWaalsContact C-N 3.29Å; N652-F654 PolarHBondContact O-N 3.24Å; F654-Q656 PolarHBondContact O-N 2.92Å; F654-R657 CarbonylContact O-C 3.57Å; F654-R657 PolarHBondContact O-N 3.27Å; F654-R657 VanDerWaalsContact O-N 3.16Å; F654-S658 PolarHBondContact O-N 3.45Å; F654-S658 PolarHBondContact O-OG 2.93Å; F654-F675 HydrophobicContact CB-CB 4.44Å; F654-F675 HydrophobicContact CB-CD1 4.4Å; F654-F675 HydrophobicContact CB-CD2 3.87Å; F654-F675 HydrophobicContact CB-CE2 4.17Å; F654-F675 HydrophobicContact CB-CG 3.99Å; F654-F675 AromaticContact CD1-CD1 3.96Å; F654-F675 HydrophobicContact CD1-CD1 3.96Å; F654-F675 HydrophobicContact CD1-CE1 4.11Å; F654-F675 HydrophobicContact CD1-CG 4.35Å; F654-F675 HydrophobicContact CD2-CB 3.43Å; F654-F675 VanDerWaalsContact CD2-CB 3.43Å; F654-F675 AromaticContact CD2-CD1 3.9Å; F654-F675 HydrophobicContact CD2-CD1 3.9Å; F654-F675 HydrophobicContact CD2-CD2 4.38Å; F654-F675 AromaticContact CD2-CG 3.67Å; F654-F675 HydrophobicContact CD2-CG 3.67Å; F654-F675 HydrophobicContact CE1-CD1 4.21Å; F654-F675 HydrophobicContact CE1-CE1 4.49Å; F654-F675 HydrophobicContact CE2-CB 3.88Å; F654-F675 HydrophobicContact CE2-CD1 4.15Å; F654-F675 HydrophobicContact CE2-CG 4.25Å; F654-F675 HydrophobicContact CG-CB 4.03Å; F654-F675 AromaticContact CG-CD1 3.8Å; F654-F675 HydrophobicContact CG-CD1 3.8Å; F654-F675 HydrophobicContact CG-CD2 4.13Å; F654-F675 HydrophobicContact CG-CE1 4.26Å; F654-F675 AromaticContact CG-CG 3.72Å; F654-F675 HydrophobicContact CG-CG 3.72Å; F654-F675 HydrophobicContact CZ-CD1 4.29Å |
| 655 | T | 61 | Low | 58.3 | Low | 54 Ų | 54 | 82 Ų | 82 | 33% | 0.331 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -64.9 | -38.3 | 178 | 50.7 | 0 | 0 | 0 | 0 | 112.7 | L651 N652 S658 L659 | L651-T655 PolarHBondContact O-N 3.01Å; L651-T655 PolarHBondContact O-OG1 3.12Å; N652-T655 WeakPolarHBondContact CA-OG1 3.34Å; N652-T655 PolarHBondContact O-N 3.26Å; N652-T655 PolarHBondContact O-OG1 2.89Å; T655-S658 WeakPolarHBondContact CA-OG 3.23Å; T655-S658 PolarHBondContact O-N 2.88Å; T655-S658 PolarHBondContact O-OG 3.45Å; T655-L659 WeakPolarHBondContact O-CB 3.47Å; T655-L659 WeakPolarHBondContact O-CD1 3.41Å; T655-L659 WeakPolarHBondContact O-CG 3.13Å; T655-L659 PolarHBondContact O-N 3.13Å |
| 656 | Q | 59.4 | Low | 56.1 | Low | 115 Ų | 115 | 86.5 Ų | 86.5 | 54% | 0.537 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -64.2 | -40.9 | 172.7 | -73.9 | 176.2 | -10.9 | 0 | 0 | 111.4 | N652 F654 L659 S660 | N652-Q656 VanDerWaalsContact O-CB 3.3Å; N652-Q656 WeakPolarHBondContact O-CB 3.29Å; N652-Q656 VanDerWaalsContact O-CG 3.25Å; N652-Q656 WeakPolarHBondContact O-CG 3.48Å; N652-Q656 PolarHBondContact O-N 3.29Å; F654-Q656 PolarHBondContact O-N 2.92Å; Q656-L659 PolarHBondContact O-N 3.33Å; Q656-S660 WeakPolarHBondContact O-CB 3.27Å; Q656-S660 PolarHBondContact O-N 2.67Å; Q656-S660 PolarHBondContact O-OG 3.44Å |
| 657 | R | 59 | Low | 53.7 | Low | 133 Ų | 133 | 92.9 Ų | 92.9 | 50% | 0.502 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -70.9 | -33 | 176.6 | -76.7 | 171.8 | 173 | -140.2 | -4.9 | 113.6 | R653 F654 S660 M661 N672 | R653-R657 WeakPolarHBondContact O-CB 3.46Å; R653-R657 WeakPolarHBondContact O-CD 3.04Å; R653-R657 WeakPolarHBondContact O-CG 3.1Å; R653-R657 PolarHBondContact O-N 3.39Å; F654-R657 CarbonylContact O-C 3.57Å; F654-R657 PolarHBondContact O-N 3.27Å; F654-R657 VanDerWaalsContact O-N 3.16Å; R657-S660 WeakPolarHBondContact CA-OG 3.22Å; R657-S660 PolarHBondContact O-N 2.79Å; R657-S660 PolarHBondContact O-OG 3.1Å; R657-M661 VanDerWaalsContact O-CB 3.23Å; R657-M661 WeakPolarHBondContact O-CB 3.32Å; R657-M661 VanDerWaalsContact O-CG 3.24Å; R657-M661 WeakPolarHBondContact O-CG 3.19Å; R657-M661 PolarHBondContact O-N 3.33Å; R657-N672 PolarHBondContact NH1-OD1 2.83Å |
| 658 | S | 52.8 | Low | 51.5 | Low | 55 Ų | 55 | 101.6 Ų | 101.6 | 39% | 0.385 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -71.8 | -39 | 174.1 | 62 | 0 | 0 | 0 | 0 | 111.1 | F654 T655 S660 M661 S662 | F654-S658 PolarHBondContact O-N 3.45Å; F654-S658 PolarHBondContact O-OG 2.93Å; T655-S658 WeakPolarHBondContact CA-OG 3.23Å; T655-S658 PolarHBondContact O-N 2.88Å; T655-S658 PolarHBondContact O-OG 3.45Å; S658-S660 VanDerWaalsContact C-N 3.32Å; S658-M661 PolarHBondContact O-N 3.16Å; S658-S662 PolarHBondContact O-N 3.14Å; S658-S662 PolarHBondContact O-OG 3.05Å |
| 659 | L | 42.5 | Very low | 49.4 | Very low | 129 Ų | 129 | 101.8 Ų | 101.8 | 68% | 0.675 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -67.6 | -29.5 | 172.8 | -70.5 | 167.1 | 0 | 0 | 0 | 112.8 | T655 Q656 S662 | T655-L659 WeakPolarHBondContact O-CB 3.47Å; T655-L659 WeakPolarHBondContact O-CD1 3.41Å; T655-L659 WeakPolarHBondContact O-CG 3.13Å; T655-L659 PolarHBondContact O-N 3.13Å; Q656-L659 PolarHBondContact O-N 3.33Å; L659-S662 PolarHBondContact O-OG 3.18Å |
| 660 | S | 43.4 | Very low | 47.3 | Very low | 60 Ų | 60 | 105 Ų | 105 | 42% | 0.42 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -85.9 | -25.9 | 173.8 | 75.8 | 0 | 0 | 0 | 0 | 113.7 | Q656 R657 S658 S662 S663 | Q656-S660 WeakPolarHBondContact O-CB 3.27Å; Q656-S660 PolarHBondContact O-N 2.67Å; Q656-S660 PolarHBondContact O-OG 3.44Å; R657-S660 WeakPolarHBondContact CA-OG 3.22Å; R657-S660 PolarHBondContact O-N 2.79Å; R657-S660 PolarHBondContact O-OG 3.1Å; S658-S660 VanDerWaalsContact C-N 3.32Å; S660-S662 VanDerWaalsContact C-N 3.26Å; S660-S662 PolarHBondContact O-N 2.85Å; S660-S663 CarbonylContact O-C 3.57Å; S660-S663 VanDerWaalsContact O-C 3.3Å; S660-S663 WeakPolarHBondContact O-CA 3.22Å; S660-S663 PolarHBondContact O-N 3.05Å; S660-S663 PolarHBondContact O-OG 3.39Å |
| 661 | M | 39.5 | Very low | 45.3 | Very low | 118 Ų | 118 | 110.5 Ų | 110.5 | 58% | 0.581 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -70.9 | -21.2 | 176.2 | -86.6 | -96.1 | 128.2 | 0 | 0 | 112.8 | R657 S658 S663 | R657-M661 VanDerWaalsContact O-CB 3.23Å; R657-M661 WeakPolarHBondContact O-CB 3.32Å; R657-M661 VanDerWaalsContact O-CG 3.24Å; R657-M661 WeakPolarHBondContact O-CG 3.19Å; R657-M661 PolarHBondContact O-N 3.33Å; S658-M661 PolarHBondContact O-N 3.16Å; M661-S663 PolarHBondContact O-N 2.94Å; M661-S663 VanDerWaalsContact O-N 3.17Å |
| 662 | S | 37.5 | Very low | 43.7 | Very low | 99 Ų | 99 | 112.2 Ų | 112.2 | 69% | 0.692 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.1 | 1.2 | 162.7 | 31.9 | 0 | 0 | 0 | 0 | 114.2 | S658 L659 S660 | S658-S662 PolarHBondContact O-N 3.14Å; S658-S662 PolarHBondContact O-OG 3.05Å; L659-S662 PolarHBondContact O-OG 3.18Å; S660-S662 VanDerWaalsContact C-N 3.26Å; S660-S662 PolarHBondContact O-N 2.85Å |
| 663 | S | 31.8 | Very low | 42.7 | Very low | 69 Ų | 69 | 117.8 Ų | 117.8 | 48% | 0.483 | 61% | 0.614 | S | S | . | * | S | Bend | trans | -149 | 102.7 | 178.7 | 58.4 | 0 | 0 | 0 | 0 | 112.4 | S660 M661 | S660-S663 CarbonylContact O-C 3.57Å; S660-S663 VanDerWaalsContact O-C 3.3Å; S660-S663 WeakPolarHBondContact O-CA 3.22Å; S660-S663 PolarHBondContact O-N 3.05Å; S660-S663 PolarHBondContact O-OG 3.39Å; M661-S663 PolarHBondContact O-N 2.94Å; M661-S663 VanDerWaalsContact O-N 3.17Å |
| 664 | L | 28.3 | Very low | 42.1 | Very low | 150 Ų | 150 | 122.8 Ų | 122.8 | 79% | 0.785 | 64% | 0.638 | S | S | * | * | trans | 93.3 | 103.7 | 178.2 | -55.2 | 160.3 | 0 | 0 | 0 | 116.2 | V666 | L664-V666 PolarHBondContact O-N 3Š| ||
| 665 | N | 30.6 | Very low | 42.1 | Very low | 160 Ų | 160 | 121.3 Ų | 121.3 | 86% | 0.856 | 63% | 0.632 | S | S | * | * | trans | -70.6 | 109.6 | 160.3 | -79.2 | -19.8 | 0 | 0 | 0 | 110.4 | ||||
| 666 | V | 32.4 | Very low | 42.7 | Very low | 115 Ų | 115 | 122.6 Ų | 122.6 | 70% | 0.697 | 64% | 0.637 | S | S | * | * | trans | -138.8 | 89.9 | 162.8 | -174 | 0 | 0 | 0 | 0 | 110.1 | L664 Q668 | L664-V666 PolarHBondContact O-N 3Å; V666-Q668 PolarHBondContact O-N 2.92Å; V666-Q668 VanDerWaalsContact O-N 3.07Å | ||
| 667 | D | 29.5 | Very low | 43.1 | Very low | 157 Ų | 157 | 120.5 Ų | 120.5 | 84% | 0.84 | 63% | 0.629 | S | S | * | * | trans | -76.1 | 88.4 | 169 | -96.2 | -42 | 0 | 0 | 0 | 111 | ||||
| 668 | Q | 29.3 | Very low | 43.8 | Very low | 186 Ų | 186 | 115.7 Ų | 115.7 | 87% | 0.869 | 61% | 0.613 | S | S | * | * | trans | -168.7 | 85.9 | 154.8 | -109.3 | 150.5 | 91.9 | 0 | 0 | 113.1 | V666 | V666-Q668 PolarHBondContact O-N 2.92Å; V666-Q668 VanDerWaalsContact O-N 3.07Å | ||
| 669 | S | 29.9 | Very low | 44.9 | Very low | 79 Ų | 79 | 117.8 Ų | 117.8 | 55% | 0.552 | 62% | 0.616 | S | S | * | * | trans | -151.8 | 136.6 | 152.6 | 71.8 | 0 | 0 | 0 | 0 | 111.8 | Y671 | S669-Y671 PolarHBondContact O-N 2.85Š| ||
| 670 | P | 32 | Very low | 46.9 | Very low | 122 Ų | 122 | 113 Ų | 113 | 79% | 0.792 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | 19.2 | -170.2 | 32.1 | -36.2 | 0 | 0 | 0 | 114.9 | ||
| 671 | Y | 32.4 | Very low | 48.3 | Very low | 189 Ų | 189 | 110.8 Ų | 110.8 | 74% | 0.741 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.5 | 18.9 | -170 | -77.7 | -71.3 | 0 | 0 | 0 | 115.8 | S669 K673 | S669-Y671 PolarHBondContact O-N 2.85Å; Y671-K673 PolarHBondContact O-N 3.39Å; Y671-K673 VanDerWaalsContact O-N 3.1Å |
| 672 | N | 39.4 | Very low | 50 | Low | 100 Ų | 100 | 107.2 Ų | 107.2 | 54% | 0.535 | 56% | 0.56 | S | S | . | * | trans | -81.3 | 85.2 | 172.7 | -90.8 | -19.3 | 0 | 0 | 0 | 112.8 | R657 K674 | R657-N672 PolarHBondContact NH1-OD1 2.83Å; N672-K674 PolarHBondContact O-N 2.91Å | ||
| 673 | K | 50.1 | Low | 51.8 | Low | 197 Ų | 197 | 104 Ų | 104 | 86% | 0.857 | 53% | 0.534 | S | S | * | . | P | Polyproline II helix | trans | -62.9 | 118.8 | 156 | -74.3 | -179.3 | 177.1 | 176.4 | 0 | 108.6 | Y671 F675 | Y671-K673 PolarHBondContact O-N 3.39Å; Y671-K673 VanDerWaalsContact O-N 3.1Å; K673-F675 PolarHBondContact O-N 3.23Å |
| 674 | K | 57.8 | Low | 53.8 | Low | 200 Ų | 200 | 100.7 Ų | 100.7 | 87% | 0.87 | 51% | 0.511 | S | S | * | . | P | Polyproline II helix | trans | -57.2 | 132.7 | 169.6 | -73.3 | -171.1 | 174.1 | -172.8 | 0 | 109.5 | N672 N676 | N672-K674 PolarHBondContact O-N 2.91Å; K674-N676 PolarHBondContact O-N 2.9Å |
| 675 | F | 66.2 | Low | 56 | Low | 60 Ų | 60 | 95.5 Ų | 95.5 | 26% | 0.263 | 48% | 0.481 | S | S | . | . | P | Polyproline II helix | trans | -65.1 | 121.4 | 173.8 | 179.5 | -98.2 | 0 | 0 | 0 | 109.1 | E650 L651 F654 K673 L677 W680 | E650-F675 HydrophobicContact CB-CE2 4.3Å; L651-F675 HydrophobicContact CD1-CZ 4.12Å; F654-F675 HydrophobicContact CB-CB 4.44Å; F654-F675 HydrophobicContact CB-CD1 4.4Å; F654-F675 HydrophobicContact CB-CD2 3.87Å; F654-F675 HydrophobicContact CB-CE2 4.17Å; F654-F675 HydrophobicContact CB-CG 3.99Å; F654-F675 AromaticContact CD1-CD1 3.96Å; F654-F675 HydrophobicContact CD1-CD1 3.96Å; F654-F675 HydrophobicContact CD1-CE1 4.11Å; F654-F675 HydrophobicContact CD1-CG 4.35Å; F654-F675 HydrophobicContact CD2-CB 3.43Å; F654-F675 VanDerWaalsContact CD2-CB 3.43Å; F654-F675 AromaticContact CD2-CD1 3.9Å; F654-F675 HydrophobicContact CD2-CD1 3.9Å; F654-F675 HydrophobicContact CD2-CD2 4.38Å; F654-F675 AromaticContact CD2-CG 3.67Å; F654-F675 HydrophobicContact CD2-CG 3.67Å; F654-F675 HydrophobicContact CE1-CD1 4.21Å; F654-F675 HydrophobicContact CE1-CE1 4.49Å; F654-F675 HydrophobicContact CE2-CB 3.88Å; F654-F675 HydrophobicContact CE2-CD1 4.15Å; F654-F675 HydrophobicContact CE2-CG 4.25Å; F654-F675 HydrophobicContact CG-CB 4.03Å; F654-F675 AromaticContact CG-CD1 3.8Å; F654-F675 HydrophobicContact CG-CD1 3.8Å; F654-F675 HydrophobicContact CG-CD2 4.13Å; F654-F675 HydrophobicContact CG-CE1 4.26Å; F654-F675 AromaticContact CG-CG 3.72Å; F654-F675 HydrophobicContact CG-CG 3.72Å; F654-F675 HydrophobicContact CZ-CD1 4.29Å; K673-F675 PolarHBondContact O-N 3.23Å; F675-L677 HydrophobicContact CE1-CB 4.42Å; F675-L677 HydrophobicContact CE1-CD1 4.24Å; F675-W680 HydrophobicContact CE1-CB 4.44Å; F675-W680 HydrophobicContact CE2-CB 4.13Å; F675-W680 AromaticContact CE2-CD1 3.64Å; F675-W680 AromaticContact CE2-CG 3.95Å; F675-W680 HydrophobicContact CE2-CG 3.95Å; F675-W680 HydrophobicContact CZ-CB 3.74Å; F675-W680 AromaticContact CZ-CD1 3.68Å; F675-W680 HydrophobicContact CZ-CD2 4.18Å; F675-W680 AromaticContact CZ-CG 3.56Å; F675-W680 HydrophobicContact CZ-CG 3.56Å |
| 676 | N | 72.4 | Confident | 58.1 | Low | 82 Ų | 82 | 96.4 Ų | 96.4 | 44% | 0.439 | 47% | 0.473 | S | S | . | . | trans | -105.9 | 103.4 | -177.5 | 179.2 | -20.1 | 0 | 0 | 0 | 109.1 | K674 I678 Q679 W680 | K674-N676 PolarHBondContact O-N 2.9Å; N676-I678 VanDerWaalsContact C-N 3.26Å; N676-I678 PolarHBondContact O-N 3.13Å; N676-I678 WeakPolarHBondContact OD1-CB 3.37Å; N676-I678 PolarHBondContact OD1-N 2.82Å; N676-Q679 HydrophobicContact CB-CB 3.92Å; N676-Q679 PolarHBondContact O-N 2.92Å; N676-Q679 VanDerWaalsContact O-N 3.1Å; N676-Q679 PolarHBondContact OD1-N 2.72Å; N676-Q679 VanDerWaalsContact OD1-N 3.11Å; N676-W680 PolarHBondContact O-N 2.89Å | ||
| 677 | L | 69.2 | Low | 60 | Low | 71 Ų | 71 | 94 Ų | 94 | 37% | 0.372 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -60 | -33 | -177.1 | -177.6 | 60.4 | 0 | 0 | 0 | 113.1 | F675 W680 L681 T710 | F675-L677 HydrophobicContact CE1-CB 4.42Å; F675-L677 HydrophobicContact CE1-CD1 4.24Å; L677-W680 HydrophobicContact CD1-CE3 4.26Å; L677-W680 PolarHBondContact O-N 3.21Å; L677-L681 HydrophobicContact CD1-CD1 4.34Å; L677-L681 HydrophobicContact CD1-CG 4.23Å; L677-L681 HydrophobicContact CG-CD1 4.14Å; L677-L681 HydrophobicContact CG-CG 4.47Å; L677-L681 WeakPolarHBondContact O-CB 3.28Å; L677-L681 WeakPolarHBondContact O-CG 3.44Å; L677-L681 PolarHBondContact O-N 2.94Å; L677-T710 HydrophobicContact CD2-CG2 3.75Å; L677-T710 HydrophobicContact CG-CG2 4.14Å |
| 678 | I | 72 | Confident | 62 | Low | 32 Ų | 32 | 86.6 Ų | 86.6 | 16% | 0.164 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -67.1 | -45.6 | 175.3 | -53.3 | 169 | 0 | 0 | 0 | 110 | N676 W680 L681 S682 L707 Q711 T714 | N676-I678 VanDerWaalsContact C-N 3.26Å; N676-I678 PolarHBondContact O-N 3.13Å; N676-I678 WeakPolarHBondContact OD1-CB 3.37Å; N676-I678 PolarHBondContact OD1-N 2.82Å; I678-W680 VanDerWaalsContact C-N 3.29Å; I678-W680 PolarHBondContact O-N 2.76Å; I678-L681 PolarHBondContact O-N 3.22Å; I678-S682 WeakPolarHBondContact O-CB 3.4Å; I678-S682 PolarHBondContact O-N 2.94Å; I678-L707 HydrophobicContact CG2-CD1 3.63Å; I678-L707 HydrophobicContact CG2-CG 3.95Å; I678-Q711 HydrophobicContact CD1-CB 3.85Å; I678-Q711 HydrophobicContact CD1-CG 4.04Å; I678-T714 WeakPolarHBondContact CD1-OG1 3.28Å |
| 679 | Q | 77.3 | Confident | 64 | Low | 99 Ų | 99 | 78.6 Ų | 78.6 | 46% | 0.463 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -64.1 | -38.7 | 177.3 | -173 | 61.9 | 65 | 0 | 0 | 110.9 | N676 N683 | N676-Q679 HydrophobicContact CB-CB 3.92Å; N676-Q679 PolarHBondContact O-N 2.92Å; N676-Q679 VanDerWaalsContact O-N 3.1Å; N676-Q679 PolarHBondContact OD1-N 2.72Å; N676-Q679 VanDerWaalsContact OD1-N 3.11Å; Q679-N683 PolarHBondContact NE2-OD1 2.81Å; Q679-N683 WeakPolarHBondContact O-CB 3.44Å; Q679-N683 PolarHBondContact O-N 3.43Å; Q679-N683 PolarHBondContact O-ND2 2.7Å; Q679-N683 PolarHBondContact O-OD1 3.05Å |
| 680 | W | 83 | Confident | 65.9 | Low | 27 Ų | 27 | 76.1 Ų | 76.1 | 10% | 0.102 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -65.6 | -47.8 | 176.2 | -173.3 | 86.9 | 0 | 0 | 0 | 112.1 | C647 L651 F675 N676 L677 I678 N683 A684 L689 | C647-W680 HydrophobicContact CB-CZ2 4.41Å; C647-W680 PolarHBondContact O-NE1 3.49Å; L651-W680 HydrophobicContact CB-CZ2 4.03Å; L651-W680 HydrophobicContact CD1-CH2 4.47Å; L651-W680 HydrophobicContact CD1-CZ2 4.12Å; L651-W680 HydrophobicContact CD2-CH2 4.26Å; L651-W680 HydrophobicContact CD2-CZ2 3.94Å; L651-W680 HydrophobicContact CG-CZ2 4.26Å; F675-W680 HydrophobicContact CE1-CB 4.44Å; F675-W680 HydrophobicContact CE2-CB 4.13Å; F675-W680 AromaticContact CE2-CD1 3.64Å; F675-W680 AromaticContact CE2-CG 3.95Å; F675-W680 HydrophobicContact CE2-CG 3.95Å; F675-W680 HydrophobicContact CZ-CB 3.74Å; F675-W680 AromaticContact CZ-CD1 3.68Å; F675-W680 HydrophobicContact CZ-CD2 4.18Å; F675-W680 AromaticContact CZ-CG 3.56Å; F675-W680 HydrophobicContact CZ-CG 3.56Å; N676-W680 PolarHBondContact O-N 2.89Å; L677-W680 HydrophobicContact CD1-CE3 4.26Å; L677-W680 PolarHBondContact O-N 3.21Å; I678-W680 VanDerWaalsContact C-N 3.29Å; I678-W680 PolarHBondContact O-N 2.76Å; W680-N683 PolarHBondContact O-N 3.42Å; W680-A684 HydrophobicContact CE3-CB 4.39Å; W680-A684 HydrophobicContact CH2-CB 4.33Å; W680-A684 HydrophobicContact CZ3-CB 4.25Å; W680-A684 VanDerWaalsContact O-CB 3.28Å; W680-A684 WeakPolarHBondContact O-CB 3.27Å; W680-A684 PolarHBondContact O-N 2.79Å; W680-L689 HydrophobicContact CZ2-CD2 4.28Å |
| 681 | L | 73.2 | Confident | 67.5 | Low | 14 Ų | 14 | 74.4 Ų | 74.4 | 7% | 0.073 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63.1 | -41.9 | 175.8 | -76.1 | 171.6 | 0 | 0 | 0 | 112 | L677 I678 N683 A684 W685 L690 F703 L706 L707 T710 | L677-L681 HydrophobicContact CD1-CD1 4.34Å; L677-L681 HydrophobicContact CD1-CG 4.23Å; L677-L681 HydrophobicContact CG-CD1 4.14Å; L677-L681 HydrophobicContact CG-CG 4.47Å; L677-L681 WeakPolarHBondContact O-CB 3.28Å; L677-L681 WeakPolarHBondContact O-CG 3.44Å; L677-L681 PolarHBondContact O-N 2.94Å; I678-L681 PolarHBondContact O-N 3.22Å; L681-N683 VanDerWaalsContact C-N 3.35Å; L681-N683 PolarHBondContact O-N 3.01Å; L681-A684 PolarHBondContact O-N 2.99Å; L681-W685 WeakPolarHBondContact O-CB 3.47Å; L681-W685 PolarHBondContact O-N 3.06Å; L681-L690 HydrophobicContact CD2-CD1 4.28Å; L681-F703 HydrophobicContact CB-CE2 4.34Å; L681-L706 HydrophobicContact CD1-CD2 4.28Å; L681-L706 HydrophobicContact CD1-CG 4.18Å; L681-L706 HydrophobicContact CD2-CD2 3.93Å; L681-L707 HydrophobicContact CB-CD1 4.17Å; L681-T710 HydrophobicContact CD1-CG2 3.69Å |
| 682 | S | 75.9 | Confident | 68.9 | Low | 44 Ų | 44 | 65.7 Ų | 65.7 | 31% | 0.308 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -59.9 | -42.6 | 174 | -174.5 | 0 | 0 | 0 | 0 | 112 | I678 R686 | I678-S682 WeakPolarHBondContact O-CB 3.4Å; I678-S682 PolarHBondContact O-N 2.94Å; S682-R686 WeakPolarHBondContact O-CB 3.49Å; S682-R686 PolarHBondContact O-N 3.14Å |
| 683 | N | 75 | Confident | 69.4 | Low | 30 Ų | 30 | 62.3 Ų | 62.3 | 16% | 0.16 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.9 | -49 | 172.9 | -69.6 | -11.8 | 0 | 0 | 0 | 111.4 | Q679 W680 L681 W685 R686 Y687 | Q679-N683 PolarHBondContact NE2-OD1 2.81Å; Q679-N683 WeakPolarHBondContact O-CB 3.44Å; Q679-N683 PolarHBondContact O-N 3.43Å; Q679-N683 PolarHBondContact O-ND2 2.7Å; Q679-N683 PolarHBondContact O-OD1 3.05Å; W680-N683 PolarHBondContact O-N 3.42Å; L681-N683 VanDerWaalsContact C-N 3.35Å; L681-N683 PolarHBondContact O-N 3.01Å; N683-W685 VanDerWaalsContact C-N 3.32Å; N683-W685 PolarHBondContact O-N 2.91Å; N683-R686 PolarHBondContact O-N 3.08Å; N683-Y687 HydrophobicContact CB-CD2 4.18Å; N683-Y687 HydrophobicContact CB-CE2 3.96Å; N683-Y687 WeakPolarHBondContact O-CD2 3.31Å; N683-Y687 PolarHBondContact O-N 3.27Å |
| 684 | A | 74.4 | Confident | 69.3 | Low | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.9 | -38.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | W680 L681 G688 L689 L690 | W680-A684 HydrophobicContact CE3-CB 4.39Å; W680-A684 HydrophobicContact CH2-CB 4.33Å; W680-A684 HydrophobicContact CZ3-CB 4.25Å; W680-A684 VanDerWaalsContact O-CB 3.28Å; W680-A684 WeakPolarHBondContact O-CB 3.27Å; W680-A684 PolarHBondContact O-N 2.79Å; L681-A684 PolarHBondContact O-N 2.99Å; A684-G688 CarbonylContact O-C 3.56Å; A684-G688 PolarHBondContact O-N 3.01Å; A684-L689 HydrophobicContact CB-CB 4.19Å; A684-L689 HydrophobicContact CB-CD2 4.21Å; A684-L689 WeakPolarHBondContact O-CB 3.47Å; A684-L689 PolarHBondContact O-N 2.81Å; A684-L690 HydrophobicContact CB-CD1 4.23Å; A684-L690 HydrophobicContact CB-CG 4.06Å; A684-L690 PolarHBondContact O-N 2.79Å |
| 685 | W | 74.4 | Confident | 68.9 | Low | 41 Ų | 41 | 46.8 Ų | 46.8 | 16% | 0.155 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66.1 | -54.4 | 170.2 | -171.8 | -104.7 | 0 | 0 | 0 | 111.9 | L681 N683 Y687 G688 L690 L698 D699 F703 | L681-W685 WeakPolarHBondContact O-CB 3.47Å; L681-W685 PolarHBondContact O-N 3.06Å; N683-W685 VanDerWaalsContact C-N 3.32Å; N683-W685 PolarHBondContact O-N 2.91Å; W685-Y687 PolarHBondContact O-N 3.4Å; W685-Y687 VanDerWaalsContact O-N 3.08Å; W685-G688 WeakPolarHBondContact O-CA 3.26Å; W685-G688 PolarHBondContact O-N 3.33Å; W685-L690 HydrophobicContact CB-CD1 4.3Å; W685-L690 HydrophobicContact CE3-CB 3.94Å; W685-L690 HydrophobicContact CE3-CD1 4Å; W685-L690 HydrophobicContact CZ3-CB 4.36Å; W685-L698 HydrophobicContact CH2-CB 3.97Å; W685-L698 HydrophobicContact CZ3-CB 3.65Å; W685-D699 WeakPolarHBondContact CH2-O 3.19Å; W685-F703 HydrophobicContact CB-CD1 4.26Å; W685-F703 HydrophobicContact CB-CD2 4.03Å; W685-F703 HydrophobicContact CB-CE1 3.76Å; W685-F703 HydrophobicContact CB-CE2 3.5Å; W685-F703 HydrophobicContact CB-CG 4.39Å; W685-F703 HydrophobicContact CB-CZ 3.35Å; W685-F703 AromaticContact CD1-CD1 3.6Å; W685-F703 AromaticContact CD1-CE1 3.53Å; W685-F703 HydrophobicContact CD2-CB 3.91Å; W685-F703 AromaticContact CD2-CD1 3.58Å; W685-F703 HydrophobicContact CD2-CD1 3.58Å; W685-F703 AromaticContact CD2-CD2 3.62Å; W685-F703 HydrophobicContact CD2-CD2 3.62Å; W685-F703 HydrophobicContact CD2-CE1 4.01Å; W685-F703 HydrophobicContact CD2-CE2 4.05Å; W685-F703 AromaticContact CD2-CG 3.37Å; W685-F703 HydrophobicContact CD2-CG 3.37Å; W685-F703 HydrophobicContact CD2-CZ 4.23Å; W685-F703 AromaticContact CE2-CD1 3.63Å; W685-F703 AromaticContact CE2-CG 3.65Å; W685-F703 HydrophobicContact CE3-CB 3.8Å; W685-F703 HydrophobicContact CE3-CD1 4.23Å; W685-F703 AromaticContact CE3-CD2 3.47Å; W685-F703 HydrophobicContact CE3-CD2 3.47Å; W685-F703 VanDerWaalsContact CE3-CD2 3.47Å; W685-F703 HydrophobicContact CE3-CE2 4.14Å; W685-F703 AromaticContact CE3-CG 3.53Å; W685-F703 HydrophobicContact CE3-CG 3.53Å; W685-F703 AromaticContact CG-CD1 3.58Å; W685-F703 HydrophobicContact CG-CD1 3.58Å; W685-F703 AromaticContact CG-CD2 3.89Å; W685-F703 HydrophobicContact CG-CD2 3.89Å; W685-F703 AromaticContact CG-CE1 3.48Å; W685-F703 HydrophobicContact CG-CE1 3.48Å; W685-F703 VanDerWaalsContact CG-CE1 3.48Å; W685-F703 AromaticContact CG-CE2 3.82Å; W685-F703 HydrophobicContact CG-CE2 3.82Å; W685-F703 AromaticContact CG-CG 3.78Å; W685-F703 HydrophobicContact CG-CG 3.78Å; W685-F703 AromaticContact CG-CZ 3.61Å; W685-F703 HydrophobicContact CG-CZ 3.61Å; W685-F703 HydrophobicContact CH2-CB 3.62Å; W685-F703 HydrophobicContact CH2-CG 4.21Å; W685-F703 HydrophobicContact CZ2-CB 3.7Å; W685-F703 HydrophobicContact CZ2-CD1 4.31Å; W685-F703 HydrophobicContact CZ2-CG 4.06Å; W685-F703 HydrophobicContact CZ3-CB 3.67Å; W685-F703 HydrophobicContact CZ3-CD2 4.12Å; W685-F703 AromaticContact CZ3-CG 3.96Å; W685-F703 HydrophobicContact CZ3-CG 3.96Å; W685-F703 AromaticContact NE1-CD1 3.62Å |
| 686 | R | 74.3 | Confident | 68.1 | Low | 180 Ų | 180 | 47.1 Ų | 47.1 | 68% | 0.679 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -57.1 | -29 | -177.3 | 179.6 | 178.7 | 178.2 | 178.6 | 1.3 | 113.9 | S682 N683 | S682-R686 WeakPolarHBondContact O-CB 3.49Å; S682-R686 PolarHBondContact O-N 3.14Å; N683-R686 PolarHBondContact O-N 3.08Å |
| 687 | Y | 72.6 | Confident | 67.3 | Low | 63 Ų | 63 | 49.9 Ų | 49.9 | 25% | 0.247 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | 7 | 176.7 | -53.2 | -54.1 | 0 | 0 | 0 | 113.2 | C643 Q644 N683 W685 L689 | C643-Y687 HydrophobicContact CB-CD1 3.71Å; C643-Y687 HydrophobicContact CB-CD2 3.37Å; C643-Y687 HydrophobicContact CB-CE1 3.89Å; C643-Y687 HydrophobicContact CB-CE2 3.58Å; C643-Y687 HydrophobicContact CB-CG 3.46Å; C643-Y687 VanDerWaalsContact CB-CG 3.46Å; Q644-Y687 VanDerWaalsContact CG-O 3.28Å; Q644-Y687 WeakPolarHBondContact CG-O 3.38Å; Q644-Y687 PolarHBondContact NE2-O 2.87Å; N683-Y687 HydrophobicContact CB-CD2 4.18Å; N683-Y687 HydrophobicContact CB-CE2 3.96Å; N683-Y687 WeakPolarHBondContact O-CD2 3.31Å; N683-Y687 PolarHBondContact O-N 3.27Å; W685-Y687 PolarHBondContact O-N 3.4Å; W685-Y687 VanDerWaalsContact O-N 3.08Å; Y687-L689 VanDerWaalsContact C-N 3.29Å; Y687-L689 PolarHBondContact O-N 2.84Å |
| 688 | G | 70.4 | Confident | 67 | Low | 2 Ų | 2 | 49.1 Ų | 49.1 | 2% | 0.021 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.3 | 17.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115 | F580 A684 W685 L690 E691 S692 | F580-G688 VanDerWaalsContact CE1-O 3.23Å; F580-G688 WeakPolarHBondContact CE1-O 3.39Å; F580-G688 WeakPolarHBondContact CZ-O 3.42Å; A684-G688 CarbonylContact O-C 3.56Å; A684-G688 PolarHBondContact O-N 3.01Å; W685-G688 WeakPolarHBondContact O-CA 3.26Å; W685-G688 PolarHBondContact O-N 3.33Å; G688-L690 PolarHBondContact O-N 2.83Å; G688-E691 PolarHBondContact O-N 2.82Å; G688-S692 PolarHBondContact O-N 2.79Å |
| 689 | L | 72.4 | Confident | 66.9 | Low | 19 Ų | 19 | 51.7 Ų | 51.7 | 10% | 0.099 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -59.3 | -31.6 | 173.7 | -178.4 | 61.8 | 0 | 0 | 0 | 111.4 | F538 Q644 C647 I648 W680 A684 Y687 S692 | F538-L689 HydrophobicContact CE1-CD1 3.82Å; F538-L689 HydrophobicContact CZ-CD1 3.75Å; Q644-L689 HydrophobicContact CB-CD1 4.48Å; C647-L689 HydrophobicContact CB-CD2 3.73Å; I648-L689 HydrophobicContact CD1-CD1 4.12Å; I648-L689 HydrophobicContact CG1-CD1 4.39Å; I648-L689 HydrophobicContact CG1-CD2 4.12Å; W680-L689 HydrophobicContact CZ2-CD2 4.28Å; A684-L689 HydrophobicContact CB-CB 4.19Å; A684-L689 HydrophobicContact CB-CD2 4.21Å; A684-L689 WeakPolarHBondContact O-CB 3.47Å; A684-L689 PolarHBondContact O-N 2.81Å; Y687-L689 VanDerWaalsContact C-N 3.29Å; Y687-L689 PolarHBondContact O-N 2.84Å; L689-S692 WeakPolarHBondContact O-CB 3.37Å; L689-S692 PolarHBondContact O-OG 2.84Å |
| 690 | L | 70.1 | Confident | 66.5 | Low | 26 Ų | 26 | 51 Ų | 51 | 14% | 0.136 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -20.2 | 175 | -59.5 | 177.4 | 0 | 0 | 0 | 113.6 | L681 A684 W685 G688 S692 L695 F703 | L681-L690 HydrophobicContact CD2-CD1 4.28Å; A684-L690 HydrophobicContact CB-CD1 4.23Å; A684-L690 HydrophobicContact CB-CG 4.06Å; A684-L690 PolarHBondContact O-N 2.79Å; W685-L690 HydrophobicContact CB-CD1 4.3Å; W685-L690 HydrophobicContact CE3-CB 3.94Å; W685-L690 HydrophobicContact CE3-CD1 4Å; W685-L690 HydrophobicContact CZ3-CB 4.36Å; G688-L690 PolarHBondContact O-N 2.83Å; L690-S692 PolarHBondContact O-N 3.32Å; L690-L695 WeakPolarHBondContact O-CD1 3.25Å; L690-F703 HydrophobicContact CD1-CD2 4.27Å; L690-F703 HydrophobicContact CD1-CE2 4.15Å |
| 691 | E | 65.7 | Low | 65.5 | Low | 86 Ų | 86 | 55.8 Ų | 55.8 | 40% | 0.402 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | 13 | 171.8 | -58.4 | -178 | 158.8 | 0 | 0 | 112.6 | F580 G688 | F580-E691 HydrophobicContact CZ-CB 4.08Å; G688-E691 PolarHBondContact O-N 2.82Å |
| 692 | S | 61.8 | Low | 65.2 | Low | 7 Ų | 7 | 58.3 Ų | 58.3 | 5% | 0.049 | 29% | 0.286 | C | S | . | . | trans | -64.6 | 145.7 | -163.3 | 49.6 | 0 | 0 | 0 | 0 | 113.4 | G688 L689 L690 G694 L695 | G688-S692 PolarHBondContact O-N 2.79Å; L689-S692 WeakPolarHBondContact O-CB 3.37Å; L689-S692 PolarHBondContact O-OG 2.84Å; L690-S692 PolarHBondContact O-N 3.32Å; S692-G694 PolarHBondContact O-N 3.16Å; S692-L695 PolarHBondContact O-N 3.44Å; S692-L695 VanDerWaalsContact O-N 3.16Å; S692-L695 VanDerWaalsContact OG-CD1 3.23Å; S692-L695 WeakPolarHBondContact OG-CD1 3.48Å; S692-L695 WeakPolarHBondContact OG-CG 3.07Å | ||
| 693 | P | 49.2 | Very low | 64.7 | Low | 29 Ų | 29 | 56.9 Ų | 56.9 | 19% | 0.188 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | 78.7 | -173.6 | -12.4 | 30.6 | 0 | 0 | 0 | 110.6 | W539 F580 R867 | W539-P693 HydrophobicContact CE3-CG 4.34Å; W539-P693 VanDerWaalsContact CZ3-CD 3.44Å; F580-P693 HydrophobicContact CD2-CG 3.91Å; F580-P693 HydrophobicContact CE2-CG 3.75Å; P693-R867 PolarHBondContact O-NH1 3.42Å; P693-R867 PolarHBondContact O-NH2 3.42Å |
| 694 | G | 47.9 | Very low | 64.3 | Low | 13 Ų | 13 | 58.1 Ų | 58.1 | 13% | 0.134 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 175.1 | -38.9 | -172.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | S692 | S692-G694 PolarHBondContact O-N 3.16Š|
| 695 | L | 49.1 | Very low | 63.6 | Low | 57 Ų | 57 | 61.2 Ų | 61.2 | 30% | 0.298 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -75.7 | 159.3 | 177 | -59.9 | 178.2 | 0 | 0 | 0 | 112.4 | L690 S692 F865 | L690-L695 WeakPolarHBondContact O-CD1 3.25Å; S692-L695 PolarHBondContact O-N 3.44Å; S692-L695 VanDerWaalsContact O-N 3.16Å; S692-L695 VanDerWaalsContact OG-CD1 3.23Å; S692-L695 WeakPolarHBondContact OG-CD1 3.48Å; S692-L695 WeakPolarHBondContact OG-CG 3.07Å; L695-F865 HydrophobicContact CD2-CD2 3.86Å; L695-F865 HydrophobicContact CD2-CE2 4.17Å |
| 696 | D | 50.5 | Low | 63 | Low | 67 Ų | 67 | 61.4 Ų | 61.4 | 36% | 0.358 | 30% | 0.301 | S | S | . | . | trans | -66.6 | 153.8 | 159.1 | -74.9 | -41.5 | 0 | 0 | 0 | 108.5 | L698 K869 | D696-L698 PolarHBondContact O-N 3.28Å; D696-K869 IonicContact OD1-NZ 3.71Å; D696-K869 IonicContact OD2-NZ 3.56Å; D696-K869 PolarHBondContact OD2-NZ 2.78Å | ||
| 697 | Q | 54.5 | Low | 62.3 | Low | 140 Ų | 140 | 54.7 Ų | 54.7 | 65% | 0.654 | 28% | 0.278 | S | S | * | . | trans | -80.9 | 110 | -175.3 | -82.7 | 173.8 | -100.6 | 0 | 0 | 109.5 | ||||
| 698 | L | 63.1 | Low | 61.4 | Low | 56 Ų | 56 | 53.9 Ų | 53.9 | 29% | 0.293 | 28% | 0.278 | S | S | . | . | trans | -66.8 | 145.5 | 156.4 | -78.4 | 102.1 | 0 | 0 | 0 | 109.7 | W685 D696 E702 L706 | W685-L698 HydrophobicContact CH2-CB 3.97Å; W685-L698 HydrophobicContact CZ3-CB 3.65Å; D696-L698 PolarHBondContact O-N 3.28Å; L698-E702 VanDerWaalsContact CA-OE2 3.3Å; L698-E702 WeakPolarHBondContact CA-OE2 3.48Å; L698-E702 HydrophobicContact CD2-CB 4.23Å; L698-L706 HydrophobicContact CD2-CD2 4.41Å | ||
| 699 | D | 69.6 | Low | 60.5 | Low | 85 Ų | 85 | 54.6 Ų | 54.6 | 46% | 0.455 | 28% | 0.28 | S | S | . | . | trans | -104.6 | 178.2 | 169.6 | 81.4 | 10 | 0 | 0 | 0 | 112.8 | W685 E701 E702 F703 | W685-D699 WeakPolarHBondContact CH2-O 3.19Å; D699-E701 VanDerWaalsContact C-N 3.26Å; D699-E701 PolarHBondContact O-N 2.92Å; D699-E701 WeakPolarHBondContact OD1-CA 3.32Å; D699-E701 PolarHBondContact OD1-N 3.4Å; D699-E702 PolarHBondContact OD1-N 2.92Å; D699-F703 WeakPolarHBondContact O-CB 3.41Å; D699-F703 PolarHBondContact O-N 3.33Å | ||
| 700 | D | 69.1 | Low | 59.6 | Low | 85 Ų | 85 | 54 Ų | 54 | 46% | 0.455 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63.6 | -28.5 | 179.9 | -88 | -39.9 | 0 | 0 | 0 | 112.7 | I704 | D700-I704 WeakPolarHBondContact O-CB 3.29Å; D700-I704 WeakPolarHBondContact O-CD1 3.14Å; D700-I704 WeakPolarHBondContact O-CG1 3.38Å; D700-I704 PolarHBondContact O-N 2.83Å |
| 701 | E | 63.1 | Low | 58.5 | Low | 128 Ų | 128 | 56.8 Ų | 56.8 | 60% | 0.598 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -82.3 | -42.9 | 179.3 | -62.3 | -153.9 | 171.8 | 0 | 0 | 111.4 | D699 F703 I704 N705 | D699-E701 VanDerWaalsContact C-N 3.26Å; D699-E701 PolarHBondContact O-N 2.92Å; D699-E701 WeakPolarHBondContact OD1-CA 3.32Å; D699-E701 PolarHBondContact OD1-N 3.4Å; E701-F703 VanDerWaalsContact C-N 3.31Å; E701-F703 PolarHBondContact O-N 3.29Å; E701-I704 PolarHBondContact O-N 3.01Å; E701-N705 VanDerWaalsContact O-CB 3.27Å; E701-N705 WeakPolarHBondContact O-CB 2.95Å; E701-N705 PolarHBondContact O-N 2.89Å; E701-N705 PolarHBondContact O-ND2 3.15Å |
| 702 | E | 65.6 | Low | 57.3 | Low | 66 Ų | 66 | 56.4 Ų | 56.4 | 31% | 0.308 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -56.7 | -43.3 | 168.8 | -72.8 | -177.7 | -163.2 | 0 | 0 | 111.7 | L698 D699 N705 L706 | L698-E702 VanDerWaalsContact CA-OE2 3.3Å; L698-E702 WeakPolarHBondContact CA-OE2 3.48Å; L698-E702 HydrophobicContact CD2-CB 4.23Å; D699-E702 PolarHBondContact OD1-N 2.92Å; E702-N705 WeakPolarHBondContact O-CB 3.47Å; E702-N705 PolarHBondContact O-N 3.42Å; E702-L706 WeakPolarHBondContact O-CB 3.43Å; E702-L706 PolarHBondContact O-N 3.15Å |
| 703 | F | 67.1 | Low | 56.4 | Low | 14 Ų | 14 | 56.4 Ų | 56.4 | 6% | 0.061 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -70.3 | -42.4 | 176.9 | 179.2 | -107.1 | 0 | 0 | 0 | 112.9 | L681 W685 L690 D699 E701 N705 L706 L707 | L681-F703 HydrophobicContact CB-CE2 4.34Å; W685-F703 HydrophobicContact CB-CD1 4.26Å; W685-F703 HydrophobicContact CB-CD2 4.03Å; W685-F703 HydrophobicContact CB-CE1 3.76Å; W685-F703 HydrophobicContact CB-CE2 3.5Å; W685-F703 HydrophobicContact CB-CG 4.39Å; W685-F703 HydrophobicContact CB-CZ 3.35Å; W685-F703 AromaticContact CD1-CD1 3.6Å; W685-F703 AromaticContact CD1-CE1 3.53Å; W685-F703 HydrophobicContact CD2-CB 3.91Å; W685-F703 AromaticContact CD2-CD1 3.58Å; W685-F703 HydrophobicContact CD2-CD1 3.58Å; W685-F703 AromaticContact CD2-CD2 3.62Å; W685-F703 HydrophobicContact CD2-CD2 3.62Å; W685-F703 HydrophobicContact CD2-CE1 4.01Å; W685-F703 HydrophobicContact CD2-CE2 4.05Å; W685-F703 AromaticContact CD2-CG 3.37Å; W685-F703 HydrophobicContact CD2-CG 3.37Å; W685-F703 HydrophobicContact CD2-CZ 4.23Å; W685-F703 AromaticContact CE2-CD1 3.63Å; W685-F703 AromaticContact CE2-CG 3.65Å; W685-F703 HydrophobicContact CE3-CB 3.8Å; W685-F703 HydrophobicContact CE3-CD1 4.23Å; W685-F703 AromaticContact CE3-CD2 3.47Å; W685-F703 HydrophobicContact CE3-CD2 3.47Å; W685-F703 VanDerWaalsContact CE3-CD2 3.47Å; W685-F703 HydrophobicContact CE3-CE2 4.14Å; W685-F703 AromaticContact CE3-CG 3.53Å; W685-F703 HydrophobicContact CE3-CG 3.53Å; W685-F703 AromaticContact CG-CD1 3.58Å; W685-F703 HydrophobicContact CG-CD1 3.58Å; W685-F703 AromaticContact CG-CD2 3.89Å; W685-F703 HydrophobicContact CG-CD2 3.89Å; W685-F703 AromaticContact CG-CE1 3.48Å; W685-F703 HydrophobicContact CG-CE1 3.48Å; W685-F703 VanDerWaalsContact CG-CE1 3.48Å; W685-F703 AromaticContact CG-CE2 3.82Å; W685-F703 HydrophobicContact CG-CE2 3.82Å; W685-F703 AromaticContact CG-CG 3.78Å; W685-F703 HydrophobicContact CG-CG 3.78Å; W685-F703 AromaticContact CG-CZ 3.61Å; W685-F703 HydrophobicContact CG-CZ 3.61Å; W685-F703 HydrophobicContact CH2-CB 3.62Å; W685-F703 HydrophobicContact CH2-CG 4.21Å; W685-F703 HydrophobicContact CZ2-CB 3.7Å; W685-F703 HydrophobicContact CZ2-CD1 4.31Å; W685-F703 HydrophobicContact CZ2-CG 4.06Å; W685-F703 HydrophobicContact CZ3-CB 3.67Å; W685-F703 HydrophobicContact CZ3-CD2 4.12Å; W685-F703 AromaticContact CZ3-CG 3.96Å; W685-F703 HydrophobicContact CZ3-CG 3.96Å; W685-F703 AromaticContact NE1-CD1 3.62Å; L690-F703 HydrophobicContact CD1-CD2 4.27Å; L690-F703 HydrophobicContact CD1-CE2 4.15Å; D699-F703 WeakPolarHBondContact O-CB 3.41Å; D699-F703 PolarHBondContact O-N 3.33Å; E701-F703 VanDerWaalsContact C-N 3.31Å; E701-F703 PolarHBondContact O-N 3.29Å; F703-N705 PolarHBondContact O-N 3.19Å; F703-L706 HydrophobicContact CD2-CD2 4.45Å; F703-L706 PolarHBondContact O-N 2.95Å; F703-L707 HydrophobicContact CE1-CD2 4.47Å; F703-L707 HydrophobicContact CE2-CD1 4.43Å; F703-L707 HydrophobicContact CZ-CB 4.43Å; F703-L707 HydrophobicContact CZ-CD1 3.87Å; F703-L707 WeakPolarHBondContact O-CB 3.5Å; F703-L707 PolarHBondContact O-N 2.93Å |
| 704 | I | 64.7 | Low | 55.9 | Low | 56 Ų | 56 | 56.8 Ų | 56.8 | 29% | 0.287 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -62 | -35.1 | 173.2 | -77.5 | 169.6 | 0 | 0 | 0 | 110.5 | D700 E701 N708 | D700-I704 WeakPolarHBondContact O-CB 3.29Å; D700-I704 WeakPolarHBondContact O-CD1 3.14Å; D700-I704 WeakPolarHBondContact O-CG1 3.38Å; D700-I704 PolarHBondContact O-N 2.83Å; E701-I704 PolarHBondContact O-N 3.01Å; I704-N708 VanDerWaalsContact CG2-ND2 3.31Å; I704-N708 WeakPolarHBondContact CG2-ND2 3.23Å; I704-N708 WeakPolarHBondContact O-CB 3.45Å; I704-N708 VanDerWaalsContact O-CG 3.29Å; I704-N708 PolarHBondContact O-N 3.48Å; I704-N708 PolarHBondContact O-ND2 3.15Å |
| 705 | N | 60.7 | Low | 55.2 | Low | 66 Ų | 66 | 60.4 Ų | 60.4 | 35% | 0.353 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.6 | -55.3 | 170.7 | -75.2 | -37.9 | 0 | 0 | 0 | 110.2 | E701 E702 F703 L707 N708 Y709 | E701-N705 VanDerWaalsContact O-CB 3.27Å; E701-N705 WeakPolarHBondContact O-CB 2.95Å; E701-N705 PolarHBondContact O-N 2.89Å; E701-N705 PolarHBondContact O-ND2 3.15Å; E702-N705 WeakPolarHBondContact O-CB 3.47Å; E702-N705 PolarHBondContact O-N 3.42Å; F703-N705 PolarHBondContact O-N 3.19Å; N705-L707 PolarHBondContact O-N 3.09Å; N705-N708 PolarHBondContact O-N 3.32Å; N705-Y709 WeakPolarHBondContact O-CA 3.29Å; N705-Y709 WeakPolarHBondContact O-CB 3.49Å; N705-Y709 PolarHBondContact O-N 3.28Å |
| 706 | L | 60.9 | Low | 54.5 | Low | 45 Ų | 45 | 63.1 Ų | 63.1 | 24% | 0.236 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -55.3 | -34 | 177.3 | -169.4 | 72.5 | 0 | 0 | 0 | 113.9 | L681 L698 E702 F703 Y709 T710 | L681-L706 HydrophobicContact CD1-CD2 4.28Å; L681-L706 HydrophobicContact CD1-CG 4.18Å; L681-L706 HydrophobicContact CD2-CD2 3.93Å; L698-L706 HydrophobicContact CD2-CD2 4.41Å; E702-L706 WeakPolarHBondContact O-CB 3.43Å; E702-L706 PolarHBondContact O-N 3.15Å; F703-L706 HydrophobicContact CD2-CD2 4.45Å; F703-L706 PolarHBondContact O-N 2.95Å; L706-Y709 WeakPolarHBondContact O-CB 3.33Å; L706-T710 PolarHBondContact O-N 3.06Å; L706-T710 VanDerWaalsContact O-N 3.11Å; L706-T710 PolarHBondContact O-OG1 2.73Å |
| 707 | L | 59.7 | Low | 53.7 | Low | 39 Ų | 39 | 62.7 Ų | 62.7 | 20% | 0.204 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -79.7 | -48.5 | 178.2 | -158 | 80.1 | 0 | 0 | 0 | 112.3 | I678 L681 F703 N705 Y709 T710 Q711 | I678-L707 HydrophobicContact CG2-CD1 3.63Å; I678-L707 HydrophobicContact CG2-CG 3.95Å; L681-L707 HydrophobicContact CB-CD1 4.17Å; F703-L707 HydrophobicContact CE1-CD2 4.47Å; F703-L707 HydrophobicContact CE2-CD1 4.43Å; F703-L707 HydrophobicContact CZ-CB 4.43Å; F703-L707 HydrophobicContact CZ-CD1 3.87Å; F703-L707 WeakPolarHBondContact O-CB 3.5Å; F703-L707 PolarHBondContact O-N 2.93Å; N705-L707 PolarHBondContact O-N 3.09Å; L707-Y709 PolarHBondContact O-N 2.95Å; L707-Y709 VanDerWaalsContact O-N 3.15Å; L707-T710 PolarHBondContact O-OG1 3.04Å; L707-Q711 WeakPolarHBondContact O-CB 3.38Å; L707-Q711 PolarHBondContact O-N 2.87Å |
| 708 | N | 54 | Low | 52.4 | Low | 46 Ų | 46 | 59.5 Ų | 59.5 | 25% | 0.246 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -53.8 | -33.1 | 168.7 | -83.4 | -48 | 0 | 0 | 0 | 110.7 | I704 N705 Q711 N712 | I704-N708 VanDerWaalsContact CG2-ND2 3.31Å; I704-N708 WeakPolarHBondContact CG2-ND2 3.23Å; I704-N708 WeakPolarHBondContact O-CB 3.45Å; I704-N708 VanDerWaalsContact O-CG 3.29Å; I704-N708 PolarHBondContact O-N 3.48Å; I704-N708 PolarHBondContact O-ND2 3.15Å; N705-N708 PolarHBondContact O-N 3.32Å; N708-Q711 CarbonylContact O-C 3.6Å; N708-Q711 PolarHBondContact O-N 2.94Å; N708-N712 WeakPolarHBondContact O-CB 3.34Å; N708-N712 PolarHBondContact O-N 2.73Å; N708-N712 PolarHBondContact O-ND2 3.22Å |
| 709 | Y | 51.2 | Low | 50.7 | Low | 17 Ų | 17 | 63.6 Ų | 63.6 | 7% | 0.067 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -71.1 | -57.4 | -174.9 | -175.7 | -140 | 0 | 0 | 0 | 112.4 | N705 L706 L707 Q711 N712 T713 I731 H732 V822 | N705-Y709 WeakPolarHBondContact O-CA 3.29Å; N705-Y709 WeakPolarHBondContact O-CB 3.49Å; N705-Y709 PolarHBondContact O-N 3.28Å; L706-Y709 WeakPolarHBondContact O-CB 3.33Å; L707-Y709 PolarHBondContact O-N 2.95Å; L707-Y709 VanDerWaalsContact O-N 3.15Å; Y709-Q711 PolarHBondContact O-N 3.22Å; Y709-N712 PolarHBondContact O-N 2.88Å; Y709-T713 WeakPolarHBondContact O-CG2 3.31Å; Y709-T713 PolarHBondContact O-N 2.89Å; Y709-T713 VanDerWaalsContact O-N 3.11Å; Y709-I731 HydrophobicContact CE1-CG2 3.55Å; Y709-I731 HydrophobicContact CE2-CG2 3.97Å; Y709-I731 WeakPolarHBondContact OH-CG2 3.45Å; Y709-H732 HydrophobicContact CE2-CB 4.19Å; Y709-H732 WeakPolarHBondContact CE2-O 3.35Å; Y709-H732 PolarHBondContact OH-N 2.86Å; Y709-H732 VanDerWaalsContact OH-N 3.13Å; Y709-H732 PolarHBondContact OH-O 3.02Å; Y709-V822 WeakPolarHBondContact OH-CB 3.26Å; Y709-V822 WeakPolarHBondContact OH-CG1 3.11Å; Y709-V822 WeakPolarHBondContact OH-CG2 3.18Å |
| 710 | T | 53.2 | Low | 48.9 | Very low | 7 Ų | 7 | 70.6 Ų | 70.6 | 4% | 0.043 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -62.1 | -21.9 | 171.7 | 50.7 | 0 | 0 | 0 | 0 | 112.7 | L677 L681 L706 L707 T713 T714 | L677-T710 HydrophobicContact CD2-CG2 3.75Å; L677-T710 HydrophobicContact CG-CG2 4.14Å; L681-T710 HydrophobicContact CD1-CG2 3.69Å; L706-T710 PolarHBondContact O-N 3.06Å; L706-T710 VanDerWaalsContact O-N 3.11Å; L706-T710 PolarHBondContact O-OG1 2.73Å; L707-T710 PolarHBondContact O-OG1 3.04Å; T710-T713 PolarHBondContact O-OG1 2.9Å; T710-T714 WeakPolarHBondContact O-CB 3.45Å; T710-T714 VanDerWaalsContact O-CG2 3.26Å; T710-T714 WeakPolarHBondContact O-CG2 3.31Å; T710-T714 PolarHBondContact O-N 3.28Å; T710-T714 PolarHBondContact O-OG1 3.28Å |
| 711 | Q | 47.1 | Very low | 46.8 | Very low | 83 Ų | 83 | 72.5 Ų | 72.5 | 39% | 0.388 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -76.8 | -37.4 | 169.9 | -167.2 | 166.2 | 27.8 | 0 | 0 | 113.9 | I678 L707 N708 Y709 T713 T714 L715 | I678-Q711 HydrophobicContact CD1-CB 3.85Å; I678-Q711 HydrophobicContact CD1-CG 4.04Å; L707-Q711 WeakPolarHBondContact O-CB 3.38Å; L707-Q711 PolarHBondContact O-N 2.87Å; N708-Q711 CarbonylContact O-C 3.6Å; N708-Q711 PolarHBondContact O-N 2.94Å; Y709-Q711 PolarHBondContact O-N 3.22Å; Q711-T713 VanDerWaalsContact C-N 3.33Å; Q711-T714 PolarHBondContact O-OG1 3.06Å; Q711-L715 HydrophobicContact CG-CD1 3.86Å; Q711-L715 HydrophobicContact CG-CG 4.22Å; Q711-L715 VanDerWaalsContact O-CB 3.22Å; Q711-L715 WeakPolarHBondContact O-CB 2.99Å; Q711-L715 VanDerWaalsContact O-CG 3.25Å; Q711-L715 WeakPolarHBondContact O-CG 3.38Å; Q711-L715 PolarHBondContact O-N 3.28Å |
| 712 | N | 41.7 | Very low | 45 | Very low | 79 Ų | 79 | 71.8 Ų | 71.8 | 42% | 0.422 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -67.2 | -35.8 | 174.9 | -72.8 | -45 | 0 | 0 | 0 | 111.6 | N708 Y709 I716 | N708-N712 WeakPolarHBondContact O-CB 3.34Å; N708-N712 PolarHBondContact O-N 2.73Å; N708-N712 PolarHBondContact O-ND2 3.22Å; Y709-N712 PolarHBondContact O-N 2.88Å; N712-I716 WeakPolarHBondContact O-CG1 3.5Å |
| 713 | T | 42.5 | Very low | 43.1 | Very low | 6 Ų | 6 | 73.8 Ų | 73.8 | 4% | 0.037 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -75.1 | -37.1 | -178.5 | 63.7 | 0 | 0 | 0 | 0 | 111.9 | Y709 T710 Q711 Y729 I731 | Y709-T713 WeakPolarHBondContact O-CG2 3.31Å; Y709-T713 PolarHBondContact O-N 2.89Å; Y709-T713 VanDerWaalsContact O-N 3.11Å; T710-T713 PolarHBondContact O-OG1 2.9Å; Q711-T713 VanDerWaalsContact C-N 3.33Å; T713-Y729 WeakPolarHBondContact O-CD1 3.23Å; T713-I731 HydrophobicContact CG2-CB 4.14Å; T713-I731 HydrophobicContact CG2-CD1 3.75Å; T713-I731 HydrophobicContact CG2-CG1 3.53Å |
| 714 | T | 38.5 | Very low | 41.1 | Very low | 38 Ų | 38 | 78.2 Ų | 78.2 | 23% | 0.233 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -78.9 | -32.2 | 175.1 | 53.7 | 0 | 0 | 0 | 0 | 113.8 | I678 T710 Q711 I716 S717 Y729 | I678-T714 WeakPolarHBondContact CD1-OG1 3.28Å; T710-T714 WeakPolarHBondContact O-CB 3.45Å; T710-T714 VanDerWaalsContact O-CG2 3.26Å; T710-T714 WeakPolarHBondContact O-CG2 3.31Å; T710-T714 PolarHBondContact O-N 3.28Å; T710-T714 PolarHBondContact O-OG1 3.28Å; Q711-T714 PolarHBondContact O-OG1 3.06Å; T714-I716 PolarHBondContact O-N 2.84Å; T714-S717 PolarHBondContact O-N 3.23Å; T714-S717 VanDerWaalsContact O-N 3.11Å; T714-S717 PolarHBondContact O-OG 2.69Å; T714-Y729 HydrophobicContact CG2-CD1 4.19Å; T714-Y729 HydrophobicContact CG2-CE1 3.79Å |
| 715 | L | 33.1 | Very low | 39.3 | Very low | 89 Ų | 89 | 81.1 Ų | 81.1 | 47% | 0.466 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -62.9 | -27.8 | 179.6 | -86.9 | 170.3 | 0 | 0 | 0 | 113.1 | Q711 S717 S718 | Q711-L715 HydrophobicContact CG-CD1 3.86Å; Q711-L715 HydrophobicContact CG-CG 4.22Å; Q711-L715 VanDerWaalsContact O-CB 3.22Å; Q711-L715 WeakPolarHBondContact O-CB 2.99Å; Q711-L715 VanDerWaalsContact O-CG 3.25Å; Q711-L715 WeakPolarHBondContact O-CG 3.38Å; Q711-L715 PolarHBondContact O-N 3.28Å; L715-S717 PolarHBondContact O-N 3.04Å; L715-S718 PolarHBondContact O-N 3.2Å; L715-S718 PolarHBondContact O-OG 3.27Å |
| 716 | I | 35.4 | Very low | 37.8 | Very low | 114 Ų | 114 | 82.9 Ų | 82.9 | 59% | 0.585 | 43% | 0.432 | S | S | * | . | G | 310 helix | trans | -58 | -32.8 | 176.1 | -68 | 166.5 | 0 | 0 | 0 | 111.3 | N712 T714 S718 | N712-I716 WeakPolarHBondContact O-CG1 3.5Å; T714-I716 PolarHBondContact O-N 2.84Å; I716-S718 PolarHBondContact O-N 2.95Å |
| 717 | S | 33.4 | Very low | 36.1 | Very low | 58 Ų | 58 | 85 Ų | 85 | 41% | 0.406 | 44% | 0.444 | S | S | . | . | G | 310 helix | trans | -75.3 | -2 | 178.3 | 83.6 | 0 | 0 | 0 | 0 | 115 | T714 L715 N727 | T714-S717 PolarHBondContact O-N 3.23Å; T714-S717 VanDerWaalsContact O-N 3.11Å; T714-S717 PolarHBondContact O-OG 2.69Å; L715-S717 PolarHBondContact O-N 3.04Å; S717-N727 VanDerWaalsContact CB-OD1 3.27Å; S717-N727 WeakPolarHBondContact CB-OD1 3.3Å |
| 718 | S | 27.3 | Very low | 34.7 | Very low | 73 Ų | 73 | 89.6 Ų | 89.6 | 51% | 0.51 | 47% | 0.469 | S | S | . | . | G | 310 helix | trans | -118.9 | 0.7 | -163.4 | 71.5 | 0 | 0 | 0 | 0 | 115.6 | L715 I716 | L715-S718 PolarHBondContact O-N 3.2Å; L715-S718 PolarHBondContact O-OG 3.27Å; I716-S718 PolarHBondContact O-N 2.95Å |
| 719 | N | 27.8 | Very low | 33.6 | Very low | 142 Ų | 142 | 92.8 Ų | 92.8 | 76% | 0.759 | 48% | 0.478 | S | S | * | . | S | Bend | trans | -131.9 | 33.8 | -171.8 | -146.5 | 14.4 | 0 | 0 | 0 | 114.9 | ||
| 720 | R | 30.3 | Very low | 32.5 | Very low | 232 Ų | 232 | 92.8 Ų | 92.8 | 88% | 0.875 | 48% | 0.484 | S | S | * | . | trans | -146.7 | 107.9 | 158.8 | -79.7 | -175 | -177.5 | 170.2 | 0.8 | 109 | ||||
| 721 | N | 25.9 | Very low | 31.5 | Very low | 125 Ų | 125 | 93.5 Ų | 93.5 | 67% | 0.668 | 49% | 0.487 | S | S | * | . | trans | -94.3 | 146.4 | 157.3 | -79.3 | -4.7 | 0 | 0 | 0 | 107.7 | ||||
| 722 | Y | 25.5 | Very low | 30.9 | Very low | 113 Ų | 113 | 93.9 Ų | 93.9 | 44% | 0.443 | 49% | 0.488 | S | S | . | . | S | Bend | trans | 63 | 93.3 | -175.2 | -45.5 | -87.5 | 0 | 0 | 0 | 111.1 | L1335 S1336 F1337 | Y722-L1335 HydrophobicContact CD1-CD2 3.91Å; Y722-L1335 HydrophobicContact CE1-CD2 3.64Å; Y722-S1336 VanDerWaalsContact CD1-O 3.24Å; Y722-S1336 WeakPolarHBondContact CD1-O 3.38Å; Y722-F1337 HydrophobicContact CD1-CB 4.49Å; Y722-F1337 HydrophobicContact CD2-CB 3.55Å; Y722-F1337 AromaticContact CD2-CD1 3.63Å; Y722-F1337 HydrophobicContact CD2-CD1 3.63Å; Y722-F1337 AromaticContact CD2-CD2 3.77Å; Y722-F1337 HydrophobicContact CD2-CD2 3.77Å; Y722-F1337 HydrophobicContact CD2-CE1 4.13Å; Y722-F1337 HydrophobicContact CD2-CE2 4.25Å; Y722-F1337 AromaticContact CD2-CG 3.43Å; Y722-F1337 HydrophobicContact CD2-CG 3.43Å; Y722-F1337 VanDerWaalsContact CD2-CG 3.43Å; Y722-F1337 HydrophobicContact CD2-CZ 4.41Å; Y722-F1337 HydrophobicContact CE2-CB 3.74Å; Y722-F1337 AromaticContact CE2-CD1 3.96Å; Y722-F1337 HydrophobicContact CE2-CD1 3.96Å; Y722-F1337 AromaticContact CE2-CD2 3.21Å; Y722-F1337 HydrophobicContact CE2-CD2 3.21Å; Y722-F1337 HydrophobicContact CE2-CE1 4.28Å; Y722-F1337 AromaticContact CE2-CE2 3.6Å; Y722-F1337 HydrophobicContact CE2-CE2 3.6Å; Y722-F1337 AromaticContact CE2-CG 3.42Å; Y722-F1337 HydrophobicContact CE2-CG 3.42Å; Y722-F1337 VanDerWaalsContact CE2-CG 3.42Å; Y722-F1337 HydrophobicContact CE2-CZ 4.11Å; Y722-F1337 HydrophobicContact CG-CB 3.99Å; Y722-F1337 HydrophobicContact CG-CG 4.35Å; Y722-F1337 AromaticContact CZ-CD2 3.94Å |
| 723 | T | 25.1 | Very low | 30.9 | Very low | 107 Ų | 107 | 91.2 Ų | 91.2 | 66% | 0.656 | 47% | 0.474 | S | S | * | . | S | Bend | cis | -137 | 167.1 | 24.5 | 48.9 | 0 | 0 | 0 | 0 | 114.3 | ||
| 724 | T | 25.5 | Very low | 30.7 | Very low | 107 Ų | 107 | 93.5 Ų | 93.5 | 66% | 0.656 | 49% | 0.488 | S | S | * | . | trans | -48.1 | 149.3 | 160.9 | 46.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 725 | D | 25.9 | Very low | 31 | Very low | 117 Ų | 117 | 93.7 Ų | 93.7 | 63% | 0.626 | 49% | 0.487 | S | S | * | . | cis | -135.9 | 166.8 | -24.6 | -84.3 | -53.4 | 0 | 0 | 0 | 104.7 | ||||
| 726 | N | 29.1 | Very low | 31.2 | Very low | 103 Ų | 103 | 91.3 Ų | 91.3 | 55% | 0.551 | 48% | 0.484 | S | S | * | . | -161.3 | 154.8 | 61.3 | -142 | -17.8 | 0 | 0 | 0 | 109.3 | D728 D1174 D1175 | N726-D728 PolarHBondContact O-N 3.19Å; N726-D1174 PolarHBondContact ND2-O 2.73Å; N726-D1175 WeakPolarHBondContact CB-OD2 3.04Å; N726-D1175 PolarHBondContact ND2-OD2 2.83Å | |||
| 727 | N | 25.1 | Very low | 31.4 | Very low | 90 Ų | 90 | 91.8 Ų | 91.8 | 48% | 0.481 | 49% | 0.488 | S | S | . | . | trans | -98.1 | 77.6 | -167.2 | -80.8 | -90.3 | 0 | 0 | 0 | 114.5 | S717 Y729 | S717-N727 VanDerWaalsContact CB-OD1 3.27Å; S717-N727 WeakPolarHBondContact CB-OD1 3.3Å; N727-Y729 HydrophobicContact CB-CE2 4.17Å; N727-Y729 WeakPolarHBondContact O-CD2 3.45Å; N727-Y729 WeakPolarHBondContact O-CE2 3.19Å; N727-Y729 PolarHBondContact O-N 3.14Å | ||
| 728 | D | 32 | Very low | 31.8 | Very low | 135 Ų | 135 | 98.5 Ų | 98.5 | 72% | 0.722 | 51% | 0.505 | S | S | * | . | trans | -88.2 | 108.4 | -177.9 | -136.6 | 13.2 | 0 | 0 | 0 | 112.8 | N726 G730 | N726-D728 PolarHBondContact O-N 3.19Å; D728-G730 PolarHBondContact O-N 3.49Å | ||
| 729 | Y | 29.2 | Very low | 32.8 | Very low | 113 Ų | 113 | 97.7 Ų | 97.7 | 44% | 0.443 | 49% | 0.492 | S | S | . | . | trans | -81.8 | 79.8 | -176 | -70.2 | -101.6 | 0 | 0 | 0 | 110.9 | T713 T714 N727 I731 | T713-Y729 WeakPolarHBondContact O-CD1 3.23Å; T714-Y729 HydrophobicContact CG2-CD1 4.19Å; T714-Y729 HydrophobicContact CG2-CE1 3.79Å; N727-Y729 HydrophobicContact CB-CE2 4.17Å; N727-Y729 WeakPolarHBondContact O-CD2 3.45Å; N727-Y729 WeakPolarHBondContact O-CE2 3.19Å; N727-Y729 PolarHBondContact O-N 3.14Å; Y729-I731 WeakPolarHBondContact O-CG1 3.38Å; Y729-I731 PolarHBondContact O-N 3.32Å; Y729-I731 VanDerWaalsContact O-N 3.13Å | ||
| 730 | G | 29.7 | Very low | 33.8 | Very low | 18 Ų | 18 | 95.5 Ų | 95.5 | 19% | 0.186 | 48% | 0.48 | C | S | . | . | trans | -67.5 | 103.7 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115 | D728 | D728-G730 PolarHBondContact O-N 3.49Š| ||
| 731 | I | 31.2 | Very low | 34.7 | Very low | 22 Ų | 22 | 90.6 Ų | 90.6 | 11% | 0.113 | 47% | 0.467 | C | S | . | . | B | Isolated β-bridge | trans | -93.9 | 119.4 | -171.9 | -58.6 | -132.4 | 0 | 0 | 0 | 109.6 | Y709 T713 Y729 P819 V822 | Y709-I731 HydrophobicContact CE1-CG2 3.55Å; Y709-I731 HydrophobicContact CE2-CG2 3.97Å; Y709-I731 WeakPolarHBondContact OH-CG2 3.45Å; T713-I731 HydrophobicContact CG2-CB 4.14Å; T713-I731 HydrophobicContact CG2-CD1 3.75Å; T713-I731 HydrophobicContact CG2-CG1 3.53Å; Y729-I731 WeakPolarHBondContact O-CG1 3.38Å; Y729-I731 PolarHBondContact O-N 3.32Å; Y729-I731 VanDerWaalsContact O-N 3.13Å; I731-P819 HydrophobicContact CB-CB 4.23Å; I731-P819 HydrophobicContact CB-CG 4.1Å; I731-P819 HydrophobicContact CD1-CB 4.02Å; I731-P819 HydrophobicContact CD1-CG 3.87Å; I731-P819 HydrophobicContact CG1-CB 4.24Å; I731-P819 HydrophobicContact CG1-CG 3.81Å; I731-P819 HydrophobicContact CG2-CB 4.01Å; I731-P819 HydrophobicContact CG2-CG 4.42Å; I731-V822 HydrophobicContact CG2-CG2 4.49Å; I731-V822 WeakPolarHBondContact O-CG2 3.39Å |
| 732 | H | 35.6 | Very low | 35.9 | Very low | 90 Ų | 90 | 88.1 Ų | 88.1 | 42% | 0.417 | 46% | 0.459 | S | S | . | . | trans | -107.9 | 143.1 | -161.5 | -122.1 | -68.3 | 0 | 0 | 0 | 115.5 | Y709 Q814 | Y709-H732 HydrophobicContact CE2-CB 4.19Å; Y709-H732 WeakPolarHBondContact CE2-O 3.35Å; Y709-H732 PolarHBondContact OH-N 2.86Å; Y709-H732 VanDerWaalsContact OH-N 3.13Å; Y709-H732 PolarHBondContact OH-O 3.02Å; H732-Q814 PolarHBondContact NE2-NE2 2.9Å | ||
| 733 | L | 40.4 | Very low | 36.9 | Very low | 23 Ų | 23 | 85.7 Ų | 85.7 | 12% | 0.12 | 45% | 0.453 | C | S | . | . | trans | -67.7 | 132.7 | 178.3 | -96.1 | 153.4 | 0 | 0 | 0 | 114.9 | I735 L751 L817 V822 A825 N826 L829 | L733-I735 PolarHBondContact O-N 2.93Å; L733-L751 HydrophobicContact CB-CD1 4.46Å; L733-L751 HydrophobicContact CD1-CD1 3.56Å; L733-L751 HydrophobicContact CD1-CD2 3.4Å; L733-L751 VanDerWaalsContact CD1-CD2 3.4Å; L733-L751 HydrophobicContact CD1-CG 4.08Å; L733-L817 HydrophobicContact CD1-CD1 4.49Å; L733-L817 HydrophobicContact CD1-CD2 4.26Å; L733-V822 HydrophobicContact CB-CG1 4.36Å; L733-V822 HydrophobicContact CD2-CG1 3.71Å; L733-V822 HydrophobicContact CG-CB 4.23Å; L733-V822 HydrophobicContact CG-CG1 3.66Å; L733-V822 HydrophobicContact CG-CG2 4.04Å; L733-A825 HydrophobicContact CD1-CB 4.03Å; L733-A825 HydrophobicContact CD2-CB 3.73Å; L733-A825 HydrophobicContact CG-CB 4.46Å; L733-N826 VanDerWaalsContact CD2-OD1 3.27Å; L733-N826 WeakPolarHBondContact CD2-OD1 3.36Å; L733-L829 HydrophobicContact CD2-CD1 4.41Å | ||
| 734 | T | 39.4 | Very low | 38.2 | Very low | 54 Ų | 54 | 82.2 Ų | 82.2 | 33% | 0.331 | 43% | 0.43 | S | S | . | . | trans | -96.7 | 77.1 | 177.8 | 50.1 | 0 | 0 | 0 | 0 | 110.8 | N826 | T734-N826 VanDerWaalsContact OG1-CG 3.32Å; T734-N826 PolarHBondContact OG1-ND2 3.2Å; T734-N826 PolarHBondContact OG1-OD1 3.32Å; T734-N826 VanDerWaalsContact OG1-OD1 3.08Å | ||
| 735 | I | 44.7 | Very low | 39.5 | Very low | 43 Ų | 43 | 81.1 Ų | 81.1 | 22% | 0.221 | 42% | 0.42 | C | S | . | . | trans | -76.6 | 123 | 168.1 | -47.4 | 170.2 | 0 | 0 | 0 | 107.5 | L733 Y739 I744 L747 | L733-I735 PolarHBondContact O-N 2.93Å; I735-Y739 HydrophobicContact CG2-CD2 3.59Å; I735-Y739 HydrophobicContact CG2-CE2 4.4Å; I735-Y739 HydrophobicContact CG2-CG 3.67Å; I735-I744 HydrophobicContact CG2-CG1 4.16Å; I735-L747 HydrophobicContact CD1-CD2 3.71Å; I735-L747 HydrophobicContact CG1-CD2 4.21Å | ||
| 736 | G | 36.1 | Very low | 40.7 | Very low | 38 Ų | 38 | 78.2 Ų | 78.2 | 39% | 0.392 | 41% | 0.409 | S | S | . | . | trans | -73 | 158.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y738 Y739 | G736-Y738 PolarHBondContact O-N 3.4Å; G736-Y739 PolarHBondContact O-N 2.88Å | ||
| 737 | D | 39.6 | Very low | 41.6 | Very low | 124 Ų | 124 | 74.3 Ų | 74.3 | 66% | 0.663 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -3.4 | -176.1 | -72.2 | -25.7 | 0 | 0 | 0 | 114.8 | ||
| 738 | Y | 42.5 | Very low | 42.9 | Very low | 199 Ų | 199 | 73.3 Ų | 73.3 | 78% | 0.78 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.7 | -5.7 | 179.7 | -65.5 | -73.5 | 0 | 0 | 0 | 115 | G736 D740 | G736-Y738 PolarHBondContact O-N 3.4Å; Y738-D740 PolarHBondContact O-N 3.39Å |
| 739 | Y | 48.2 | Very low | 43.6 | Very low | 57 Ų | 57 | 75.4 Ų | 75.4 | 22% | 0.224 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -77.3 | 123 | 174.6 | -76.1 | -93.6 | 0 | 0 | 0 | 110 | I735 G736 M743 I744 L829 I834 | I735-Y739 HydrophobicContact CG2-CD2 3.59Å; I735-Y739 HydrophobicContact CG2-CE2 4.4Å; I735-Y739 HydrophobicContact CG2-CG 3.67Å; G736-Y739 PolarHBondContact O-N 2.88Å; Y739-M743 HydrophobicContact CD1-CB 4.44Å; Y739-M743 HydrophobicContact CD1-CE 3.79Å; Y739-M743 HydrophobicContact CD1-SD 4.32Å; Y739-M743 HydrophobicContact CE1-CE 4.19Å; Y739-I744 WeakPolarHBondContact O-CD1 3.43Å; Y739-I744 WeakPolarHBondContact O-CG1 3.07Å; Y739-L829 HydrophobicContact CE1-CD2 3.84Å; Y739-I834 HydrophobicContact CE1-CD1 4.44Å |
| 740 | D | 50 | Low | 44.4 | Very low | 96 Ų | 96 | 71.2 Ų | 71.2 | 51% | 0.513 | 37% | 0.365 | S | S | . | . | trans | -54.5 | 149.3 | 178 | 175.2 | 50.4 | 0 | 0 | 0 | 111.7 | Y738 S742 M743 I744 | Y738-D740 PolarHBondContact O-N 3.39Å; D740-S742 PolarHBondContact O-N 3.47Å; D740-S742 VanDerWaalsContact O-N 3.11Å; D740-S742 WeakPolarHBondContact OD2-CB 3.28Å; D740-S742 PolarHBondContact OD2-N 3.09Å; D740-S742 VanDerWaalsContact OD2-N 3.1Å; D740-S742 PolarHBondContact OD2-OG 3.18Å; D740-M743 CarbonylContact O-C 3.56Å; D740-M743 WeakPolarHBondContact O-CA 3.31Å; D740-M743 PolarHBondContact O-N 3.3Å; D740-I744 PolarHBondContact O-N 2.89Å | ||
| 741 | Q | 48.4 | Very low | 45.2 | Very low | 129 Ų | 129 | 71.8 Ų | 71.8 | 60% | 0.603 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -58.6 | -30.7 | -176.4 | -144 | 73.8 | 37.6 | 0 | 0 | 111.7 | I744 D745 | Q741-I744 PolarHBondContact O-N 3.41Å; Q741-D745 WeakPolarHBondContact O-CB 3.44Å; Q741-D745 PolarHBondContact O-N 3.27Å |
| 742 | S | 51.3 | Low | 45.6 | Very low | 72 Ų | 72 | 73.1 Ų | 73.1 | 50% | 0.503 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -69.6 | -32 | 173.1 | 75.7 | 0 | 0 | 0 | 0 | 113.2 | D740 S746 | D740-S742 PolarHBondContact O-N 3.47Å; D740-S742 VanDerWaalsContact O-N 3.11Å; D740-S742 WeakPolarHBondContact OD2-CB 3.28Å; D740-S742 PolarHBondContact OD2-N 3.09Å; D740-S742 VanDerWaalsContact OD2-N 3.1Å; D740-S742 PolarHBondContact OD2-OG 3.18Å; S742-S746 WeakPolarHBondContact O-CB 3.48Å; S742-S746 PolarHBondContact O-N 3.26Å; S742-S746 PolarHBondContact O-OG 3.19Å |
| 743 | M | 45.8 | Very low | 45.9 | Very low | 62 Ų | 62 | 72 Ų | 72 | 31% | 0.305 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -78.6 | -36 | 172.2 | -86.5 | -145.6 | -75.4 | 0 | 0 | 112.3 | Y739 D740 S746 L747 I834 | Y739-M743 HydrophobicContact CD1-CB 4.44Å; Y739-M743 HydrophobicContact CD1-CE 3.79Å; Y739-M743 HydrophobicContact CD1-SD 4.32Å; Y739-M743 HydrophobicContact CE1-CE 4.19Å; D740-M743 CarbonylContact O-C 3.56Å; D740-M743 WeakPolarHBondContact O-CA 3.31Å; D740-M743 PolarHBondContact O-N 3.3Å; M743-S746 PolarHBondContact O-N 2.78Å; M743-L747 WeakPolarHBondContact O-CB 3.43Å; M743-L747 PolarHBondContact O-N 3.45Å; M743-I834 HydrophobicContact SD-CD1 4.24Å; M743-I834 HydrophobicContact SD-CG1 3.94Å |
| 744 | I | 53.2 | Low | 45.7 | Very low | 35 Ų | 35 | 74.3 Ų | 74.3 | 18% | 0.179 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -62.7 | -44.4 | 170.9 | -67.8 | 178.9 | 0 | 0 | 0 | 109.8 | I735 Y739 D740 Q741 N748 | I735-I744 HydrophobicContact CG2-CG1 4.16Å; Y739-I744 WeakPolarHBondContact O-CD1 3.43Å; Y739-I744 WeakPolarHBondContact O-CG1 3.07Å; D740-I744 PolarHBondContact O-N 2.89Å; Q741-I744 PolarHBondContact O-N 3.41Å; I744-N748 WeakPolarHBondContact CG2-ND2 3.2Å; I744-N748 WeakPolarHBondContact O-CB 3.23Å; I744-N748 PolarHBondContact O-N 2.85Å; I744-N748 PolarHBondContact O-ND2 3.23Å |
| 745 | D | 51.8 | Low | 45.6 | Very low | 83 Ų | 83 | 73.6 Ų | 73.6 | 44% | 0.444 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -71.7 | -30.6 | 174.8 | -82.1 | -3.1 | 0 | 0 | 0 | 112.6 | Q741 R749 | Q741-D745 WeakPolarHBondContact O-CB 3.44Å; Q741-D745 PolarHBondContact O-N 3.27Å; D745-R749 WeakPolarHBondContact O-CB 3.09Å; D745-R749 WeakPolarHBondContact O-CG 3.45Å; D745-R749 PolarHBondContact O-N 2.85Å |
| 746 | S | 51.6 | Low | 45.1 | Very low | 57 Ų | 57 | 73.2 Ų | 73.2 | 40% | 0.399 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -70.4 | -39.1 | 172.9 | -64.5 | 0 | 0 | 0 | 0 | 112.2 | S742 M743 R749 L750 | S742-S746 WeakPolarHBondContact O-CB 3.48Å; S742-S746 PolarHBondContact O-N 3.26Å; S742-S746 PolarHBondContact O-OG 3.19Å; M743-S746 PolarHBondContact O-N 2.78Å; S746-R749 CarbonylContact O-C 3.53Å; S746-R749 WeakPolarHBondContact O-CB 3.36Å; S746-R749 PolarHBondContact O-N 3.21Å; S746-L750 WeakPolarHBondContact O-CB 3.49Å; S746-L750 PolarHBondContact O-N 3.48Å |
| 747 | L | 48.4 | Very low | 44.9 | Very low | 20 Ų | 20 | 76 Ų | 76 | 11% | 0.105 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -81.8 | -31.1 | -179.6 | -161.9 | 143.1 | 0 | 0 | 0 | 111 | I735 M743 R749 L750 L751 L829 I834 L837 | I735-L747 HydrophobicContact CD1-CD2 3.71Å; I735-L747 HydrophobicContact CG1-CD2 4.21Å; M743-L747 WeakPolarHBondContact O-CB 3.43Å; M743-L747 PolarHBondContact O-N 3.45Å; L747-R749 VanDerWaalsContact C-N 3.34Å; L747-L750 PolarHBondContact O-N 3.4Å; L747-L751 HydrophobicContact CD2-CD1 3.62Å; L747-L751 HydrophobicContact CD2-CG 4.04Å; L747-L751 VanDerWaalsContact O-CB 3.3Å; L747-L751 WeakPolarHBondContact O-CB 3.49Å; L747-L751 WeakPolarHBondContact O-CG 3.43Å; L747-L751 PolarHBondContact O-N 3.42Å; L747-L829 HydrophobicContact CD1-CD1 4.34Å; L747-L829 HydrophobicContact CD1-CD2 3.79Å; L747-L829 HydrophobicContact CD1-CG 4.49Å; L747-I834 HydrophobicContact CD1-CD1 3.96Å; L747-L837 HydrophobicContact CD1-CD1 4.5Å |
| 748 | N | 51.5 | Low | 44.6 | Very low | 70 Ų | 70 | 76.7 Ų | 76.7 | 37% | 0.374 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -65.4 | -35.8 | 162 | -74.9 | -39 | 0 | 0 | 0 | 111.4 | I744 C752 | I744-N748 WeakPolarHBondContact CG2-ND2 3.2Å; I744-N748 WeakPolarHBondContact O-CB 3.23Å; I744-N748 PolarHBondContact O-N 2.85Å; I744-N748 PolarHBondContact O-ND2 3.23Å; N748-C752 WeakPolarHBondContact O-CA 3.4Å; N748-C752 WeakPolarHBondContact O-CB 3.34Å; N748-C752 PolarHBondContact O-N 3.32Å; N748-C752 PolarHBondContact O-SG 2.86Å |
| 749 | R | 47.6 | Very low | 43.8 | Very low | 178 Ų | 178 | 71.8 Ų | 71.8 | 67% | 0.672 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -68 | -33.7 | 171 | -82.2 | 177.7 | -158.9 | -161.3 | 8.5 | 112.5 | D745 S746 L747 C752 N753 | D745-R749 WeakPolarHBondContact O-CB 3.09Å; D745-R749 WeakPolarHBondContact O-CG 3.45Å; D745-R749 PolarHBondContact O-N 2.85Å; S746-R749 CarbonylContact O-C 3.53Å; S746-R749 WeakPolarHBondContact O-CB 3.36Å; S746-R749 PolarHBondContact O-N 3.21Å; L747-R749 VanDerWaalsContact C-N 3.34Å; R749-C752 CarbonylContact O-C 3.22Å; R749-N753 WeakPolarHBondContact O-CB 3.42Å; R749-N753 PolarHBondContact O-N 3.28Å; R749-N753 PolarHBondContact O-OD1 3.26Å; R749-N753 VanDerWaalsContact O-OD1 3.1Å |
| 750 | L | 46.7 | Very low | 42.7 | Very low | 25 Ų | 25 | 73.2 Ų | 73.2 | 13% | 0.131 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -78.5 | -38.2 | 179 | -155 | 153.8 | 0 | 0 | 0 | 111.1 | S746 L747 N753 L754 K838 | S746-L750 WeakPolarHBondContact O-CB 3.49Å; S746-L750 PolarHBondContact O-N 3.48Å; L747-L750 PolarHBondContact O-N 3.4Å; L750-N753 PolarHBondContact O-N 3.37Å; L750-L754 HydrophobicContact CD2-CD1 3.7Å; L750-L754 HydrophobicContact CD2-CG 4.14Å; L750-L754 WeakPolarHBondContact O-CB 3.37Å; L750-L754 WeakPolarHBondContact O-CG 3.44Å; L750-L754 PolarHBondContact O-N 2.75Å; L750-K838 HydrophobicContact CD1-CG 4.38Å |
| 751 | L | 45.2 | Very low | 41.6 | Very low | 30 Ų | 30 | 74.6 Ų | 74.6 | 16% | 0.157 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -66.8 | -36.6 | 167.7 | -68.3 | 171.3 | 0 | 0 | 0 | 112.4 | L733 L747 T755 L817 | L733-L751 HydrophobicContact CB-CD1 4.46Å; L733-L751 HydrophobicContact CD1-CD1 3.56Å; L733-L751 HydrophobicContact CD1-CD2 3.4Å; L733-L751 VanDerWaalsContact CD1-CD2 3.4Å; L733-L751 HydrophobicContact CD1-CG 4.08Å; L747-L751 HydrophobicContact CD2-CD1 3.62Å; L747-L751 HydrophobicContact CD2-CG 4.04Å; L747-L751 VanDerWaalsContact O-CB 3.3Å; L747-L751 WeakPolarHBondContact O-CB 3.49Å; L747-L751 WeakPolarHBondContact O-CG 3.43Å; L747-L751 PolarHBondContact O-N 3.42Å; L751-T755 PolarHBondContact O-N 3.39Å; L751-T755 PolarHBondContact O-OG1 3.03Å; L751-L817 HydrophobicContact CD2-CD2 3.92Å |
| 752 | C | 40.3 | Very low | 40.6 | Very low | 51 Ų | 51 | 75.2 Ų | 75.2 | 35% | 0.345 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -60.6 | -53.5 | 166.1 | -83 | 0 | 0 | 0 | 0 | 109.1 | N748 R749 L754 T755 T756 | N748-C752 WeakPolarHBondContact O-CA 3.4Å; N748-C752 WeakPolarHBondContact O-CB 3.34Å; N748-C752 PolarHBondContact O-N 3.32Å; N748-C752 PolarHBondContact O-SG 2.86Å; R749-C752 CarbonylContact O-C 3.22Å; C752-L754 VanDerWaalsContact C-N 3.34Å; C752-L754 PolarHBondContact O-N 2.7Å; C752-T755 WeakPolarHBondContact CA-OG1 2.99Å; C752-T755 CarbonylContact O-C 3.56Å; C752-T755 VanDerWaalsContact O-CA 3.28Å; C752-T755 WeakPolarHBondContact O-CA 3.26Å; C752-T755 PolarHBondContact O-N 3.19Å; C752-T755 PolarHBondContact O-OG1 3.23Å; C752-T756 VanDerWaalsContact O-CA 3.27Å; C752-T756 WeakPolarHBondContact O-CA 3.32Å; C752-T756 WeakPolarHBondContact O-CB 3.37Å; C752-T756 PolarHBondContact O-N 3.35Å; C752-T756 PolarHBondContact O-OG1 2.78Å |
| 753 | N | 40.7 | Very low | 39.5 | Very low | 67 Ų | 67 | 76.8 Ų | 76.8 | 36% | 0.358 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -57.8 | -42.5 | -179.6 | -76 | 13.4 | 0 | 0 | 0 | 112.2 | R749 L750 T755 T756 E757 | R749-N753 WeakPolarHBondContact O-CB 3.42Å; R749-N753 PolarHBondContact O-N 3.28Å; R749-N753 PolarHBondContact O-OD1 3.26Å; R749-N753 VanDerWaalsContact O-OD1 3.1Å; L750-N753 PolarHBondContact O-N 3.37Å; N753-T755 PolarHBondContact O-N 3.44Å; N753-T755 VanDerWaalsContact O-N 3.07Å; N753-T756 PolarHBondContact O-N 3.05Å; N753-T756 VanDerWaalsContact O-N 3.09Å; N753-E757 HydrophobicContact CB-CG 4Å; N753-E757 VanDerWaalsContact O-CB 3.32Å; N753-E757 WeakPolarHBondContact O-CB 3.46Å; N753-E757 PolarHBondContact O-N 3.12Å |
| 754 | L | 37.2 | Very low | 38.5 | Very low | 71 Ų | 71 | 80.2 Ų | 80.2 | 37% | 0.372 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -61.3 | -17.4 | 171.8 | -70.8 | 168.6 | 0 | 0 | 0 | 114.1 | L750 C752 | L750-L754 HydrophobicContact CD2-CD1 3.7Å; L750-L754 HydrophobicContact CD2-CG 4.14Å; L750-L754 WeakPolarHBondContact O-CB 3.37Å; L750-L754 WeakPolarHBondContact O-CG 3.44Å; L750-L754 PolarHBondContact O-N 2.75Å; C752-L754 VanDerWaalsContact C-N 3.34Å; C752-L754 PolarHBondContact O-N 2.7Å |
| 755 | T | 37.4 | Very low | 37.3 | Very low | 39 Ų | 39 | 84 Ų | 84 | 24% | 0.239 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -114.4 | -1.7 | 174 | 55.6 | 0 | 0 | 0 | 0 | 114.5 | L751 C752 N753 | L751-T755 PolarHBondContact O-N 3.39Å; L751-T755 PolarHBondContact O-OG1 3.03Å; C752-T755 WeakPolarHBondContact CA-OG1 2.99Å; C752-T755 CarbonylContact O-C 3.56Å; C752-T755 VanDerWaalsContact O-CA 3.28Å; C752-T755 WeakPolarHBondContact O-CA 3.26Å; C752-T755 PolarHBondContact O-N 3.19Å; C752-T755 PolarHBondContact O-OG1 3.23Å; N753-T755 PolarHBondContact O-N 3.44Å; N753-T755 VanDerWaalsContact O-N 3.07Å |
| 756 | T | 33 | Very low | 36.1 | Very low | 35 Ų | 35 | 87.7 Ų | 87.7 | 22% | 0.215 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -140.5 | -13.2 | -163.8 | -46 | 0 | 0 | 0 | 0 | 113 | C752 N753 Q758 L759 T760 | C752-T756 VanDerWaalsContact O-CA 3.27Å; C752-T756 WeakPolarHBondContact O-CA 3.32Å; C752-T756 WeakPolarHBondContact O-CB 3.37Å; C752-T756 PolarHBondContact O-N 3.35Å; C752-T756 PolarHBondContact O-OG1 2.78Å; N753-T756 PolarHBondContact O-N 3.05Å; N753-T756 VanDerWaalsContact O-N 3.09Å; T756-Q758 PolarHBondContact O-N 3.34Å; T756-L759 HydrophobicContact CG2-CB 4.34Å; T756-L759 CarbonylContact O-C 3.57Å; T756-L759 VanDerWaalsContact O-CA 3.27Å; T756-L759 WeakPolarHBondContact O-CA 3.49Å; T756-L759 PolarHBondContact O-N 2.8Å; T756-T760 PolarHBondContact O-N 3.26Å |
| 757 | E | 33.6 | Very low | 35 | Very low | 95 Ų | 95 | 90.8 Ų | 90.8 | 44% | 0.444 | 47% | 0.47 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -5.7 | 155.1 | -69.9 | -162.1 | 170.7 | 0 | 0 | 112 | N753 | N753-E757 HydrophobicContact CB-CG 4Å; N753-E757 VanDerWaalsContact O-CB 3.32Å; N753-E757 WeakPolarHBondContact O-CB 3.46Å; N753-E757 PolarHBondContact O-N 3.12Å |
| 758 | Q | 33.5 | Very low | 34 | Very low | 139 Ų | 139 | 98.2 Ų | 98.2 | 65% | 0.65 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -10.8 | 155.2 | -64.4 | -163 | -6.9 | 0 | 0 | 112.7 | T756 | T756-Q758 PolarHBondContact O-N 3.34Š|
| 759 | L | 25.3 | Very low | 32.8 | Very low | 96 Ų | 96 | 99.9 Ų | 99.9 | 50% | 0.503 | 52% | 0.517 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -140.2 | -2.6 | -162.6 | -81.2 | 170.3 | 0 | 0 | 0 | 118.5 | T756 | T756-L759 HydrophobicContact CG2-CB 4.34Å; T756-L759 CarbonylContact O-C 3.57Å; T756-L759 VanDerWaalsContact O-CA 3.27Å; T756-L759 WeakPolarHBondContact O-CA 3.49Å; T756-L759 PolarHBondContact O-N 2.8Å |
| 760 | T | 24.9 | Very low | 31.8 | Very low | 87 Ų | 87 | 99.3 Ų | 99.3 | 53% | 0.534 | 52% | 0.521 | S | S | . | . | trans | -155.3 | 127.8 | 159.8 | 47.5 | 0 | 0 | 0 | 0 | 113.2 | T756 | T756-T760 PolarHBondContact O-N 3.26Š| ||
| 761 | N | 27.4 | Very low | 30.9 | Very low | 126 Ų | 126 | 102.7 Ų | 102.7 | 67% | 0.674 | 54% | 0.543 | S | S | * | . | trans | -156.2 | 100.9 | 159.7 | -144.9 | -14.7 | 0 | 0 | 0 | 111.4 | ||||
| 762 | H | 25.7 | Very low | 30.2 | Very low | 141 Ų | 141 | 106.1 Ų | 106.1 | 65% | 0.653 | 56% | 0.564 | S | S | * | * | trans | 165.3 | 135.3 | 155.5 | -97.9 | -63.1 | 0 | 0 | 0 | 111.7 | Y932 | H762-Y932 HydrophobicContact CB-CD1 4.3Å; H762-Y932 HydrophobicContact CB-CD2 3.7Å; H762-Y932 HydrophobicContact CB-CE2 4.43Å; H762-Y932 HydrophobicContact CB-CG 3.62Å; H762-Y932 VanDerWaalsContact O-CD1 3.31Å; H762-Y932 WeakPolarHBondContact O-CD1 3.41Å | ||
| 763 | P | 28.7 | Very low | 29.7 | Very low | 106 Ų | 106 | 110 Ų | 110 | 69% | 0.688 | 58% | 0.582 | S | S | * | * | trans | -129.4 | 133 | 158 | 34.9 | -21 | 0 | 0 | 0 | 114 | ||||
| 764 | L | 25.1 | Very low | 29.3 | Very low | 133 Ų | 133 | 112.3 Ų | 112.3 | 70% | 0.696 | 59% | 0.594 | S | S | * | * | trans | 37.7 | 149.3 | 138.1 | -55.8 | 166.3 | 0 | 0 | 0 | 122.6 | N933 | L764-N933 WeakPolarHBondContact CD2-OD1 3.38Š| ||
| 765 | N | 28 | Very low | 29 | Very low | 116 Ų | 116 | 114.9 Ų | 114.9 | 62% | 0.62 | 61% | 0.609 | S | S | * | * | cis | -173.9 | 140.2 | -37.4 | -161.6 | 25 | 0 | 0 | 0 | 107.9 | N933 | N765-N933 PolarHBondContact OD1-ND2 2.91Š| ||
| 766 | M | 27.1 | Very low | 28.7 | Very low | 159 Ų | 159 | 118.4 Ų | 118.4 | 78% | 0.783 | 63% | 0.629 | S | S | * | * | trans | -152.9 | 122.9 | 165.6 | -95.4 | -59.5 | 173.7 | 0 | 0 | 113.1 | ||||
| 767 | N | 28.6 | Very low | 28.6 | Very low | 123 Ų | 123 | 123 Ų | 123 | 66% | 0.658 | 65% | 0.653 | S | S | * | * | trans | 41 | 122.2 | 147.7 | -62.3 | -9.7 | 0 | 0 | 0 | 122.3 | ||||
| 768 | H | 25.9 | Very low | 28.6 | Very low | 175 Ų | 175 | 125.9 Ų | 125.9 | 81% | 0.81 | 67% | 0.671 | S | S | * | * | 37.9 | 139.9 | 115.7 | -78.2 | -63.4 | 0 | 0 | 0 | 120.3 | |||||
| 769 | T | 27 | Very low | 28.7 | Very low | 106 Ų | 106 | 126.6 Ų | 126.6 | 65% | 0.65 | 68% | 0.679 | S | S | * | * | cis | -158.6 | 155.2 | 29.2 | 40 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 770 | H | 27.6 | Very low | 29.1 | Very low | 166 Ų | 166 | 128.6 Ų | 128.6 | 77% | 0.769 | 69% | 0.691 | S | S | * | * | trans | 67.9 | 160.2 | 139.3 | -83.4 | -120.1 | 0 | 0 | 0 | 119.9 | ||||
| 771 | V | 26.7 | Very low | 29.5 | Very low | 95 Ų | 95 | 130.9 Ų | 130.9 | 58% | 0.576 | 70% | 0.7 | S | S | * | * | cis | -165.6 | 126.5 | -31.7 | 104.2 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 772 | V | 30.1 | Very low | 29.8 | Very low | 102 Ų | 102 | 130.8 Ų | 130.8 | 62% | 0.618 | 70% | 0.699 | S | S | * | * | 79.4 | 170.8 | 95 | 171.2 | 0 | 0 | 0 | 0 | 112.7 | D774 | V772-D774 WeakPolarHBondContact CG1-OD2 3.17Š| |||
| 773 | D | 31.2 | Very low | 29.9 | Very low | 132 Ų | 132 | 128.4 Ų | 128.4 | 71% | 0.706 | 70% | 0.697 | S | S | * | * | trans | 85 | 100.4 | -179.6 | -52.7 | -72.8 | 0 | 0 | 0 | 113.2 | ||||
| 774 | D | 31 | Very low | 29.9 | Very low | 117 Ų | 117 | 130.5 Ų | 130.5 | 63% | 0.626 | 70% | 0.701 | S | S | * | * | cis | 74.4 | 145 | 35.8 | -40.9 | -22 | 0 | 0 | 0 | 110.7 | V772 | V772-D774 WeakPolarHBondContact CG1-OD2 3.17Š| ||
| 775 | D | 30.8 | Very low | 30.4 | Very low | 125 Ų | 125 | 129.3 Ų | 129.3 | 67% | 0.668 | 70% | 0.701 | S | S | * | * | cis | -148 | 171.9 | -1.2 | -116.6 | -4.2 | 0 | 0 | 0 | 108.5 | ||||
| 776 | V | 32 | Very low | 30.4 | Very low | 112 Ų | 112 | 128.1 Ų | 128.1 | 68% | 0.679 | 70% | 0.702 | S | S | * | * | 58.5 | 136.1 | 77.7 | -155.4 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 777 | D | 30.8 | Very low | 30.4 | Very low | 133 Ų | 133 | 129 Ų | 129 | 71% | 0.711 | 70% | 0.702 | S | S | * | * | -170 | -172.5 | 72.5 | -117 | -57.3 | 0 | 0 | 0 | 115.1 | |||||
| 778 | D | 33.8 | Very low | 30.3 | Very low | 154 Ų | 154 | 133.1 Ų | 133.1 | 82% | 0.824 | 71% | 0.708 | S | S | * | * | trans | 122.3 | 122.6 | 156.8 | -66.7 | 4.3 | 0 | 0 | 0 | 112.4 | ||||
| 779 | D | 35.3 | Very low | 30.4 | Very low | 154 Ų | 154 | 132.2 Ų | 132.2 | 82% | 0.824 | 70% | 0.704 | S | S | * | * | cis | -169.4 | 157.8 | -7.6 | -161.1 | 19 | 0 | 0 | 0 | 105.4 | ||||
| 780 | D | 34.3 | Very low | 30.4 | Very low | 138 Ų | 138 | 131.6 Ų | 131.6 | 74% | 0.738 | 70% | 0.704 | S | S | * | * | cis | -139.6 | 179.7 | 4 | 59.3 | -134.5 | 0 | 0 | 0 | 108.2 | ||||
| 781 | D | 33.3 | Very low | 30.3 | Very low | 136 Ų | 136 | 132.3 Ų | 132.3 | 73% | 0.727 | 71% | 0.705 | S | S | * | * | cis | -152.3 | -167.4 | -10.9 | -153.4 | 6.3 | 0 | 0 | 0 | 105.1 | ||||
| 782 | D | 32.4 | Very low | 30.2 | Very low | 124 Ų | 124 | 137.2 Ų | 137.2 | 66% | 0.663 | 71% | 0.714 | S | S | * | * | cis | -150.6 | 116.3 | 4.7 | 170.9 | 45.2 | 0 | 0 | 0 | 109.6 | ||||
| 783 | C | 29.1 | Very low | 30 | Very low | 90 Ų | 90 | 141.9 Ų | 141.9 | 61% | 0.608 | 72% | 0.721 | S | S | * | * | trans | 39.4 | 159.6 | 139.3 | -57.1 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 784 | I | 29 | Very low | 29.7 | Very low | 151 Ų | 151 | 145.2 Ų | 145.2 | 77% | 0.774 | 72% | 0.724 | S | S | * | * | cis | -162 | 159.9 | -17.2 | -109.8 | 167.2 | 0 | 0 | 0 | 109.8 | ||||
| 785 | P | 33.8 | Very low | 29.5 | Very low | 107 Ų | 107 | 145.9 Ų | 145.9 | 70% | 0.695 | 73% | 0.726 | S | S | * | * | trans | -124.7 | 173.9 | -166.6 | 43 | -32.2 | 0 | 0 | 0 | 119.6 | ||||
| 786 | S | 28.3 | Very low | 29.1 | Very low | 92 Ų | 92 | 145.7 Ų | 145.7 | 64% | 0.643 | 72% | 0.724 | S | S | * | * | trans | 87.7 | 135.5 | 144.6 | 80.2 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 787 | K | 26.9 | Very low | 28.8 | Very low | 177 Ų | 177 | 147.9 Ų | 147.9 | 77% | 0.77 | 73% | 0.727 | S | S | * | * | 169.2 | 136.7 | 116 | -94.1 | 155.9 | -173.4 | 153.2 | 0 | 119.3 | |||||
| 788 | R | 26.7 | Very low | 28.5 | Very low | 210 Ų | 210 | 146.4 Ų | 146.4 | 79% | 0.792 | 73% | 0.728 | S | S | * | * | trans | 86.7 | 117.7 | 137.8 | -73.3 | 178.5 | 166.3 | 167 | -1.7 | 126.1 | ||||
| 789 | H | 27.5 | Very low | 28 | Very low | 156 Ų | 156 | 146.8 Ų | 146.8 | 72% | 0.722 | 73% | 0.726 | S | S | * | * | 74.2 | 91.8 | 126.9 | -66.3 | -49.1 | 0 | 0 | 0 | 126.4 | |||||
| 790 | S | 27.9 | Very low | 27.5 | Very low | 93 Ų | 93 | 146.2 Ų | 146.2 | 65% | 0.65 | 72% | 0.723 | S | S | * | * | 63.9 | 135.7 | 105.6 | 77.2 | 0 | 0 | 0 | 0 | 126.5 | |||||
| 791 | K | 24.9 | Very low | 27 | Very low | 180 Ų | 180 | 144.9 Ų | 144.9 | 78% | 0.783 | 72% | 0.72 | S | S | * | * | trans | 118.9 | 116.6 | 134.8 | -83.4 | 176.2 | 177.5 | 173.6 | 0 | 122.3 | ||||
| 792 | Y | 26.1 | Very low | 26.7 | Very low | 198 Ų | 198 | 146.7 Ų | 146.7 | 78% | 0.776 | 72% | 0.724 | S | S | * | * | trans | 89.3 | 122.8 | 134.8 | -84.3 | -52 | 0 | 0 | 0 | 126.6 | ||||
| 793 | R | 24.8 | Very low | 26.3 | Very low | 201 Ų | 201 | 145.2 Ų | 145.2 | 76% | 0.758 | 72% | 0.723 | S | S | * | * | trans | 88.6 | 108.4 | 134.1 | -93.7 | -175.5 | -177.8 | -175.1 | 1.6 | 124.6 | ||||
| 794 | R | 25.3 | Very low | 26.3 | Very low | 202 Ų | 202 | 149.2 Ų | 149.2 | 76% | 0.762 | 74% | 0.737 | S | S | * | * | 69.4 | 129.7 | 121.1 | -85.1 | -173.3 | 177.3 | -164.4 | 0.7 | 123.9 | |||||
| 795 | I | 25.7 | Very low | 26.1 | Very low | 130 Ų | 130 | 153.1 Ų | 153.1 | 67% | 0.667 | 74% | 0.741 | S | S | * | * | trans | 100.5 | 113 | 130.3 | -77.7 | 174.1 | 0 | 0 | 0 | 121.2 | ||||
| 796 | D | 24 | Very low | 25.8 | Very low | 121 Ų | 121 | 156.2 Ų | 156.2 | 65% | 0.647 | 75% | 0.75 | S | S | * | * | trans | 84.9 | 130 | 135.5 | -74.3 | 36.1 | 0 | 0 | 0 | 128.5 | ||||
| 797 | Q | 25.2 | Very low | 25.7 | Very low | 158 Ų | 158 | 162.9 Ų | 162.9 | 74% | 0.738 | 76% | 0.761 | S | S | * | * | trans | 81.5 | 97.3 | 133.9 | -72.2 | 175.4 | 49.4 | 0 | 0 | 124.4 | ||||
| 798 | S | 23.9 | Very low | 25.6 | Very low | 103 Ų | 103 | 164.5 Ų | 164.5 | 72% | 0.72 | 77% | 0.769 | S | S | * | * | 92.7 | 164.2 | 116.9 | 83.1 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 799 | M | 24.6 | Very low | 25.7 | Very low | 161 Ų | 161 | 160.5 Ų | 160.5 | 79% | 0.793 | 77% | 0.767 | S | S | * | * | trans | 75.9 | 84 | 165.7 | -60.7 | -57.3 | 169.1 | 0 | 0 | 122 | ||||
| 800 | N | 24 | Very low | 25.6 | Very low | 142 Ų | 142 | 162.7 Ų | 162.7 | 76% | 0.759 | 78% | 0.775 | S | S | * | * | 51.4 | 132.6 | 113 | -97.5 | -16.7 | 0 | 0 | 0 | 123.8 | |||||
| 801 | V | 23.7 | Very low | 25.6 | Very low | 110 Ų | 110 | 167.3 Ų | 167.3 | 67% | 0.667 | 78% | 0.783 | S | S | * | * | 101.8 | 129.6 | 127.3 | 161.2 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 802 | H | 27 | Very low | 25.7 | Very low | 175 Ų | 175 | 168.1 Ų | 168.1 | 81% | 0.81 | 79% | 0.787 | S | S | * | * | trans | 75.8 | 146.5 | 165.4 | -76.1 | 3.6 | 0 | 0 | 0 | 120.5 | ||||
| 803 | S | 23.5 | Very low | 25.9 | Very low | 92 Ų | 92 | 165.6 Ų | 165.6 | 64% | 0.643 | 78% | 0.777 | S | S | * | * | 179.1 | 132.9 | -50.2 | 45.8 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 804 | I | 29.8 | Very low | 26.3 | Very low | 175 Ų | 175 | 163.4 Ų | 163.4 | 90% | 0.897 | 78% | 0.775 | S | S | * | * | trans | -134.9 | 146.8 | 158.5 | -62.5 | -174.9 | 0 | 0 | 0 | 109.6 | ||||
| 805 | R | 24.3 | Very low | 26.8 | Very low | 232 Ų | 232 | 159.7 Ų | 159.7 | 88% | 0.875 | 76% | 0.762 | S | S | * | * | trans | -74.5 | 160.2 | -178.4 | -69.2 | 172.5 | 166.2 | 158.1 | -4.4 | 111.1 | ||||
| 806 | I | 27.4 | Very low | 27.2 | Very low | 172 Ų | 172 | 156.8 Ų | 156.8 | 88% | 0.882 | 75% | 0.753 | S | S | * | * | -159 | 162.5 | 84.7 | -88.2 | 160.7 | 0 | 0 | 0 | 112.3 | |||||
| 807 | R | 26.4 | Very low | 27.9 | Very low | 232 Ų | 232 | 153 Ų | 153 | 88% | 0.875 | 73% | 0.733 | S | S | * | * | trans | -69.3 | 148.5 | -158.9 | -62.3 | 166.9 | 171.5 | 147.8 | -5.2 | 116.3 | ||||
| 808 | K | 25.2 | Very low | 28.5 | Very low | 212 Ų | 212 | 147.9 Ų | 147.9 | 92% | 0.922 | 71% | 0.711 | S | S | * | * | trans | -84 | 149.2 | 155.6 | -67.4 | 179.8 | 177.6 | 178.2 | 0 | 110.8 | ||||
| 809 | V | 28.7 | Very low | 29.2 | Very low | 126 Ų | 126 | 145.6 Ų | 145.6 | 76% | 0.764 | 69% | 0.693 | S | S | * | * | trans | -134.8 | 138.6 | 165.1 | 176.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 810 | K | 26 | Very low | 29.9 | Very low | 202 Ų | 202 | 139.7 Ų | 139.7 | 88% | 0.878 | 67% | 0.667 | S | S | * | * | trans | -93.3 | 140.7 | 174 | -62.6 | 179.8 | 178.4 | -177.9 | 0 | 110.1 | ||||
| 811 | K | 27.6 | Very low | 31 | Very low | 189 Ų | 189 | 136.1 Ų | 136.1 | 82% | 0.822 | 64% | 0.643 | S | S | * | * | trans | -116.3 | 139.9 | 155 | -82.2 | -175.8 | 175.1 | 177.8 | 0 | 108.6 | ||||
| 812 | K | 26.6 | Very low | 32.1 | Very low | 198 Ų | 198 | 130.9 Ų | 130.9 | 86% | 0.861 | 61% | 0.611 | S | S | * | * | trans | -86.6 | 136.9 | 166.9 | -70.6 | -177.6 | 175.2 | -176.5 | 0 | 108.3 | ||||
| 813 | Y | 31.3 | Very low | 32.9 | Very low | 145 Ų | 145 | 126.8 Ų | 126.8 | 57% | 0.569 | 60% | 0.595 | S | S | * | * | trans | -92.2 | 150.1 | 153 | -69.6 | -84.1 | 0 | 0 | 0 | 108.1 | ||||
| 814 | Q | 31.4 | Very low | 34.1 | Very low | 155 Ų | 155 | 123.7 Ų | 123.7 | 72% | 0.724 | 57% | 0.571 | S | S | * | * | trans | -135.2 | 112.3 | -172.6 | -175.9 | 171.7 | -13.5 | 0 | 0 | 108.3 | H732 | H732-Q814 PolarHBondContact NE2-NE2 2.9Š| ||
| 815 | Y | 36.4 | Very low | 35 | Very low | 123 Ų | 123 | 115.8 Ų | 115.8 | 48% | 0.482 | 53% | 0.532 | S | S | . | . | trans | -82.4 | 142.8 | -171.5 | -54.3 | -94.1 | 0 | 0 | 0 | 111.6 | ||||
| 816 | S | 34.7 | Very low | 36.1 | Very low | 70 Ų | 70 | 106 Ų | 106 | 49% | 0.49 | 50% | 0.497 | S | S | . | . | trans | -92.3 | 151.7 | 167.2 | 46.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 817 | L | 38.1 | Very low | 36.9 | Very low | 41 Ų | 41 | 98.6 Ų | 98.6 | 22% | 0.215 | 46% | 0.46 | C | S | . | . | B | Isolated β-bridge | trans | -112.2 | 155.1 | 167.9 | -78.7 | 104 | 0 | 0 | 0 | 110.7 | L733 L751 W821 V822 | L733-L817 HydrophobicContact CD1-CD1 4.49Å; L733-L817 HydrophobicContact CD1-CD2 4.26Å; L751-L817 HydrophobicContact CD2-CD2 3.92Å; L817-W821 HydrophobicContact CD2-CB 3.99Å; L817-V822 HydrophobicContact CB-CG2 3.71Å |
| 818 | D | 38.8 | Very low | 38 | Very low | 51 Ų | 51 | 88.6 Ų | 88.6 | 27% | 0.273 | 43% | 0.426 | S | S | . | . | trans | -51.6 | 129.1 | 162.6 | 170.3 | 2.9 | 0 | 0 | 0 | 108.2 | C820 W821 V822 K857 | D818-C820 PolarHBondContact O-N 3.15Å; D818-C820 WeakPolarHBondContact OD1-CB 3.48Å; D818-C820 PolarHBondContact OD1-N 3.33Å; D818-C820 PolarHBondContact OD1-SG 2.77Å; D818-W821 HydrophobicContact CB-CB 4.19Å; D818-W821 HydrophobicContact CB-CG 4.37Å; D818-W821 PolarHBondContact O-N 3.43Å; D818-V822 PolarHBondContact O-N 3.25Å; D818-K857 IonicContact OD2-NZ 3.16Å; D818-K857 PolarHBondContact OD2-NZ 3.41Å | ||
| 819 | P | 38 | Very low | 39.4 | Very low | 55 Ų | 55 | 79.1 Ų | 79.1 | 36% | 0.357 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -41.7 | -37.9 | 171.1 | -26.8 | 26.6 | 0 | 0 | 0 | 114.8 | I731 L823 | I731-P819 HydrophobicContact CB-CB 4.23Å; I731-P819 HydrophobicContact CB-CG 4.1Å; I731-P819 HydrophobicContact CD1-CB 4.02Å; I731-P819 HydrophobicContact CD1-CG 3.87Å; I731-P819 HydrophobicContact CG1-CB 4.24Å; I731-P819 HydrophobicContact CG1-CG 3.81Å; I731-P819 HydrophobicContact CG2-CB 4.01Å; I731-P819 HydrophobicContact CG2-CG 4.42Å; P819-L823 WeakPolarHBondContact O-CG 3.38Å; P819-L823 PolarHBondContact O-N 2.74Å; P819-L823 VanDerWaalsContact O-N 3.07Å |
| 820 | C | 39.5 | Very low | 40.2 | Very low | 36 Ų | 36 | 77.3 Ų | 77.3 | 24% | 0.243 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -79.2 | -30 | -178.9 | -51.1 | 0 | 0 | 0 | 0 | 113.8 | D818 V822 L823 L824 K857 | D818-C820 PolarHBondContact O-N 3.15Å; D818-C820 WeakPolarHBondContact OD1-CB 3.48Å; D818-C820 PolarHBondContact OD1-N 3.33Å; D818-C820 PolarHBondContact OD1-SG 2.77Å; C820-V822 VanDerWaalsContact C-N 3.27Å; C820-L823 PolarHBondContact O-N 3.16Å; C820-L824 WeakPolarHBondContact O-CB 3.47Å; C820-L824 PolarHBondContact O-N 2.86Å; C820-K857 HydrophobicContact CB-CD 3.82Å; C820-K857 PolarHBondContact SG-NZ 2.7Å |
| 821 | W | 46 | Very low | 41.1 | Very low | 68 Ų | 68 | 71.7 Ų | 71.7 | 26% | 0.258 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.9 | -37.9 | 171.4 | -93.9 | 126.4 | 0 | 0 | 0 | 110.4 | L817 D818 L824 A825 L840 P851 V852 | L817-W821 HydrophobicContact CD2-CB 3.99Å; D818-W821 HydrophobicContact CB-CB 4.19Å; D818-W821 HydrophobicContact CB-CG 4.37Å; D818-W821 PolarHBondContact O-N 3.43Å; W821-L824 HydrophobicContact CE3-CD2 3.84Å; W821-L824 HydrophobicContact CZ3-CD2 3.62Å; W821-L824 PolarHBondContact O-N 2.96Å; W821-A825 WeakPolarHBondContact O-CB 3.3Å; W821-A825 PolarHBondContact O-N 3.09Å; W821-L840 HydrophobicContact CH2-CD2 4.38Å; W821-L840 HydrophobicContact CZ3-CD2 4.37Å; W821-P851 HydrophobicContact CH2-CG 3.94Å; W821-P851 HydrophobicContact CZ3-CG 4.09Å; W821-V852 HydrophobicContact CD2-CG2 4.37Å; W821-V852 VanDerWaalsContact CE2-CG2 3.42Å; W821-V852 HydrophobicContact CH2-CG2 4.46Å; W821-V852 HydrophobicContact CZ2-CG2 3.47Å; W821-V852 VanDerWaalsContact CZ2-CG2 3.47Å; W821-V852 VanDerWaalsContact NE1-CG2 3.32Å |
| 822 | V | 48 | Very low | 41.9 | Very low | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -70.5 | -44.3 | 174.7 | -175.7 | 0 | 0 | 0 | 0 | 112.1 | Y709 I731 L733 L817 D818 C820 L824 A825 N826 | Y709-V822 WeakPolarHBondContact OH-CB 3.26Å; Y709-V822 WeakPolarHBondContact OH-CG1 3.11Å; Y709-V822 WeakPolarHBondContact OH-CG2 3.18Å; I731-V822 HydrophobicContact CG2-CG2 4.49Å; I731-V822 WeakPolarHBondContact O-CG2 3.39Å; L733-V822 HydrophobicContact CB-CG1 4.36Å; L733-V822 HydrophobicContact CD2-CG1 3.71Å; L733-V822 HydrophobicContact CG-CB 4.23Å; L733-V822 HydrophobicContact CG-CG1 3.66Å; L733-V822 HydrophobicContact CG-CG2 4.04Å; L817-V822 HydrophobicContact CB-CG2 3.71Å; D818-V822 PolarHBondContact O-N 3.25Å; C820-V822 VanDerWaalsContact C-N 3.27Å; V822-L824 PolarHBondContact O-N 2.99Å; V822-A825 PolarHBondContact O-N 2.96Å; V822-N826 VanDerWaalsContact O-CB 3.26Å; V822-N826 WeakPolarHBondContact O-CB 3.36Å; V822-N826 PolarHBondContact O-N 3.04Å |
| 823 | L | 43.9 | Very low | 42.9 | Very low | 89 Ų | 89 | 58.6 Ų | 58.6 | 47% | 0.466 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -56.4 | -39.7 | 174.3 | -76.5 | 165.3 | 0 | 0 | 0 | 111.8 | P819 C820 C827 | P819-L823 WeakPolarHBondContact O-CG 3.38Å; P819-L823 PolarHBondContact O-N 2.74Å; P819-L823 VanDerWaalsContact O-N 3.07Å; C820-L823 PolarHBondContact O-N 3.16Å; L823-C827 WeakPolarHBondContact O-CB 3.13Å; L823-C827 PolarHBondContact O-N 2.92Å; L823-C827 PolarHBondContact O-SG 3.46Å |
| 824 | L | 47.3 | Very low | 43.9 | Very low | 26 Ų | 26 | 53.4 Ų | 53.4 | 14% | 0.136 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65.8 | -52 | 175.8 | -165 | 89.5 | 0 | 0 | 0 | 112 | C820 W821 V822 C827 C828 P851 | C820-L824 WeakPolarHBondContact O-CB 3.47Å; C820-L824 PolarHBondContact O-N 2.86Å; W821-L824 HydrophobicContact CE3-CD2 3.84Å; W821-L824 HydrophobicContact CZ3-CD2 3.62Å; W821-L824 PolarHBondContact O-N 2.96Å; V822-L824 PolarHBondContact O-N 2.99Å; L824-C827 PolarHBondContact O-N 2.59Å; L824-C828 PolarHBondContact O-N 3.11Å; L824-C828 PolarHBondContact O-SG 3.1Å; L824-P851 HydrophobicContact CD1-CB 3.84Å; L824-P851 HydrophobicContact CD2-CB 3.7Å; L824-P851 HydrophobicContact CD2-CG 3.63Å; L824-P851 HydrophobicContact CG-CB 4.42Å |
| 825 | A | 49.2 | Very low | 44.5 | Very low | 9 Ų | 9 | 51 Ų | 51 | 7% | 0.074 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -69.6 | -34 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L733 W821 V822 C828 L829 L837 | L733-A825 HydrophobicContact CD1-CB 4.03Å; L733-A825 HydrophobicContact CD2-CB 3.73Å; L733-A825 HydrophobicContact CG-CB 4.46Å; W821-A825 WeakPolarHBondContact O-CB 3.3Å; W821-A825 PolarHBondContact O-N 3.09Å; V822-A825 PolarHBondContact O-N 2.96Å; A825-C828 PolarHBondContact O-N 2.82Å; A825-L829 WeakPolarHBondContact O-CG 3.31Å; A825-L829 PolarHBondContact O-N 3.46Å; A825-L837 HydrophobicContact CB-CD2 4.02Å |
| 826 | N | 47 | Very low | 44.9 | Very low | 26 Ų | 26 | 46.9 Ų | 46.9 | 14% | 0.139 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -58.8 | -54 | 166.3 | -82.8 | 0.9 | 0 | 0 | 0 | 110.4 | L733 T734 V822 C828 L829 E830 | L733-N826 VanDerWaalsContact CD2-OD1 3.27Å; L733-N826 WeakPolarHBondContact CD2-OD1 3.36Å; T734-N826 VanDerWaalsContact OG1-CG 3.32Å; T734-N826 PolarHBondContact OG1-ND2 3.2Å; T734-N826 PolarHBondContact OG1-OD1 3.32Å; T734-N826 VanDerWaalsContact OG1-OD1 3.08Å; V822-N826 VanDerWaalsContact O-CB 3.26Å; V822-N826 WeakPolarHBondContact O-CB 3.36Å; V822-N826 PolarHBondContact O-N 3.04Å; N826-C828 PolarHBondContact O-N 2.96Å; N826-C828 VanDerWaalsContact O-N 3.1Å; N826-L829 PolarHBondContact O-N 2.84Å; N826-E830 WeakPolarHBondContact O-CB 3.31Å; N826-E830 PolarHBondContact O-N 3.26Å |
| 827 | C | 46 | Very low | 45.5 | Very low | 17 Ų | 17 | 44.2 Ų | 44.2 | 12% | 0.115 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58.4 | -26.7 | 178.4 | -72.7 | 0 | 0 | 0 | 0 | 113.6 | L823 L824 | L823-C827 WeakPolarHBondContact O-CB 3.13Å; L823-C827 PolarHBondContact O-N 2.92Å; L823-C827 PolarHBondContact O-SG 3.46Å; L824-C827 PolarHBondContact O-N 2.59Å |
| 828 | C | 47.6 | Very low | 45.7 | Very low | 23 Ų | 23 | 47 Ų | 47 | 16% | 0.155 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -79.9 | -34.8 | 173.6 | -70.9 | 0 | 0 | 0 | 0 | 113.1 | L824 A825 N826 C833 L837 | L824-C828 PolarHBondContact O-N 3.11Å; L824-C828 PolarHBondContact O-SG 3.1Å; A825-C828 PolarHBondContact O-N 2.82Å; N826-C828 PolarHBondContact O-N 2.96Å; N826-C828 VanDerWaalsContact O-N 3.1Å; C828-C833 CarbonylContact O-C 3.3Å; C828-C833 WeakPolarHBondContact O-CA 3.45Å; C828-C833 VanDerWaalsContact O-CB 3.31Å; C828-C833 WeakPolarHBondContact O-CB 3.47Å; C828-C833 PolarHBondContact O-N 3.12Å; C828-L837 HydrophobicContact CB-CD1 3.63Å; C828-L837 HydrophobicContact CB-CD2 4.47Å; C828-L837 HydrophobicContact CB-CG 3.75Å |
| 829 | L | 54.9 | Low | 45.8 | Very low | 13 Ų | 13 | 48 Ų | 48 | 7% | 0.068 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -69.8 | -47.2 | 173.4 | -73.2 | 165.1 | 0 | 0 | 0 | 111.5 | L733 Y739 L747 A825 N826 H831 G832 I834 L837 | L733-L829 HydrophobicContact CD2-CD1 4.41Å; Y739-L829 HydrophobicContact CE1-CD2 3.84Å; L747-L829 HydrophobicContact CD1-CD1 4.34Å; L747-L829 HydrophobicContact CD1-CD2 3.79Å; L747-L829 HydrophobicContact CD1-CG 4.49Å; A825-L829 WeakPolarHBondContact O-CG 3.31Å; A825-L829 PolarHBondContact O-N 3.46Å; N826-L829 PolarHBondContact O-N 2.84Å; L829-H831 PolarHBondContact O-N 3.28Å; L829-H831 VanDerWaalsContact O-N 3.11Å; L829-G832 PolarHBondContact O-N 2.76Å; L829-I834 HydrophobicContact CD2-CD1 3.61Å; L829-L837 HydrophobicContact CD2-CD1 3.99Å; L829-L837 HydrophobicContact CG-CD1 3.76Å |
| 830 | E | 45.5 | Very low | 45.8 | Very low | 88 Ų | 88 | 46.4 Ų | 46.4 | 41% | 0.411 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -10.3 | 179.1 | -173.4 | -173.3 | -76 | 0 | 0 | 114 | N826 | N826-E830 WeakPolarHBondContact O-CB 3.31Å; N826-E830 PolarHBondContact O-N 3.26Å |
| 831 | H | 45.4 | Very low | 45.7 | Very low | 84 Ų | 84 | 47 Ų | 47 | 39% | 0.389 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.3 | 14.3 | 173.4 | -70.6 | 0.1 | 0 | 0 | 0 | 112.7 | L829 C833 R864 K869 | L829-H831 PolarHBondContact O-N 3.28Å; L829-H831 VanDerWaalsContact O-N 3.11Å; H831-C833 PolarHBondContact O-N 3Å; H831-C833 VanDerWaalsContact O-N 3.11Å; H831-C833 PolarHBondContact O-SG 3.03Å; H831-R864 PolarHBondContact NE2-NH2 3.26Å; H831-K869 PolarHBondContact NE2-NZ 3.24Å |
| 832 | G | 45 | Very low | 45.3 | Very low | 60 Ų | 60 | 49.9 Ų | 49.9 | 62% | 0.619 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.7 | 6.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | L829 I834 | L829-G832 PolarHBondContact O-N 2.76Å; G832-I834 PolarHBondContact O-N 3.39Å |
| 833 | C | 47.8 | Very low | 44.6 | Very low | 51 Ų | 51 | 53.6 Ų | 53.6 | 35% | 0.345 | 30% | 0.297 | S | S | . | . | trans | -78.4 | 41.9 | -174.2 | -70.5 | 0 | 0 | 0 | 0 | 112.6 | C828 H831 N835 V836 L837 | C828-C833 CarbonylContact O-C 3.3Å; C828-C833 WeakPolarHBondContact O-CA 3.45Å; C828-C833 VanDerWaalsContact O-CB 3.31Å; C828-C833 WeakPolarHBondContact O-CB 3.47Å; C828-C833 PolarHBondContact O-N 3.12Å; H831-C833 PolarHBondContact O-N 3Å; H831-C833 VanDerWaalsContact O-N 3.11Å; H831-C833 PolarHBondContact O-SG 3.03Å; C833-N835 PolarHBondContact O-N 3.09Å; C833-V836 HydrophobicContact CB-CB 3.98Å; C833-V836 HydrophobicContact CB-CG2 3.77Å; C833-V836 WeakPolarHBondContact O-CA 3.19Å; C833-V836 WeakPolarHBondContact O-CB 3.29Å; C833-V836 PolarHBondContact O-N 3Å; C833-L837 PolarHBondContact O-N 3.15Å; C833-L837 VanDerWaalsContact O-N 3.15Å | ||
| 834 | I | 50.3 | Low | 44.1 | Very low | 36 Ų | 36 | 52.7 Ų | 52.7 | 19% | 0.185 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -58.3 | -32 | 178.7 | -162.5 | 72.1 | 0 | 0 | 0 | 111.9 | Y739 M743 L747 L829 G832 V836 L837 K838 | Y739-I834 HydrophobicContact CE1-CD1 4.44Å; M743-I834 HydrophobicContact SD-CD1 4.24Å; M743-I834 HydrophobicContact SD-CG1 3.94Å; L747-I834 HydrophobicContact CD1-CD1 3.96Å; L829-I834 HydrophobicContact CD2-CD1 3.61Å; G832-I834 PolarHBondContact O-N 3.39Å; I834-V836 VanDerWaalsContact C-N 3.33Å; I834-L837 PolarHBondContact O-N 2.84Å; I834-K838 WeakPolarHBondContact O-CG 3.39Å; I834-K838 PolarHBondContact O-N 2.76Å |
| 835 | N | 45 | Very low | 43.4 | Very low | 106 Ų | 106 | 53.2 Ų | 53.2 | 57% | 0.567 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -75.6 | -18.1 | 174.7 | -73.2 | -6.9 | 0 | 0 | 0 | 113.4 | C833 N839 | C833-N835 PolarHBondContact O-N 3.09Å; N835-N839 VanDerWaalsContact O-CB 3.31Å; N835-N839 WeakPolarHBondContact O-CB 3.25Å; N835-N839 PolarHBondContact O-N 3.32Å; N835-N839 PolarHBondContact O-ND2 3.06Å |
| 836 | V | 45.7 | Very low | 42.8 | Very low | 35 Ų | 35 | 57.4 Ų | 57.4 | 21% | 0.212 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -79.5 | -32.5 | 169.2 | -175.1 | 0 | 0 | 0 | 0 | 110.2 | C833 I834 N839 L840 F880 | C833-V836 HydrophobicContact CB-CB 3.98Å; C833-V836 HydrophobicContact CB-CG2 3.77Å; C833-V836 WeakPolarHBondContact O-CA 3.19Å; C833-V836 WeakPolarHBondContact O-CB 3.29Å; C833-V836 PolarHBondContact O-N 3Å; I834-V836 VanDerWaalsContact C-N 3.33Å; V836-N839 CarbonylContact O-C 3.17Å; V836-L840 WeakPolarHBondContact O-CB 3.32Å; V836-L840 PolarHBondContact O-N 3.3Å; V836-F880 HydrophobicContact CG1-CD1 3.85Å; V836-F880 HydrophobicContact CG1-CE1 3.53Å; V836-F880 HydrophobicContact CG1-CZ 4.19Å |
| 837 | L | 45.8 | Very low | 42.4 | Very low | 15 Ų | 15 | 57.8 Ų | 57.8 | 8% | 0.079 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -68.9 | -40.8 | 168.5 | -85.7 | 160.6 | 0 | 0 | 0 | 112.5 | L747 A825 C828 L829 C833 I834 N839 L840 | L747-L837 HydrophobicContact CD1-CD1 4.5Å; A825-L837 HydrophobicContact CB-CD2 4.02Å; C828-L837 HydrophobicContact CB-CD1 3.63Å; C828-L837 HydrophobicContact CB-CD2 4.47Å; C828-L837 HydrophobicContact CB-CG 3.75Å; L829-L837 HydrophobicContact CD2-CD1 3.99Å; L829-L837 HydrophobicContact CG-CD1 3.76Å; C833-L837 PolarHBondContact O-N 3.15Å; C833-L837 VanDerWaalsContact O-N 3.15Å; I834-L837 PolarHBondContact O-N 2.84Å; L837-N839 VanDerWaalsContact C-N 3.31Å; L837-N839 PolarHBondContact O-N 2.82Å; L837-L840 HydrophobicContact CD2-CD1 3.94Å; L837-L840 WeakPolarHBondContact O-CB 3.41Å; L837-L840 PolarHBondContact O-N 3.34Å |
| 838 | K | 42.8 | Very low | 41.9 | Very low | 100 Ų | 100 | 60.8 Ų | 60.8 | 44% | 0.435 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -69.9 | -23.1 | 174 | -70.5 | 179.1 | 177.5 | -178.1 | 0 | 114.2 | L750 I834 | L750-K838 HydrophobicContact CD1-CG 4.38Å; I834-K838 WeakPolarHBondContact O-CG 3.39Å; I834-K838 PolarHBondContact O-N 2.76Å |
| 839 | N | 40.9 | Very low | 41.4 | Very low | 71 Ų | 71 | 65.8 Ų | 65.8 | 38% | 0.38 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | 7.2 | 172.4 | -74.1 | -69.4 | 0 | 0 | 0 | 113 | N835 V836 L837 D841 N842 L843 | N835-N839 VanDerWaalsContact O-CB 3.31Å; N835-N839 WeakPolarHBondContact O-CB 3.25Å; N835-N839 PolarHBondContact O-N 3.32Å; N835-N839 PolarHBondContact O-ND2 3.06Å; V836-N839 CarbonylContact O-C 3.17Å; L837-N839 VanDerWaalsContact C-N 3.31Å; L837-N839 PolarHBondContact O-N 2.82Å; N839-D841 PolarHBondContact O-N 2.82Å; N839-N842 WeakPolarHBondContact O-CA 3.36Å; N839-N842 WeakPolarHBondContact O-CB 3.35Å; N839-N842 PolarHBondContact O-N 2.78Å; N839-N842 VanDerWaalsContact O-N 3.08Å; N839-N842 PolarHBondContact OD1-ND2 2.84Å; N839-L843 PolarHBondContact O-N 3.01Å; N839-L843 VanDerWaalsContact O-N 3.09Å |
| 840 | L | 38.7 | Very low | 40.7 | Very low | 21 Ų | 21 | 67 Ų | 67 | 11% | 0.11 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -27 | 175.3 | -123.1 | 164.3 | 0 | 0 | 0 | 110.9 | W821 V836 L837 N842 L843 S844 | W821-L840 HydrophobicContact CH2-CD2 4.38Å; W821-L840 HydrophobicContact CZ3-CD2 4.37Å; V836-L840 WeakPolarHBondContact O-CB 3.32Å; V836-L840 PolarHBondContact O-N 3.3Å; L837-L840 HydrophobicContact CD2-CD1 3.94Å; L837-L840 WeakPolarHBondContact O-CB 3.41Å; L837-L840 PolarHBondContact O-N 3.34Å; L840-N842 VanDerWaalsContact C-N 3.32Å; L840-L843 CarbonylContact O-C 3.57Å; L840-L843 WeakPolarHBondContact O-CA 3.48Å; L840-L843 PolarHBondContact O-N 3.05Å; L840-L843 VanDerWaalsContact O-N 3.09Å; L840-S844 PolarHBondContact O-N 3.32Å |
| 841 | D | 36.6 | Very low | 40.2 | Very low | 48 Ų | 48 | 64.3 Ų | 64.3 | 26% | 0.257 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -38.9 | 168.7 | -55.1 | -21.6 | 0 | 0 | 0 | 111 | N839 L843 S844 | N839-D841 PolarHBondContact O-N 2.82Å; D841-L843 VanDerWaalsContact C-N 3.29Å; D841-L843 PolarHBondContact O-N 2.96Å; D841-S844 VanDerWaalsContact O-CB 3.29Å; D841-S844 WeakPolarHBondContact O-CB 3.24Å; D841-S844 PolarHBondContact O-N 3.06Å; D841-S844 PolarHBondContact O-OG 3.3Å |
| 842 | N | 37.4 | Very low | 39.8 | Very low | 130 Ų | 130 | 63 Ų | 63 | 70% | 0.695 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -18.2 | 173.5 | -69.1 | -40.3 | 0 | 0 | 0 | 113.4 | N839 L840 S844 | N839-N842 WeakPolarHBondContact O-CA 3.36Å; N839-N842 WeakPolarHBondContact O-CB 3.35Å; N839-N842 PolarHBondContact O-N 2.78Å; N839-N842 VanDerWaalsContact O-N 3.08Å; N839-N842 PolarHBondContact OD1-ND2 2.84Å; L840-N842 VanDerWaalsContact C-N 3.32Å; N842-S844 VanDerWaalsContact C-N 3.34Å |
| 843 | L | 32.9 | Very low | 39.7 | Very low | 78 Ų | 78 | 62.1 Ų | 62.1 | 41% | 0.408 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | 16.6 | 166.7 | -76.7 | 163.2 | 0 | 0 | 0 | 112.1 | N839 L840 D841 P845 F880 | N839-L843 PolarHBondContact O-N 3.01Å; N839-L843 VanDerWaalsContact O-N 3.09Å; L840-L843 CarbonylContact O-C 3.57Å; L840-L843 WeakPolarHBondContact O-CA 3.48Å; L840-L843 PolarHBondContact O-N 3.05Å; L840-L843 VanDerWaalsContact O-N 3.09Å; D841-L843 VanDerWaalsContact C-N 3.29Å; D841-L843 PolarHBondContact O-N 2.96Å; L843-P845 WeakPolarHBondContact O-CD 3.45Å; L843-F880 HydrophobicContact CD1-CD1 3.9Å; L843-F880 HydrophobicContact CD1-CE1 3.34Å; L843-F880 HydrophobicContact CD1-CZ 4.3Å |
| 844 | S | 33.8 | Very low | 39.4 | Very low | 70 Ų | 70 | 64.3 Ų | 64.3 | 49% | 0.49 | 36% | 0.364 | S | S | . | . | trans | -98.3 | 87.6 | 172.3 | 83.4 | 0 | 0 | 0 | 0 | 111.9 | L840 D841 N842 | L840-S844 PolarHBondContact O-N 3.32Å; D841-S844 VanDerWaalsContact O-CB 3.29Å; D841-S844 WeakPolarHBondContact O-CB 3.24Å; D841-S844 PolarHBondContact O-N 3.06Å; D841-S844 PolarHBondContact O-OG 3.3Å; N842-S844 VanDerWaalsContact C-N 3.34Å | ||
| 845 | P | 32.9 | Very low | 38.8 | Very low | 37 Ų | 37 | 67.9 Ų | 67.9 | 24% | 0.24 | 38% | 0.383 | C | S | . | . | trans | -110 | 146.9 | 141 | 32.7 | -25.9 | 0 | 0 | 0 | 110 | L843 G847 Q917 | L843-P845 WeakPolarHBondContact O-CD 3.45Å; P845-G847 PolarHBondContact O-N 2.94Å; P845-Q917 HydrophobicContact CB-CB 4.24Å; P845-Q917 HydrophobicContact CB-CG 3.6Å; P845-Q917 HydrophobicContact CG-CG 4.46Å | ||
| 846 | P | 37.8 | Very low | 38.7 | Very low | 97 Ų | 97 | 66.5 Ų | 66.5 | 63% | 0.63 | 37% | 0.372 | S | S | * | . | trans | -74.6 | 67.6 | 178.7 | 31.3 | -35.4 | 0 | 0 | 0 | 111.9 | A920 | P846-A920 HydrophobicContact CG-CB 4.24Š| ||
| 847 | G | 37.3 | Very low | 38.5 | Very low | 34 Ų | 34 | 66 Ų | 66 | 35% | 0.351 | 37% | 0.368 | S | S | . | . | trans | -104.9 | 162.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | P845 D849 S850 | P845-G847 PolarHBondContact O-N 2.94Å; G847-D849 VanDerWaalsContact C-N 3.29Å; G847-D849 PolarHBondContact O-N 2.86Å; G847-S850 WeakPolarHBondContact O-CB 3.4Å; G847-S850 PolarHBondContact O-N 3.37Å | ||
| 848 | Q | 36.2 | Very low | 38.3 | Very low | 80 Ų | 80 | 72.2 Ų | 72.2 | 37% | 0.374 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -6.4 | -176 | -144.3 | -174.6 | 41 | 0 | 0 | 114.5 | N853 K966 | Q848-N853 WeakPolarHBondContact O-CB 3.13Å; Q848-N853 PolarHBondContact O-ND2 3.01Å; Q848-K966 HydrophobicContact CB-CD 3.94Å; Q848-K966 VanDerWaalsContact CD-CD 3.4Å; Q848-K966 HydrophobicContact CG-CD 4.2Å |
| 849 | D | 36.4 | Very low | 38.2 | Very low | 127 Ų | 127 | 70.5 Ų | 70.5 | 68% | 0.679 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84 | 3.4 | 169.4 | -51.8 | -71.1 | 0 | 0 | 0 | 112.3 | G847 | G847-D849 VanDerWaalsContact C-N 3.29Å; G847-D849 PolarHBondContact O-N 2.86Å |
| 850 | S | 39.8 | Very low | 38.3 | Very low | 40 Ų | 40 | 69.8 Ų | 69.8 | 28% | 0.28 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -56.2 | 141.5 | 168.4 | 178.5 | 0 | 0 | 0 | 0 | 111.2 | G847 V852 N853 | G847-S850 WeakPolarHBondContact O-CB 3.4Å; G847-S850 PolarHBondContact O-N 3.37Å; S850-V852 PolarHBondContact O-N 3.43Å; S850-N853 PolarHBondContact O-N 2.96Å |
| 851 | P | 35.1 | Very low | 38.6 | Very low | 31 Ų | 31 | 73.3 Ų | 73.3 | 20% | 0.201 | 40% | 0.401 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -4.1 | -177.2 | 23.5 | -35 | 0 | 0 | 0 | 115.4 | W821 L824 N853 F856 K857 | W821-P851 HydrophobicContact CH2-CG 3.94Å; W821-P851 HydrophobicContact CZ3-CG 4.09Å; L824-P851 HydrophobicContact CD1-CB 3.84Å; L824-P851 HydrophobicContact CD2-CB 3.7Å; L824-P851 HydrophobicContact CD2-CG 3.63Å; L824-P851 HydrophobicContact CG-CB 4.42Å; P851-N853 VanDerWaalsContact C-N 3.34Å; P851-F856 HydrophobicContact CB-CD1 4.47Å; P851-F856 HydrophobicContact CB-CE1 4.27Å; P851-K857 WeakPolarHBondContact O-CE 3.21Å |
| 852 | V | 38.9 | Very low | 38.9 | Very low | 56 Ų | 56 | 77.9 Ų | 77.9 | 34% | 0.339 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -21.2 | 173.4 | -165.7 | 0 | 0 | 0 | 0 | 112.7 | W821 S850 L854 K857 | W821-V852 HydrophobicContact CD2-CG2 4.37Å; W821-V852 VanDerWaalsContact CE2-CG2 3.42Å; W821-V852 HydrophobicContact CH2-CG2 4.46Å; W821-V852 HydrophobicContact CZ2-CG2 3.47Å; W821-V852 VanDerWaalsContact CZ2-CG2 3.47Å; W821-V852 VanDerWaalsContact NE1-CG2 3.32Å; S850-V852 PolarHBondContact O-N 3.43Å; V852-L854 PolarHBondContact O-N 2.81Å; V852-K857 VanDerWaalsContact CA-CE 3.48Å; V852-K857 WeakPolarHBondContact O-CE 3.12Å; V852-K857 PolarHBondContact O-NZ 2.88Å |
| 853 | N | 41.9 | Very low | 39.1 | Very low | 42 Ų | 42 | 74.5 Ų | 74.5 | 23% | 0.225 | 40% | 0.397 | C | S | . | . | trans | -63.5 | 125.4 | -177.1 | -178.8 | -19.2 | 0 | 0 | 0 | 112.2 | Q848 S850 P851 N855 F856 K857 | Q848-N853 WeakPolarHBondContact O-CB 3.13Å; Q848-N853 PolarHBondContact O-ND2 3.01Å; S850-N853 PolarHBondContact O-N 2.96Å; P851-N853 VanDerWaalsContact C-N 3.34Å; N853-N855 VanDerWaalsContact C-N 3.31Å; N853-N855 PolarHBondContact O-N 3Å; N853-N855 PolarHBondContact OD1-N 2.86Å; N853-F856 HydrophobicContact CB-CB 3.97Å; N853-F856 WeakPolarHBondContact O-CB 3.35Å; N853-F856 PolarHBondContact O-N 3.06Å; N853-F856 VanDerWaalsContact O-N 3.13Å; N853-K857 WeakPolarHBondContact O-CG 3.37Å; N853-K857 PolarHBondContact O-N 3.11Å | ||
| 854 | L | 40.4 | Very low | 39.6 | Very low | 96 Ų | 96 | 74.4 Ų | 74.4 | 50% | 0.503 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.3 | -34.7 | -177.3 | -143.9 | 75.1 | 0 | 0 | 0 | 112.9 | V852 K857 Y858 | V852-L854 PolarHBondContact O-N 2.81Å; L854-K857 HydrophobicContact CD1-CD 4.24Å; L854-K857 PolarHBondContact O-N 3.08Å; L854-Y858 HydrophobicContact CB-CE2 4.49Å; L854-Y858 HydrophobicContact CD2-CE2 3.79Å; L854-Y858 HydrophobicContact CG-CD2 4.41Å; L854-Y858 HydrophobicContact CG-CE2 3.82Å; L854-Y858 WeakPolarHBondContact O-CD2 3.47Å; L854-Y858 PolarHBondContact O-N 2.97Å |
| 855 | N | 38.5 | Very low | 39.9 | Very low | 111 Ų | 111 | 75.2 Ų | 75.2 | 59% | 0.594 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -74 | -32.4 | 176.1 | -71.9 | -15.4 | 0 | 0 | 0 | 112.3 | N853 S859 | N853-N855 VanDerWaalsContact C-N 3.31Å; N853-N855 PolarHBondContact O-N 3Å; N853-N855 PolarHBondContact OD1-N 2.86Å; N855-S859 WeakPolarHBondContact O-CB 2.97Å; N855-S859 PolarHBondContact O-N 3.45Å; N855-S859 PolarHBondContact O-OG 2.93Å |
| 856 | F | 43.3 | Very low | 40.2 | Very low | 78 Ų | 78 | 75.7 Ų | 75.7 | 34% | 0.342 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64.5 | -47.8 | 167.5 | -179.3 | -93.5 | 0 | 0 | 0 | 110 | P851 N853 Y858 S859 W860 | P851-F856 HydrophobicContact CB-CD1 4.47Å; P851-F856 HydrophobicContact CB-CE1 4.27Å; N853-F856 HydrophobicContact CB-CB 3.97Å; N853-F856 WeakPolarHBondContact O-CB 3.35Å; N853-F856 PolarHBondContact O-N 3.06Å; N853-F856 VanDerWaalsContact O-N 3.13Å; F856-Y858 PolarHBondContact O-N 2.92Å; F856-S859 CarbonylContact O-C 3.58Å; F856-S859 PolarHBondContact O-N 2.83Å; F856-W860 HydrophobicContact CD1-CB 4.33Å; F856-W860 HydrophobicContact CE1-CB 4.1Å; F856-W860 HydrophobicContact CE1-CG 4.17Å; F856-W860 HydrophobicContact CZ-CB 4.49Å; F856-W860 WeakPolarHBondContact O-CB 3.43Å; F856-W860 PolarHBondContact O-N 3.25Å |
| 857 | K | 41.1 | Very low | 40.4 | Very low | 25 Ų | 25 | 76.3 Ų | 76.3 | 11% | 0.109 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -56.5 | -45.3 | 176.5 | -68.2 | 165.5 | -178.1 | 173.6 | 0 | 111.8 | D818 C820 P851 V852 N853 L854 W860 I861 | D818-K857 IonicContact OD2-NZ 3.16Å; D818-K857 PolarHBondContact OD2-NZ 3.41Å; C820-K857 HydrophobicContact CB-CD 3.82Å; C820-K857 PolarHBondContact SG-NZ 2.7Å; P851-K857 WeakPolarHBondContact O-CE 3.21Å; V852-K857 VanDerWaalsContact CA-CE 3.48Å; V852-K857 WeakPolarHBondContact O-CE 3.12Å; V852-K857 PolarHBondContact O-NZ 2.88Å; N853-K857 WeakPolarHBondContact O-CG 3.37Å; N853-K857 PolarHBondContact O-N 3.11Å; L854-K857 HydrophobicContact CD1-CD 4.24Å; L854-K857 PolarHBondContact O-N 3.08Å; K857-W860 PolarHBondContact O-N 2.98Å; K857-I861 WeakPolarHBondContact O-CB 3.38Å; K857-I861 WeakPolarHBondContact O-CG1 3.3Å; K857-I861 PolarHBondContact O-N 2.84Å |
| 858 | Y | 41 | Very low | 40.7 | Very low | 145 Ų | 145 | 77.9 Ų | 77.9 | 57% | 0.569 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -63.4 | -46.5 | 174.5 | -71.1 | -50.6 | 0 | 0 | 0 | 112.5 | L854 F856 W860 W862 | L854-Y858 HydrophobicContact CB-CE2 4.49Å; L854-Y858 HydrophobicContact CD2-CE2 3.79Å; L854-Y858 HydrophobicContact CG-CD2 4.41Å; L854-Y858 HydrophobicContact CG-CE2 3.82Å; L854-Y858 WeakPolarHBondContact O-CD2 3.47Å; L854-Y858 PolarHBondContact O-N 2.97Å; F856-Y858 PolarHBondContact O-N 2.92Å; Y858-W860 VanDerWaalsContact C-N 3.31Å; Y858-W860 PolarHBondContact O-N 3.04Å; Y858-W862 WeakPolarHBondContact O-CB 3.28Å; Y858-W862 PolarHBondContact O-N 2.9Å |
| 859 | S | 41.3 | Very low | 41 | Very low | 64 Ų | 64 | 77.5 Ų | 77.5 | 45% | 0.448 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -64.3 | -36.1 | 177.8 | -57.2 | 0 | 0 | 0 | 0 | 112.2 | N855 F856 L863 | N855-S859 WeakPolarHBondContact O-CB 2.97Å; N855-S859 PolarHBondContact O-N 3.45Å; N855-S859 PolarHBondContact O-OG 2.93Å; F856-S859 CarbonylContact O-C 3.58Å; F856-S859 PolarHBondContact O-N 2.83Å; S859-L863 VanDerWaalsContact O-CB 3.29Å; S859-L863 WeakPolarHBondContact O-CB 3.27Å; S859-L863 WeakPolarHBondContact O-CG 3.24Å; S859-L863 PolarHBondContact O-N 3.33Å |
| 860 | W | 43.7 | Very low | 41.4 | Very low | 55 Ų | 55 | 75.2 Ų | 75.2 | 21% | 0.208 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -71.5 | -47.1 | 179.1 | 179.4 | 88.2 | 0 | 0 | 0 | 111.6 | F856 K857 Y858 W862 L863 R864 F872 | F856-W860 HydrophobicContact CD1-CB 4.33Å; F856-W860 HydrophobicContact CE1-CB 4.1Å; F856-W860 HydrophobicContact CE1-CG 4.17Å; F856-W860 HydrophobicContact CZ-CB 4.49Å; F856-W860 WeakPolarHBondContact O-CB 3.43Å; F856-W860 PolarHBondContact O-N 3.25Å; K857-W860 PolarHBondContact O-N 2.98Å; Y858-W860 VanDerWaalsContact C-N 3.31Å; Y858-W860 PolarHBondContact O-N 3.04Å; W860-W862 VanDerWaalsContact C-N 3.31Å; W860-W862 PolarHBondContact O-N 2.83Å; W860-L863 PolarHBondContact O-N 3.38Å; W860-R864 PolarHBondContact O-N 2.89Å; W860-F872 AromaticContact CD1-CZ 3.97Å |
| 861 | I | 44.3 | Very low | 41.4 | Very low | 95 Ų | 95 | 81 Ų | 81 | 49% | 0.487 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -56.7 | -47.4 | 170.8 | -70.8 | 167.7 | 0 | 0 | 0 | 109.8 | K857 R864 F865 | K857-I861 WeakPolarHBondContact O-CB 3.38Å; K857-I861 WeakPolarHBondContact O-CG1 3.3Å; K857-I861 PolarHBondContact O-N 2.84Å; I861-R864 PolarHBondContact O-N 2.89Å; I861-F865 WeakPolarHBondContact O-CB 3.33Å; I861-F865 PolarHBondContact O-N 3.34Å |
| 862 | W | 43 | Very low | 41.8 | Very low | 144 Ų | 144 | 82.6 Ų | 82.6 | 55% | 0.545 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -64.6 | -41.9 | -179.4 | -170.4 | 85.1 | 0 | 0 | 0 | 112.5 | Y858 W860 F865 C866 | Y858-W862 WeakPolarHBondContact O-CB 3.28Å; Y858-W862 PolarHBondContact O-N 2.9Å; W860-W862 VanDerWaalsContact C-N 3.31Å; W860-W862 PolarHBondContact O-N 2.83Å; W862-F865 PolarHBondContact O-N 3.48Å; W862-C866 WeakPolarHBondContact O-CB 3.44Å; W862-C866 PolarHBondContact O-N 3.24Å; W862-C866 PolarHBondContact O-SG 2.81Å; W862-C866 VanDerWaalsContact O-SG 3.37Å |
| 863 | L | 42.5 | Very low | 42 | Very low | 60 Ų | 60 | 83.4 Ų | 83.4 | 31% | 0.314 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -67.9 | -34.9 | 175.2 | -74.8 | 169 | 0 | 0 | 0 | 113.1 | S859 W860 L868 | S859-L863 VanDerWaalsContact O-CB 3.29Å; S859-L863 WeakPolarHBondContact O-CB 3.27Å; S859-L863 WeakPolarHBondContact O-CG 3.24Å; S859-L863 PolarHBondContact O-N 3.33Å; W860-L863 PolarHBondContact O-N 3.38Å; L863-L868 HydrophobicContact CD2-CD1 4.02Å; L863-L868 PolarHBondContact O-N 3.43Å |
| 864 | R | 42.8 | Very low | 42 | Very low | 76 Ų | 76 | 87.5 Ų | 87.5 | 29% | 0.287 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -61.9 | -50.2 | 168.6 | -123.9 | -173.5 | -178.7 | -158.8 | 2.7 | 109.5 | H831 W860 I861 C866 R867 | H831-R864 PolarHBondContact NE2-NH2 3.26Å; W860-R864 PolarHBondContact O-N 2.89Å; I861-R864 PolarHBondContact O-N 2.89Å; R864-C866 VanDerWaalsContact C-N 3.35Å; R864-C866 PolarHBondContact O-N 3.35Å; R864-R867 PolarHBondContact O-N 3.26Å |
| 865 | F | 39.6 | Very low | 41.9 | Very low | 86 Ų | 86 | 89.6 Ų | 89.6 | 38% | 0.377 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -60.8 | -39.3 | -179.2 | -155.7 | -88.4 | 0 | 0 | 0 | 112.7 | L695 I861 W862 R867 | L695-F865 HydrophobicContact CD2-CD2 3.86Å; L695-F865 HydrophobicContact CD2-CE2 4.17Å; I861-F865 WeakPolarHBondContact O-CB 3.33Å; I861-F865 PolarHBondContact O-N 3.34Å; W862-F865 PolarHBondContact O-N 3.48Å; F865-R867 PolarHBondContact O-N 3.17Å; F865-R867 VanDerWaalsContact O-N 3.15Å |
| 866 | C | 40 | Very low | 41.8 | Very low | 47 Ų | 47 | 85.4 Ų | 85.4 | 32% | 0.318 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | 9.7 | 174.4 | -69.4 | 0 | 0 | 0 | 0 | 114.5 | W862 R864 L868 | W862-C866 WeakPolarHBondContact O-CB 3.44Å; W862-C866 PolarHBondContact O-N 3.24Å; W862-C866 PolarHBondContact O-SG 2.81Å; W862-C866 VanDerWaalsContact O-SG 3.37Å; R864-C866 VanDerWaalsContact C-N 3.35Å; R864-C866 PolarHBondContact O-N 3.35Å; C866-L868 HydrophobicContact CB-CG 4.45Å; C866-L868 PolarHBondContact O-N 3.43Å; C866-L868 VanDerWaalsContact O-N 3.12Å |
| 867 | R | 41.4 | Very low | 41.6 | Very low | 110 Ų | 110 | 84.2 Ų | 84.2 | 42% | 0.415 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.3 | 19.2 | 177.9 | -61.4 | 171.9 | 153.4 | 118.6 | -7.9 | 115.4 | E546 P693 R864 F865 K869 | E546-R867 IonicContact OE1-NH1 3.98Å; E546-R867 IonicContact OE2-NH1 3.83Å; P693-R867 PolarHBondContact O-NH1 3.42Å; P693-R867 PolarHBondContact O-NH2 3.42Å; R864-R867 PolarHBondContact O-N 3.26Å; F865-R867 PolarHBondContact O-N 3.17Å; F865-R867 VanDerWaalsContact O-N 3.15Å; R867-K869 PolarHBondContact O-N 2.97Å |
| 868 | L | 44 | Very low | 41.3 | Very low | 67 Ų | 67 | 88.1 Ų | 88.1 | 35% | 0.351 | 43% | 0.425 | S | S | . | . | trans | -81.5 | 22 | -175.4 | -72.3 | 179.3 | 0 | 0 | 0 | 114 | L863 C866 S870 R871 F872 | L863-L868 HydrophobicContact CD2-CD1 4.02Å; L863-L868 PolarHBondContact O-N 3.43Å; C866-L868 HydrophobicContact CB-CG 4.45Å; C866-L868 PolarHBondContact O-N 3.43Å; C866-L868 VanDerWaalsContact O-N 3.12Å; L868-S870 PolarHBondContact O-N 2.94Å; L868-R871 WeakPolarHBondContact O-CA 3.47Å; L868-R871 WeakPolarHBondContact O-CB 3.35Å; L868-R871 PolarHBondContact O-N 2.93Å; L868-F872 PolarHBondContact O-N 2.94Å | ||
| 869 | K | 43 | Very low | 41 | Very low | 72 Ų | 72 | 86.9 Ų | 86.9 | 31% | 0.313 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -44.3 | -57.1 | -177.6 | -154.9 | 164.9 | -172.9 | 170.8 | 0 | 111.3 | D696 H831 R867 R871 F872 D873 | D696-K869 IonicContact OD1-NZ 3.71Å; D696-K869 IonicContact OD2-NZ 3.56Å; D696-K869 PolarHBondContact OD2-NZ 2.78Å; H831-K869 PolarHBondContact NE2-NZ 3.24Å; R867-K869 PolarHBondContact O-N 2.97Å; K869-R871 PolarHBondContact O-N 2.88Å; K869-F872 CarbonylContact O-C 3.58Å; K869-F872 WeakPolarHBondContact O-CA 3.14Å; K869-F872 WeakPolarHBondContact O-CB 3.35Å; K869-F872 PolarHBondContact O-N 2.84Å; K869-D873 VanDerWaalsContact C-CG 3.5Å; K869-D873 WeakPolarHBondContact O-CB 3.19Å; K869-D873 PolarHBondContact O-N 2.95Å |
| 870 | S | 44.8 | Very low | 40.7 | Very low | 79 Ų | 79 | 88.2 Ų | 88.2 | 55% | 0.552 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -70 | -5.7 | -179.9 | 73.3 | 0 | 0 | 0 | 0 | 116.9 | L868 D873 | L868-S870 PolarHBondContact O-N 2.94Å; S870-D873 PolarHBondContact N-OD2 3.36Å |
| 871 | R | 39.6 | Very low | 40.3 | Very low | 161 Ų | 161 | 92.5 Ų | 92.5 | 61% | 0.608 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -92.1 | -41.7 | 165.4 | -92.2 | -164.8 | -179.1 | -176.7 | -0.1 | 110.6 | L868 K869 K874 L875 | L868-R871 WeakPolarHBondContact O-CA 3.47Å; L868-R871 WeakPolarHBondContact O-CB 3.35Å; L868-R871 PolarHBondContact O-N 2.93Å; K869-R871 PolarHBondContact O-N 2.88Å; R871-K874 PolarHBondContact O-N 2.93Å; R871-L875 WeakPolarHBondContact O-CG 3.45Å; R871-L875 PolarHBondContact O-N 3.49Å |
| 872 | F | 42.1 | Very low | 39.8 | Very low | 66 Ų | 66 | 92.9 Ų | 92.9 | 29% | 0.289 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -56.6 | -57.6 | 171.1 | 175.6 | -96.7 | 0 | 0 | 0 | 109.9 | W860 L868 K869 K874 L875 T876 | W860-F872 AromaticContact CD1-CZ 3.97Å; L868-F872 PolarHBondContact O-N 2.94Å; K869-F872 CarbonylContact O-C 3.58Å; K869-F872 WeakPolarHBondContact O-CA 3.14Å; K869-F872 WeakPolarHBondContact O-CB 3.35Å; K869-F872 PolarHBondContact O-N 2.84Å; F872-K874 PolarHBondContact O-N 2.71Å; F872-L875 PolarHBondContact O-N 2.87Å; F872-T876 HydrophobicContact CD1-CG2 4.5Å; F872-T876 HydrophobicContact CD2-CG2 4.15Å; F872-T876 HydrophobicContact CE1-CG2 4.25Å; F872-T876 HydrophobicContact CE2-CG2 3.88Å; F872-T876 HydrophobicContact CG-CG2 4.45Å; F872-T876 HydrophobicContact CZ-CG2 3.93Å; F872-T876 PolarHBondContact O-N 2.87Å; F872-T876 PolarHBondContact O-OG1 3.28Å |
| 873 | D | 42.9 | Very low | 39.3 | Very low | 73 Ų | 73 | 95.8 Ų | 95.8 | 39% | 0.39 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -53.5 | -32.6 | 177.9 | -50.1 | -27.4 | 0 | 0 | 0 | 112.4 | K869 S870 S877 | K869-D873 VanDerWaalsContact C-CG 3.5Å; K869-D873 WeakPolarHBondContact O-CB 3.19Å; K869-D873 PolarHBondContact O-N 2.95Å; S870-D873 PolarHBondContact N-OD2 3.36Å; D873-S877 WeakPolarHBondContact O-CA 3.29Å; D873-S877 WeakPolarHBondContact O-CB 3.49Å; D873-S877 PolarHBondContact O-N 3.43Å; D873-S877 PolarHBondContact O-OG 3.26Å |
| 874 | K | 43.1 | Very low | 38.7 | Very low | 128 Ų | 128 | 98.8 Ų | 98.8 | 56% | 0.557 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -78.7 | -31.9 | 178.2 | -116.9 | -174.1 | 179 | -174.7 | 0 | 114.1 | Y568 R871 F872 S877 | Y568-K874 PolarHBondContact OH-NZ 2.59Å; R871-K874 PolarHBondContact O-N 2.93Å; F872-K874 PolarHBondContact O-N 2.71Å; K874-S877 PolarHBondContact O-OG 3.16Å |
| 875 | L | 37.2 | Very low | 38.1 | Very low | 140 Ų | 140 | 99.8 Ų | 99.8 | 73% | 0.733 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -80.5 | -31.1 | 176.2 | -71.3 | 167.1 | 0 | 0 | 0 | 110.4 | R871 F872 | R871-L875 WeakPolarHBondContact O-CG 3.45Å; R871-L875 PolarHBondContact O-N 3.49Å; F872-L875 PolarHBondContact O-N 2.87Å |
| 876 | T | 38.1 | Very low | 37.5 | Very low | 23 Ų | 23 | 102.6 Ų | 102.6 | 14% | 0.141 | 54% | 0.538 | C | S | . | . | H | α-helix | trans | -93.7 | -19 | 179.6 | 62.4 | 0 | 0 | 0 | 0 | 114.1 | F872 V878 L879 F880 | F872-T876 HydrophobicContact CD1-CG2 4.5Å; F872-T876 HydrophobicContact CD2-CG2 4.15Å; F872-T876 HydrophobicContact CE1-CG2 4.25Å; F872-T876 HydrophobicContact CE2-CG2 3.88Å; F872-T876 HydrophobicContact CG-CG2 4.45Å; F872-T876 HydrophobicContact CZ-CG2 3.93Å; F872-T876 PolarHBondContact O-N 2.87Å; F872-T876 PolarHBondContact O-OG1 3.28Å; T876-V878 PolarHBondContact O-N 3.49Å; T876-L879 WeakPolarHBondContact O-CA 3.18Å; T876-L879 WeakPolarHBondContact O-CB 3.4Å; T876-L879 PolarHBondContact O-N 3.42Å; T876-F880 HydrophobicContact CG2-CE2 4.48Å; T876-F880 WeakPolarHBondContact O-CD2 3.29Å; T876-F880 PolarHBondContact O-N 2.83Å |
| 877 | S | 37 | Very low | 36.9 | Very low | 53 Ų | 53 | 110.1 Ų | 110.1 | 37% | 0.371 | 57% | 0.568 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -56 | -29.1 | 178.2 | 56 | 0 | 0 | 0 | 0 | 113.4 | D873 K874 F880 M881 | D873-S877 WeakPolarHBondContact O-CA 3.29Å; D873-S877 WeakPolarHBondContact O-CB 3.49Å; D873-S877 PolarHBondContact O-N 3.43Å; D873-S877 PolarHBondContact O-OG 3.26Å; K874-S877 PolarHBondContact O-OG 3.16Å; S877-F880 PolarHBondContact O-N 3.34Å; S877-M881 WeakPolarHBondContact O-CG 3.44Å; S877-M881 PolarHBondContact O-N 3.18Å; S877-M881 VanDerWaalsContact O-N 3.11Å |
| 878 | V | 36 | Very low | 36.1 | Very low | 107 Ų | 107 | 109.2 Ų | 109.2 | 65% | 0.648 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.1 | -25.7 | 177 | -171.9 | 0 | 0 | 0 | 0 | 112.2 | T876 F880 | T876-V878 PolarHBondContact O-N 3.49Å; V878-F880 VanDerWaalsContact C-N 3.33Å |
| 879 | L | 34.3 | Very low | 35.1 | Very low | 119 Ų | 119 | 114.7 Ų | 114.7 | 62% | 0.623 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | -16.9 | 171.7 | -64.6 | 167.6 | 0 | 0 | 0 | 112.8 | T876 | T876-L879 WeakPolarHBondContact O-CA 3.18Å; T876-L879 WeakPolarHBondContact O-CB 3.4Å; T876-L879 PolarHBondContact O-N 3.42Å |
| 880 | F | 36.3 | Very low | 34.2 | Very low | 91 Ų | 91 | 116.7 Ų | 116.7 | 40% | 0.399 | 63% | 0.631 | S | S | . | * | S | Bend | trans | -120.5 | 6.1 | -170.2 | -64.1 | -58.2 | 0 | 0 | 0 | 114.6 | V836 L843 T876 S877 V878 | V836-F880 HydrophobicContact CG1-CD1 3.85Å; V836-F880 HydrophobicContact CG1-CE1 3.53Å; V836-F880 HydrophobicContact CG1-CZ 4.19Å; L843-F880 HydrophobicContact CD1-CD1 3.9Å; L843-F880 HydrophobicContact CD1-CE1 3.34Å; L843-F880 HydrophobicContact CD1-CZ 4.3Å; T876-F880 HydrophobicContact CG2-CE2 4.48Å; T876-F880 WeakPolarHBondContact O-CD2 3.29Å; T876-F880 PolarHBondContact O-N 2.83Å; S877-F880 PolarHBondContact O-N 3.34Å; V878-F880 VanDerWaalsContact C-N 3.33Å |
| 881 | M | 33.7 | Very low | 33.3 | Very low | 146 Ų | 146 | 119.4 Ų | 119.4 | 72% | 0.719 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 123.6 | 171.9 | -74.3 | -126.2 | 64.2 | 0 | 0 | 110.3 | S877 | S877-M881 WeakPolarHBondContact O-CG 3.44Å; S877-M881 PolarHBondContact O-N 3.18Å; S877-M881 VanDerWaalsContact O-N 3.11Å |
| 882 | P | 34.8 | Very low | 32.6 | Very low | 103 Ų | 103 | 120 Ų | 120 | 67% | 0.669 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 134.8 | 179.1 | 29 | -34.2 | 0 | 0 | 0 | 110.7 | S884 | P882-S884 PolarHBondContact O-N 3.12Š|
| 883 | K | 32.7 | Very low | 31.8 | Very low | 205 Ų | 205 | 121.9 Ų | 121.9 | 89% | 0.891 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 116.3 | 157.4 | -70.1 | -177 | 178.9 | 179.9 | 0 | 107.2 | S885 | K883-S885 PolarHBondContact O-N 2.97Š|
| 884 | S | 30.1 | Very low | 30.9 | Very low | 122 Ų | 122 | 126 Ų | 126 | 85% | 0.853 | 70% | 0.702 | S | S | * | * | trans | -70.5 | 106.6 | 167.9 | 50 | 0 | 0 | 0 | 0 | 108.8 | P882 | P882-S884 PolarHBondContact O-N 3.12Š| ||
| 885 | S | 28.4 | Very low | 30.1 | Very low | 97 Ų | 97 | 125.9 Ų | 125.9 | 68% | 0.678 | 72% | 0.717 | S | S | * | * | trans | -88.9 | 128.1 | 164.2 | 64.7 | 0 | 0 | 0 | 0 | 108.8 | K883 | K883-S885 PolarHBondContact O-N 2.97Š| ||
| 886 | D | 27.2 | Very low | 29.6 | Very low | 145 Ų | 145 | 125 Ų | 125 | 78% | 0.775 | 72% | 0.718 | S | S | * | * | 160.4 | 83.4 | 123.7 | -77.5 | 1.9 | 0 | 0 | 0 | 109.4 | |||||
| 887 | E | 27.8 | Very low | 29.1 | Very low | 205 Ų | 205 | 130 Ų | 130 | 96% | 0.958 | 74% | 0.744 | S | S | * | * | trans | -173.1 | 164.1 | 132.4 | -103.3 | 173.6 | -167.4 | 0 | 0 | 109.3 | ||||
| 888 | A | 24.9 | Very low | 28.5 | Very low | 91 Ų | 91 | 136 Ų | 136 | 75% | 0.752 | 77% | 0.766 | S | S | * | * | trans | -105.3 | 157.7 | -158.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 889 | E | 23.9 | Very low | 28.1 | Very low | 183 Ų | 183 | 134.1 Ų | 134.1 | 86% | 0.855 | 77% | 0.767 | S | S | * | * | S | Bend | trans | 62.7 | 128.4 | 162.5 | -57.3 | -165.9 | 140.3 | 0 | 0 | 120.5 | ||
| 890 | S | 23.7 | Very low | 28 | Very low | 113 Ų | 113 | 135.8 Ų | 135.8 | 79% | 0.79 | 77% | 0.772 | S | S | * | * | trans | 54.8 | 82.9 | 151 | 64.8 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 891 | V | 25.2 | Very low | 27.6 | Very low | 137 Ų | 137 | 137.2 Ų | 137.2 | 83% | 0.83 | 79% | 0.793 | S | S | * | * | -148.4 | 111.5 | 124.6 | 179.5 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 892 | L | 25.2 | Very low | 27.5 | Very low | 173 Ų | 173 | 141.4 Ų | 141.4 | 91% | 0.906 | 80% | 0.801 | S | S | * | * | trans | 178.3 | 53.4 | 140.6 | -101.8 | 167.8 | 0 | 0 | 0 | 110.9 | ||||
| 893 | S | 24.7 | Very low | 27.4 | Very low | 106 Ų | 106 | 140.3 Ų | 140.3 | 74% | 0.741 | 79% | 0.788 | S | S | * | * | trans | -84.7 | 122.7 | 175.1 | 49.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 894 | N | 25.1 | Very low | 27.2 | Very low | 158 Ų | 158 | 134.4 Ų | 134.4 | 85% | 0.845 | 77% | 0.771 | S | S | * | * | trans | 49.9 | 94.7 | 158.5 | -61 | -11.3 | 0 | 0 | 0 | 118.9 | ||||
| 895 | S | 26.9 | Very low | 27.3 | Very low | 126 Ų | 126 | 135 Ų | 135 | 88% | 0.881 | 76% | 0.764 | S | S | * | * | trans | -165.3 | 163.5 | 132.6 | 26.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 896 | T | 25.9 | Very low | 27.6 | Very low | 123 Ų | 123 | 136.2 Ų | 136.2 | 76% | 0.755 | 76% | 0.763 | S | S | * | * | trans | -106 | 166.7 | -163.6 | 58.9 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 897 | D | 26.6 | Very low | 28 | Very low | 126 Ų | 126 | 134.3 Ų | 134.3 | 67% | 0.674 | 75% | 0.752 | S | S | * | * | trans | 96.6 | 130.5 | 150 | -75.1 | -65.8 | 0 | 0 | 0 | 121.9 | ||||
| 898 | H | 26.2 | Very low | 28.3 | Very low | 181 Ų | 181 | 131.6 Ų | 131.6 | 84% | 0.838 | 74% | 0.739 | S | S | * | * | trans | 73.1 | 89.4 | 159.2 | -56.4 | -0.1 | 0 | 0 | 0 | 118.3 | ||||
| 899 | G | 27.1 | Very low | 28.8 | Very low | 66 Ų | 66 | 132.3 Ų | 132.3 | 68% | 0.68 | 73% | 0.73 | S | S | * | * | trans | -170.1 | -22 | 168 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 900 | H | 31.3 | Very low | 29.3 | Very low | 155 Ų | 155 | 125.5 Ų | 125.5 | 72% | 0.718 | 71% | 0.709 | S | S | * | * | trans | -126.8 | 59.3 | -158 | -69.4 | -39.7 | 0 | 0 | 0 | 118.8 | R902 I903 | H900-R902 VanDerWaalsContact C-N 3.29Å; H900-R902 PolarHBondContact O-N 3.32Å; H900-R902 VanDerWaalsContact O-N 3.11Å; H900-I903 HydrophobicContact CB-CD1 4.02Å | ||
| 901 | S | 28.3 | Very low | 29.9 | Very low | 121 Ų | 121 | 123.3 Ų | 123.3 | 85% | 0.846 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.2 | 62.8 | 163.3 | 52.9 | 0 | 0 | 0 | 0 | 113 | ||
| 902 | R | 30.9 | Very low | 30.3 | Very low | 234 Ų | 234 | 119 Ų | 119 | 88% | 0.883 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -168 | 9 | 172.9 | -117.4 | 164.5 | -161.7 | 169 | 6.7 | 118.2 | H900 | H900-R902 VanDerWaalsContact C-N 3.29Å; H900-R902 PolarHBondContact O-N 3.32Å; H900-R902 VanDerWaalsContact O-N 3.11Å |
| 903 | I | 32.9 | Very low | 30.9 | Very low | 79 Ų | 79 | 114.3 Ų | 114.3 | 41% | 0.405 | 64% | 0.642 | S | S | . | * | trans | -108.4 | -28.3 | -169.4 | -61.7 | -178.4 | 0 | 0 | 0 | 115.6 | H900 D905 L906 L907 | H900-I903 HydrophobicContact CB-CD1 4.02Å; I903-D905 PolarHBondContact O-N 3.46Å; I903-L906 PolarHBondContact O-N 2.79Å; I903-L907 HydrophobicContact CG2-CD1 3.95Å; I903-L907 HydrophobicContact CG2-CG 4.48Å | ||
| 904 | P | 28.6 | Very low | 31.5 | Very low | 81 Ų | 81 | 113.3 Ų | 113.3 | 53% | 0.526 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -54.4 | -49.7 | -175.6 | -28.6 | 35.9 | 0 | 0 | 0 | 114.9 | L906 L907 E908 | P904-L906 PolarHBondContact O-N 3.37Å; P904-L907 WeakPolarHBondContact O-CB 3.25Å; P904-L907 PolarHBondContact O-N 2.94Å; P904-E908 PolarHBondContact O-N 2.83Å |
| 905 | D | 32.9 | Very low | 32 | Very low | 134 Ų | 134 | 111.1 Ų | 111.1 | 72% | 0.717 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -62.8 | -20.5 | -170.3 | -40.4 | -6 | 0 | 0 | 0 | 113.7 | I903 | I903-D905 PolarHBondContact O-N 3.46Å |
| 906 | L | 35.6 | Very low | 32.5 | Very low | 123 Ų | 123 | 110.3 Ų | 110.3 | 64% | 0.644 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -90 | -25.4 | 175.7 | -119.7 | 76.7 | 0 | 0 | 0 | 113.1 | I903 P904 G910 | I903-L906 PolarHBondContact O-N 2.79Å; P904-L906 PolarHBondContact O-N 3.37Å; L906-G910 PolarHBondContact O-N 2.96Å |
| 907 | L | 34.9 | Very low | 33.2 | Very low | 105 Ų | 105 | 107.6 Ų | 107.6 | 55% | 0.55 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -70.7 | -36.5 | 178.6 | -86.2 | 163.9 | 0 | 0 | 0 | 111.6 | I903 P904 L909 G910 C911 | I903-L907 HydrophobicContact CG2-CD1 3.95Å; I903-L907 HydrophobicContact CG2-CG 4.48Å; P904-L907 WeakPolarHBondContact O-CB 3.25Å; P904-L907 PolarHBondContact O-N 2.94Å; L907-L909 VanDerWaalsContact C-N 3.34Å; L907-L909 PolarHBondContact O-N 3.3Å; L907-G910 PolarHBondContact O-N 3.08Å; L907-C911 WeakPolarHBondContact O-CB 3.41Å; L907-C911 PolarHBondContact O-N 2.95Å; L907-C911 PolarHBondContact O-SG 3.2Å |
| 908 | E | 34.3 | Very low | 33.8 | Very low | 148 Ų | 148 | 106.3 Ų | 106.3 | 69% | 0.692 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -65.3 | -37.9 | 175.5 | -62.8 | -165.1 | 140.6 | 0 | 0 | 112.4 | P904 T912 | P904-E908 PolarHBondContact O-N 2.83Å; E908-T912 WeakPolarHBondContact O-CB 3.37Å; E908-T912 WeakPolarHBondContact O-CG2 3.44Å; E908-T912 PolarHBondContact O-N 3.36Å; E908-T912 PolarHBondContact O-OG1 2.86Å |
| 909 | L | 33.9 | Very low | 34.2 | Very low | 106 Ų | 106 | 102.9 Ų | 102.9 | 56% | 0.555 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -66.5 | -44.3 | 174.4 | -162.9 | 73 | 0 | 0 | 0 | 111.1 | L907 T912 I913 | L907-L909 VanDerWaalsContact C-N 3.34Å; L907-L909 PolarHBondContact O-N 3.3Å; L909-T912 PolarHBondContact O-OG1 3.01Å; L909-I913 HydrophobicContact CG-CD1 4.23Å; L909-I913 VanDerWaalsContact O-CG1 3.31Å; L909-I913 WeakPolarHBondContact O-CG1 3.36Å; L909-I913 PolarHBondContact O-N 3.11Å; L909-I913 VanDerWaalsContact O-N 3.09Å |
| 910 | G | 34.9 | Very low | 34.6 | Very low | 40 Ų | 40 | 101 Ų | 101 | 41% | 0.412 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -60.1 | -48.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L906 L907 I913 N914 | L906-G910 PolarHBondContact O-N 2.96Å; L907-G910 PolarHBondContact O-N 3.08Å; G910-I913 PolarHBondContact O-N 3.49Å; G910-N914 VanDerWaalsContact O-CB 3.28Å; G910-N914 WeakPolarHBondContact O-CB 3.47Å; G910-N914 PolarHBondContact O-N 2.84Å |
| 911 | C | 36 | Very low | 34.9 | Very low | 67 Ų | 67 | 97 Ų | 97 | 45% | 0.453 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.2 | -40.8 | 179.9 | -74.5 | 0 | 0 | 0 | 0 | 112.7 | L907 N914 Q915 | L907-C911 WeakPolarHBondContact O-CB 3.41Å; L907-C911 PolarHBondContact O-N 2.95Å; L907-C911 PolarHBondContact O-SG 3.2Å; C911-N914 PolarHBondContact O-N 2.78Å; C911-Q915 WeakPolarHBondContact O-CB 3.23Å; C911-Q915 VanDerWaalsContact O-CG 3.29Å; C911-Q915 WeakPolarHBondContact O-CG 3.49Å; C911-Q915 PolarHBondContact O-N 3.06Å |
| 912 | T | 33.7 | Very low | 35.3 | Very low | 48 Ų | 48 | 94.4 Ų | 94.4 | 29% | 0.294 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -70.7 | -37.2 | 178.9 | 49.5 | 0 | 0 | 0 | 0 | 112.8 | E908 L909 I916 | E908-T912 WeakPolarHBondContact O-CB 3.37Å; E908-T912 WeakPolarHBondContact O-CG2 3.44Å; E908-T912 PolarHBondContact O-N 3.36Å; E908-T912 PolarHBondContact O-OG1 2.86Å; L909-T912 PolarHBondContact O-OG1 3.01Å; T912-I916 WeakPolarHBondContact O-CG1 3.22Å; T912-I916 PolarHBondContact O-N 3.2Å |
| 913 | I | 37.5 | Very low | 35.4 | Very low | 73 Ų | 73 | 86 Ų | 86 | 37% | 0.374 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61.8 | -47.8 | 170 | -69.2 | 168.3 | 0 | 0 | 0 | 110.1 | L909 G910 Q915 I916 Q917 | L909-I913 HydrophobicContact CG-CD1 4.23Å; L909-I913 VanDerWaalsContact O-CG1 3.31Å; L909-I913 WeakPolarHBondContact O-CG1 3.36Å; L909-I913 PolarHBondContact O-N 3.11Å; L909-I913 VanDerWaalsContact O-N 3.09Å; G910-I913 PolarHBondContact O-N 3.49Å; I913-Q915 VanDerWaalsContact C-N 3.31Å; I913-Q915 PolarHBondContact O-N 3.46Å; I913-I916 PolarHBondContact O-N 3.2Å; I913-Q917 VanDerWaalsContact O-CB 3.26Å; I913-Q917 WeakPolarHBondContact O-CB 3.31Å; I913-Q917 PolarHBondContact O-N 3.48Å |
| 914 | N | 37.3 | Very low | 35.5 | Very low | 85 Ų | 85 | 87.8 Ų | 87.8 | 46% | 0.455 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65.6 | -31.4 | -177.2 | -152.8 | 7.3 | 0 | 0 | 0 | 112.6 | G910 C911 L918 | G910-N914 VanDerWaalsContact O-CB 3.28Å; G910-N914 WeakPolarHBondContact O-CB 3.47Å; G910-N914 PolarHBondContact O-N 2.84Å; C911-N914 PolarHBondContact O-N 2.78Å; N914-L918 VanDerWaalsContact O-CB 3.31Å; N914-L918 WeakPolarHBondContact O-CB 3.43Å; N914-L918 WeakPolarHBondContact O-CG 3.39Å; N914-L918 PolarHBondContact O-N 3.33Å |
| 915 | Q | 37.1 | Very low | 35.8 | Very low | 112 Ų | 112 | 90.4 Ų | 90.4 | 52% | 0.523 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -69.6 | -42.3 | 172.7 | -76.5 | 171.6 | -5.5 | 0 | 0 | 113 | C911 I913 Q917 L918 L919 | C911-Q915 WeakPolarHBondContact O-CB 3.23Å; C911-Q915 VanDerWaalsContact O-CG 3.29Å; C911-Q915 WeakPolarHBondContact O-CG 3.49Å; C911-Q915 PolarHBondContact O-N 3.06Å; I913-Q915 VanDerWaalsContact C-N 3.31Å; I913-Q915 PolarHBondContact O-N 3.46Å; Q915-Q917 VanDerWaalsContact C-N 3.34Å; Q915-L918 PolarHBondContact O-N 2.88Å; Q915-L919 PolarHBondContact O-N 2.57Å |
| 916 | I | 36.3 | Very low | 35.7 | Very low | 110 Ų | 110 | 90.3 Ų | 90.3 | 56% | 0.564 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -65.5 | -41.7 | 175.1 | -67.2 | 167.3 | 0 | 0 | 0 | 110.2 | T912 I913 L919 A920 | T912-I916 WeakPolarHBondContact O-CG1 3.22Å; T912-I916 PolarHBondContact O-N 3.2Å; I913-I916 PolarHBondContact O-N 3.2Å; I916-L919 WeakPolarHBondContact O-CB 3.43Å; I916-L919 PolarHBondContact O-N 2.88Å; I916-A920 PolarHBondContact O-N 3.18Å |
| 917 | Q | 40.5 | Very low | 35.7 | Very low | 65 Ų | 65 | 91.5 Ų | 91.5 | 30% | 0.304 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61.1 | -45.1 | 173.2 | 173 | 174.4 | -11.4 | 0 | 0 | 111.8 | P845 I913 Q915 L919 A920 T921 | P845-Q917 HydrophobicContact CB-CB 4.24Å; P845-Q917 HydrophobicContact CB-CG 3.6Å; P845-Q917 HydrophobicContact CG-CG 4.46Å; I913-Q917 VanDerWaalsContact O-CB 3.26Å; I913-Q917 WeakPolarHBondContact O-CB 3.31Å; I913-Q917 PolarHBondContact O-N 3.48Å; Q915-Q917 VanDerWaalsContact C-N 3.34Å; Q917-L919 VanDerWaalsContact C-N 3.32Å; Q917-L919 PolarHBondContact O-N 3.28Å; Q917-A920 CarbonylContact O-C 3.58Å; Q917-A920 PolarHBondContact O-N 3.32Å; Q917-T921 WeakPolarHBondContact O-CB 3.27Å; Q917-T921 PolarHBondContact O-N 3.46Å; Q917-T921 PolarHBondContact O-OG1 3.31Å; Q917-T921 VanDerWaalsContact O-OG1 3.05Å |
| 918 | L | 38.6 | Very low | 35.7 | Very low | 99 Ų | 99 | 92.3 Ų | 92.3 | 52% | 0.518 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -59.9 | -38.9 | 174.2 | -92.6 | 161.4 | 0 | 0 | 0 | 112.5 | N914 Q915 T921 L922 | N914-L918 VanDerWaalsContact O-CB 3.31Å; N914-L918 WeakPolarHBondContact O-CB 3.43Å; N914-L918 WeakPolarHBondContact O-CG 3.39Å; N914-L918 PolarHBondContact O-N 3.33Å; Q915-L918 PolarHBondContact O-N 2.88Å; L918-T921 PolarHBondContact O-N 3.18Å; L918-L922 VanDerWaalsContact O-CB 3.29Å; L918-L922 WeakPolarHBondContact O-CB 3.35Å; L918-L922 PolarHBondContact O-N 3Å |
| 919 | L | 35.7 | Very low | 35.4 | Very low | 109 Ų | 109 | 87.6 Ų | 87.6 | 57% | 0.571 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -63.2 | -44.4 | 173.5 | -119.1 | 80.6 | 0 | 0 | 0 | 112.1 | Q915 I916 Q917 L922 S923 | Q915-L919 PolarHBondContact O-N 2.57Å; I916-L919 WeakPolarHBondContact O-CB 3.43Å; I916-L919 PolarHBondContact O-N 2.88Å; Q917-L919 VanDerWaalsContact C-N 3.32Å; Q917-L919 PolarHBondContact O-N 3.28Å; L919-L922 PolarHBondContact O-N 2.91Å; L919-S923 PolarHBondContact O-N 3.34Å; L919-S923 PolarHBondContact O-OG 3.44Å |
| 920 | A | 35.8 | Very low | 35.1 | Very low | 27 Ų | 27 | 91.3 Ų | 91.3 | 22% | 0.223 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -70.6 | -31.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | P846 I916 Q917 S923 K924 | P846-A920 HydrophobicContact CG-CB 4.24Å; I916-A920 PolarHBondContact O-N 3.18Å; Q917-A920 CarbonylContact O-C 3.58Å; Q917-A920 PolarHBondContact O-N 3.32Å; A920-S923 PolarHBondContact O-OG 3.24Å; A920-K924 WeakPolarHBondContact O-CB 3.43Å; A920-K924 PolarHBondContact O-N 3.07Å |
| 921 | T | 37.8 | Very low | 34.8 | Very low | 71 Ų | 71 | 95.5 Ų | 95.5 | 44% | 0.436 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -77 | -35.8 | 174.3 | -60.1 | 0 | 0 | 0 | 0 | 111 | Q917 L918 K924 H925 | Q917-T921 WeakPolarHBondContact O-CB 3.27Å; Q917-T921 PolarHBondContact O-N 3.46Å; Q917-T921 PolarHBondContact O-OG1 3.31Å; Q917-T921 VanDerWaalsContact O-OG1 3.05Å; L918-T921 PolarHBondContact O-N 3.18Å; T921-K924 PolarHBondContact O-N 2.81Å; T921-H925 VanDerWaalsContact O-CB 3.27Å; T921-H925 WeakPolarHBondContact O-CB 3.15Å; T921-H925 PolarHBondContact O-N 3.11Å |
| 922 | L | 35.2 | Very low | 34.3 | Very low | 66 Ų | 66 | 98.2 Ų | 98.2 | 35% | 0.346 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.7 | -47 | 169.7 | -95.5 | 156.9 | 0 | 0 | 0 | 111.5 | L918 L919 H925 W926 | L918-L922 VanDerWaalsContact O-CB 3.29Å; L918-L922 WeakPolarHBondContact O-CB 3.35Å; L918-L922 PolarHBondContact O-N 3Å; L919-L922 PolarHBondContact O-N 2.91Å; L922-H925 PolarHBondContact O-N 3.27Å; L922-W926 WeakPolarHBondContact O-CB 3.4Å; L922-W926 PolarHBondContact O-N 2.86Å |
| 923 | S | 33.9 | Very low | 34.1 | Very low | 57 Ų | 57 | 99.6 Ų | 99.6 | 40% | 0.399 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.5 | -41.6 | 176.3 | 62.9 | 0 | 0 | 0 | 0 | 112.2 | L919 A920 H925 W926 F927 | L919-S923 PolarHBondContact O-N 3.34Å; L919-S923 PolarHBondContact O-OG 3.44Å; A920-S923 PolarHBondContact O-OG 3.24Å; S923-H925 VanDerWaalsContact C-N 3.31Å; S923-H925 PolarHBondContact O-N 2.99Å; S923-W926 PolarHBondContact O-N 3.05Å; S923-F927 VanDerWaalsContact O-CD2 3.27Å; S923-F927 WeakPolarHBondContact O-CD2 3.36Å; S923-F927 PolarHBondContact O-N 3.36Å |
| 924 | K | 34.4 | Very low | 33.6 | Very low | 117 Ų | 117 | 100.7 Ų | 100.7 | 51% | 0.509 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -58 | -42.2 | 172.5 | -170.1 | 176.4 | -178.4 | -174.7 | 0 | 111.7 | A920 T921 I928 | A920-K924 WeakPolarHBondContact O-CB 3.43Å; A920-K924 PolarHBondContact O-N 3.07Å; T921-K924 PolarHBondContact O-N 2.81Å; K924-I928 HydrophobicContact CD-CD1 4.46Å; K924-I928 HydrophobicContact CG-CD1 3.68Å; K924-I928 VanDerWaalsContact O-CB 3.32Å; K924-I928 WeakPolarHBondContact O-CB 3.1Å; K924-I928 WeakPolarHBondContact O-CG1 3.33Å; K924-I928 PolarHBondContact O-N 2.87Å; K924-I928 VanDerWaalsContact O-N 3.11Å |
| 925 | H | 35.5 | Very low | 33 | Very low | 136 Ų | 136 | 102.5 Ų | 102.5 | 63% | 0.63 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -71.6 | -37.7 | 179.7 | -162.2 | -22.9 | 0 | 0 | 0 | 112.7 | T921 L922 S923 F927 G929 | T921-H925 VanDerWaalsContact O-CB 3.27Å; T921-H925 WeakPolarHBondContact O-CB 3.15Å; T921-H925 PolarHBondContact O-N 3.11Å; L922-H925 PolarHBondContact O-N 3.27Å; S923-H925 VanDerWaalsContact C-N 3.31Å; S923-H925 PolarHBondContact O-N 2.99Å; H925-F927 VanDerWaalsContact C-N 3.31Å; H925-F927 PolarHBondContact O-N 3.22Å; H925-G929 PolarHBondContact O-N 2.86Å; H925-G929 VanDerWaalsContact O-N 3.12Å |
| 926 | W | 31.2 | Very low | 32.5 | Very low | 133 Ų | 133 | 102.8 Ų | 102.8 | 50% | 0.504 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62.2 | -34.9 | 176.9 | -85.6 | 42.5 | 0 | 0 | 0 | 112.9 | L922 S923 E1237 | L922-W926 WeakPolarHBondContact O-CB 3.4Å; L922-W926 PolarHBondContact O-N 2.86Å; S923-W926 PolarHBondContact O-N 3.05Å; W926-E1237 WeakPolarHBondContact CZ3-OE2 3.31Å |
| 927 | F | 35.1 | Very low | 32 | Very low | 148 Ų | 148 | 103 Ų | 103 | 65% | 0.649 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -102.2 | -9.2 | -176.5 | -65.3 | -64.6 | 0 | 0 | 0 | 115.5 | S923 H925 | S923-F927 VanDerWaalsContact O-CD2 3.27Å; S923-F927 WeakPolarHBondContact O-CD2 3.36Å; S923-F927 PolarHBondContact O-N 3.36Å; H925-F927 VanDerWaalsContact C-N 3.31Å; H925-F927 PolarHBondContact O-N 3.22Å |
| 928 | I | 34.6 | Very low | 31.3 | Very low | 121 Ų | 121 | 106 Ų | 106 | 62% | 0.621 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -106.1 | -15.5 | 175.6 | -61.2 | -177.9 | 0 | 0 | 0 | 112.4 | K924 K930 | K924-I928 HydrophobicContact CD-CD1 4.46Å; K924-I928 HydrophobicContact CG-CD1 3.68Å; K924-I928 VanDerWaalsContact O-CB 3.32Å; K924-I928 WeakPolarHBondContact O-CB 3.1Å; K924-I928 WeakPolarHBondContact O-CG1 3.33Å; K924-I928 PolarHBondContact O-N 2.87Å; K924-I928 VanDerWaalsContact O-N 3.11Å; I928-K930 VanDerWaalsContact C-N 3.28Å; I928-K930 PolarHBondContact O-N 2.84Å |
| 929 | G | 28 | Very low | 30.6 | Very low | 50 Ų | 50 | 106.9 Ų | 106.9 | 52% | 0.515 | 58% | 0.578 | S | S | . | * | trans | -72.3 | 49.8 | -173.4 | 0 | 0 | 0 | 0 | 0 | 117.8 | H925 | H925-G929 PolarHBondContact O-N 2.86Å; H925-G929 VanDerWaalsContact O-N 3.12Å | ||
| 930 | K | 28.4 | Very low | 30.2 | Very low | 184 Ų | 184 | 108.6 Ų | 108.6 | 80% | 0.8 | 59% | 0.588 | S | S | * | * | trans | -163.5 | 104.7 | 158.3 | -117 | 168 | -172.3 | 177.8 | 0 | 114.5 | I928 | I928-K930 VanDerWaalsContact C-N 3.28Å; I928-K930 PolarHBondContact O-N 2.84Å | ||
| 931 | N | 28.6 | Very low | 29.6 | Very low | 127 Ų | 127 | 112.5 Ų | 112.5 | 68% | 0.679 | 61% | 0.614 | S | S | * | * | trans | 139.7 | 103.5 | 132.1 | -68.6 | -37.1 | 0 | 0 | 0 | 113.3 | ||||
| 932 | Y | 26 | Very low | 29.3 | Very low | 124 Ų | 124 | 114.7 Ų | 114.7 | 49% | 0.486 | 63% | 0.629 | S | S | . | * | trans | -140.1 | 109.5 | 154 | -99.3 | -93.4 | 0 | 0 | 0 | 109.2 | H762 | H762-Y932 HydrophobicContact CB-CD1 4.3Å; H762-Y932 HydrophobicContact CB-CD2 3.7Å; H762-Y932 HydrophobicContact CB-CE2 4.43Å; H762-Y932 HydrophobicContact CB-CG 3.62Å; H762-Y932 VanDerWaalsContact O-CD1 3.31Å; H762-Y932 WeakPolarHBondContact O-CD1 3.41Å | ||
| 933 | N | 28.4 | Very low | 28.7 | Very low | 78 Ų | 78 | 120.8 Ų | 120.8 | 42% | 0.417 | 65% | 0.647 | S | S | . | * | -179.3 | 153.1 | 127.9 | -82.7 | -21.9 | 0 | 0 | 0 | 109.6 | L764 N765 | L764-N933 WeakPolarHBondContact CD2-OD1 3.38Å; N765-N933 PolarHBondContact OD1-ND2 2.91Å | |||
| 934 | S | 27 | Very low | 28.2 | Very low | 96 Ų | 96 | 125.3 Ų | 125.3 | 67% | 0.671 | 67% | 0.666 | S | S | * | * | trans | -126.2 | -162.2 | -162.8 | 60.2 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 935 | T | 25.2 | Very low | 27.8 | Very low | 122 Ų | 122 | 126.5 Ų | 126.5 | 75% | 0.748 | 67% | 0.673 | S | S | * | * | trans | 84.8 | 146.4 | 178.2 | 73.4 | 0 | 0 | 0 | 0 | 115 | ||||
| 936 | T | 25.9 | Very low | 27.4 | Very low | 118 Ų | 118 | 127.6 Ų | 127.6 | 72% | 0.724 | 68% | 0.683 | S | S | * | * | cis | -172.6 | 164.3 | -20.2 | 30.6 | 0 | 0 | 0 | 0 | 107 | ||||
| 937 | T | 26.2 | Very low | 27 | Very low | 116 Ų | 116 | 124.1 Ų | 124.1 | 71% | 0.712 | 68% | 0.679 | S | S | * | * | cis | -169.9 | 157.9 | 2 | 15.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 938 | T | 25.7 | Very low | 26.7 | Very low | 127 Ų | 127 | 123.3 Ų | 123.3 | 78% | 0.779 | 69% | 0.686 | S | S | * | * | cis | -124.4 | -117.2 | -5.7 | -38.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 939 | T | 24.3 | Very low | 26.6 | Very low | 117 Ų | 117 | 121.4 Ų | 121.4 | 72% | 0.718 | 68% | 0.684 | S | S | * | * | cis | -143.5 | 162.9 | -3.3 | 31.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 940 | N | 27.4 | Very low | 26.9 | Very low | 145 Ų | 145 | 125.9 Ų | 125.9 | 78% | 0.775 | 69% | 0.685 | S | S | * | * | trans | 52.8 | 95.7 | 164.7 | -69.1 | -4.5 | 0 | 0 | 0 | 120.2 | ||||
| 941 | S | 23.1 | Very low | 27.2 | Very low | 110 Ų | 110 | 122 Ų | 122 | 77% | 0.769 | 67% | 0.67 | S | S | * | * | 84.3 | 144.9 | 122.1 | -63.6 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 942 | P | 31 | Very low | 27.6 | Very low | 117 Ų | 117 | 119.8 Ų | 119.8 | 76% | 0.76 | 66% | 0.655 | S | S | * | * | -143.7 | 140.1 | -120.3 | 38.9 | -19.3 | 0 | 0 | 0 | 119 | |||||
| 943 | R | 23.2 | Very low | 28.1 | Very low | 194 Ų | 194 | 115.8 Ų | 115.8 | 73% | 0.732 | 65% | 0.645 | S | S | * | * | trans | -157.7 | 138.7 | 146 | -95.2 | 150.1 | -162.7 | -161 | 8.1 | 107.1 | ||||
| 944 | L | 22.3 | Very low | 28.4 | Very low | 151 Ų | 151 | 113.7 Ų | 113.7 | 79% | 0.791 | 63% | 0.633 | S | S | * | * | 66 | 69.7 | 52.1 | -78.1 | 169.6 | 0 | 0 | 0 | 114.9 | |||||
| 945 | H | 26.6 | Very low | 29.1 | Very low | 142 Ų | 142 | 112.9 Ų | 112.9 | 66% | 0.657 | 62% | 0.619 | S | S | * | * | trans | -145.7 | 122.3 | 136.6 | -125.1 | -92.2 | 0 | 0 | 0 | 111.1 | S947 | H945-S947 PolarHBondContact ND1-OG 3.45Š| ||
| 946 | L | 26.9 | Very low | 29.8 | Very low | 160 Ų | 160 | 110.1 Ų | 110.1 | 84% | 0.838 | 60% | 0.599 | S | S | * | * | trans | -129.3 | 91.6 | 179.6 | -170.7 | 83.5 | 0 | 0 | 0 | 107 | ||||
| 947 | S | 23.4 | Very low | 30.3 | Very low | 60 Ų | 60 | 104.8 Ų | 104.8 | 42% | 0.42 | 57% | 0.566 | S | S | . | * | trans | -155.3 | 140.8 | -168.9 | 50.4 | 0 | 0 | 0 | 0 | 112.7 | H945 | H945-S947 PolarHBondContact ND1-OG 3.45Š| ||
| 948 | T | 29.1 | Very low | 30.9 | Very low | 130 Ų | 130 | 103.3 Ų | 103.3 | 80% | 0.798 | 55% | 0.553 | S | S | * | * | trans | 50.6 | 87.5 | 171.5 | 48.5 | 0 | 0 | 0 | 0 | 115.8 | R950 | T948-R950 PolarHBondContact O-N 3.35Å; T948-R950 VanDerWaalsContact O-N 3.12Å | ||
| 949 | S | 32.3 | Very low | 31.7 | Very low | 82 Ų | 82 | 102.1 Ų | 102.1 | 57% | 0.573 | 54% | 0.537 | S | S | * | . | trans | -51.7 | 112.6 | 156.3 | 47.1 | 0 | 0 | 0 | 0 | 110.1 | Q951 | S949-Q951 PolarHBondContact O-N 3.49Š| ||
| 950 | R | 33.2 | Very low | 32.4 | Very low | 144 Ų | 144 | 98.3 Ų | 98.3 | 54% | 0.543 | 51% | 0.514 | S | S | . | . | trans | -63.4 | 98.5 | 171.8 | -61.9 | 178.6 | -176.4 | -170.3 | -0.8 | 108.1 | T948 H952 D1211 | T948-R950 PolarHBondContact O-N 3.35Å; T948-R950 VanDerWaalsContact O-N 3.12Å; R950-H952 PolarHBondContact O-N 3.41Å; R950-H952 VanDerWaalsContact O-N 3.1Å; R950-D1211 IonicContact CZ-OD1 3.69Å; R950-D1211 IonicContact NH1-OD1 3.97Å; R950-D1211 PolarHBondContact NH1-OD1 3.04Å; R950-D1211 IonicContact NH2-OD1 3.39Å; R950-D1211 PolarHBondContact NH2-OD1 3.34Å | ||
| 951 | Q | 34.9 | Very low | 32.8 | Very low | 101 Ų | 101 | 94.8 Ų | 94.8 | 47% | 0.472 | 49% | 0.49 | S | S | . | . | trans | -57 | 118.6 | 168.2 | -82.5 | -179.4 | -6.3 | 0 | 0 | 107.2 | S949 | S949-Q951 PolarHBondContact O-N 3.49Š| ||
| 952 | H | 37.3 | Very low | 33.5 | Very low | 81 Ų | 81 | 93.6 Ų | 93.6 | 38% | 0.375 | 47% | 0.474 | S | S | . | . | trans | -65.8 | 128.5 | -175.1 | -137.9 | -77.9 | 0 | 0 | 0 | 107.4 | R950 I954 E955 Y1229 | R950-H952 PolarHBondContact O-N 3.41Å; R950-H952 VanDerWaalsContact O-N 3.1Å; H952-I954 PolarHBondContact O-N 3Å; H952-E955 WeakPolarHBondContact O-CB 3.35Å; H952-E955 PolarHBondContact O-N 2.84Å; H952-Y1229 AromaticContact CE1-CE1 3.67Å | ||
| 953 | P | 37.6 | Very low | 33.9 | Very low | 41 Ų | 41 | 91 Ų | 91 | 27% | 0.266 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -54.4 | -29.9 | -172 | -31.9 | 37.5 | 0 | 0 | 0 | 114.2 | E955 I956 S957 L1226 | P953-E955 PolarHBondContact O-N 2.93Å; P953-I956 WeakPolarHBondContact O-CA 3.35Å; P953-I956 WeakPolarHBondContact O-CB 3.17Å; P953-I956 PolarHBondContact O-N 3.47Å; P953-S957 PolarHBondContact O-N 2.93Å; P953-S957 PolarHBondContact O-OG 2.9Å; P953-L1226 HydrophobicContact CB-CD1 3.76Å; P953-L1226 HydrophobicContact CB-CD2 3.54Å; P953-L1226 HydrophobicContact CB-CG 4.31Å; P953-L1226 HydrophobicContact CG-CD1 3.85Å; P953-L1226 HydrophobicContact CG-CD2 4.45Å |
| 954 | I | 34.2 | Very low | 34.5 | Very low | 34 Ų | 34 | 89 Ų | 89 | 17% | 0.174 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -51.2 | -36.3 | 171.2 | -63.4 | 174.8 | 0 | 0 | 0 | 113.4 | H952 I956 S957 I958 Y1229 V1230 L1233 | H952-I954 PolarHBondContact O-N 3Å; I954-I956 VanDerWaalsContact C-N 3.27Å; I954-I956 PolarHBondContact O-N 3.49Å; I954-S957 PolarHBondContact O-N 3.45Å; I954-I958 HydrophobicContact CG2-CD1 3.81Å; I954-I958 HydrophobicContact CG2-CG1 4.35Å; I954-I958 WeakPolarHBondContact O-CB 3.25Å; I954-I958 VanDerWaalsContact O-CG1 3.26Å; I954-I958 WeakPolarHBondContact O-CG1 3.37Å; I954-I958 PolarHBondContact O-N 3.43Å; I954-Y1229 HydrophobicContact CD1-CD1 3.9Å; I954-Y1229 HydrophobicContact CD1-CE1 3.67Å; I954-V1230 HydrophobicContact CD1-CG2 4.39Å; I954-V1230 HydrophobicContact CG1-CG2 4Å; I954-L1233 HydrophobicContact CD1-CD1 3.44Å; I954-L1233 VanDerWaalsContact CD1-CD1 3.44Å |
| 955 | E | 41.8 | Very low | 35.2 | Very low | 78 Ų | 78 | 83.6 Ų | 83.6 | 36% | 0.364 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -64.7 | -35.5 | 176.8 | -161.3 | -156 | 132.5 | 0 | 0 | 111.3 | H952 P953 K959 | H952-E955 WeakPolarHBondContact O-CB 3.35Å; H952-E955 PolarHBondContact O-N 2.84Å; P953-E955 PolarHBondContact O-N 2.93Å; E955-K959 WeakPolarHBondContact O-CD 3.33Å; E955-K959 WeakPolarHBondContact O-CG 3.32Å; E955-K959 PolarHBondContact O-N 3.2Å; E955-K959 VanDerWaalsContact O-N 3.16Å; E955-K959 WeakPolarHBondContact OE1-CE 3.32Å; E955-K959 IonicContact OE1-NZ 3.62Å; E955-K959 PolarHBondContact OE1-NZ 2.96Å |
| 956 | I | 40 | Very low | 35.8 | Very low | 64 Ų | 64 | 79.7 Ų | 79.7 | 33% | 0.328 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -72.4 | -44.3 | 174.6 | -39.8 | -179.1 | 0 | 0 | 0 | 109.3 | P953 I954 I958 K959 T960 T1168 | P953-I956 WeakPolarHBondContact O-CA 3.35Å; P953-I956 WeakPolarHBondContact O-CB 3.17Å; P953-I956 PolarHBondContact O-N 3.47Å; I954-I956 VanDerWaalsContact C-N 3.27Å; I954-I956 PolarHBondContact O-N 3.49Å; I956-I958 VanDerWaalsContact C-N 3.27Å; I956-I958 PolarHBondContact O-N 3.48Å; I956-K959 CarbonylContact O-C 3.53Å; I956-K959 WeakPolarHBondContact O-CA 3.37Å; I956-K959 WeakPolarHBondContact O-CB 3.25Å; I956-K959 PolarHBondContact O-N 3.33Å; I956-T960 PolarHBondContact O-N 3.21Å; I956-T960 PolarHBondContact O-OG1 3.35Å; I956-T1168 HydrophobicContact CB-CG2 3.83Å; I956-T1168 HydrophobicContact CG2-CG2 3.46Å; I956-T1168 VanDerWaalsContact CG2-CG2 3.46Å |
| 957 | S | 36.4 | Very low | 36.3 | Very low | 7 Ų | 7 | 77.2 Ų | 77.2 | 5% | 0.049 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -61.3 | -36.4 | 179 | -38.7 | 0 | 0 | 0 | 0 | 112.2 | P953 I954 T960 Y961 S1164 A1165 T1168 | P953-S957 PolarHBondContact O-N 2.93Å; P953-S957 PolarHBondContact O-OG 2.9Å; I954-S957 PolarHBondContact O-N 3.45Å; S957-T960 WeakPolarHBondContact CA-OG1 3.11Å; S957-T960 PolarHBondContact O-OG1 2.79Å; S957-T960 VanDerWaalsContact O-OG1 3.04Å; S957-Y961 WeakPolarHBondContact O-CB 3.33Å; S957-Y961 PolarHBondContact O-N 3.01Å; S957-S1164 WeakPolarHBondContact CA-O 3.22Å; S957-S1164 WeakPolarHBondContact CB-O 3.47Å; S957-S1164 WeakPolarHBondContact O-CB 3.45Å; S957-S1164 PolarHBondContact O-OG 2.88Å; S957-S1164 PolarHBondContact OG-O 3.4Å; S957-A1165 WeakPolarHBondContact OG-CA 3.37Å; S957-T1168 PolarHBondContact OG-OG1 2.91Å |
| 958 | I | 38.8 | Very low | 37 | Very low | 84 Ų | 84 | 76.4 Ų | 76.4 | 43% | 0.431 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -67 | -38.8 | 171 | -70.1 | 168.1 | 0 | 0 | 0 | 110.6 | I954 I956 Y961 L962 | I954-I958 HydrophobicContact CG2-CD1 3.81Å; I954-I958 HydrophobicContact CG2-CG1 4.35Å; I954-I958 WeakPolarHBondContact O-CB 3.25Å; I954-I958 VanDerWaalsContact O-CG1 3.26Å; I954-I958 WeakPolarHBondContact O-CG1 3.37Å; I954-I958 PolarHBondContact O-N 3.43Å; I956-I958 VanDerWaalsContact C-N 3.27Å; I956-I958 PolarHBondContact O-N 3.48Å; I958-Y961 PolarHBondContact O-N 2.74Å; I958-L962 WeakPolarHBondContact O-CB 3.25Å; I958-L962 PolarHBondContact O-N 3.42Å |
| 959 | K | 42.6 | Very low | 37.4 | Very low | 103 Ų | 103 | 73.7 Ų | 73.7 | 45% | 0.448 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -66.7 | -36.9 | 176.5 | -78 | 163.7 | 170.9 | 166.3 | 0 | 113.4 | E955 I956 S963 | E955-K959 WeakPolarHBondContact O-CD 3.33Å; E955-K959 WeakPolarHBondContact O-CG 3.32Å; E955-K959 PolarHBondContact O-N 3.2Å; E955-K959 VanDerWaalsContact O-N 3.16Å; E955-K959 WeakPolarHBondContact OE1-CE 3.32Å; E955-K959 IonicContact OE1-NZ 3.62Å; E955-K959 PolarHBondContact OE1-NZ 2.96Å; I956-K959 CarbonylContact O-C 3.53Å; I956-K959 WeakPolarHBondContact O-CA 3.37Å; I956-K959 WeakPolarHBondContact O-CB 3.25Å; I956-K959 PolarHBondContact O-N 3.33Å; K959-S963 PolarHBondContact O-N 2.95Å; K959-S963 VanDerWaalsContact O-N 3.16Å; K959-S963 PolarHBondContact O-OG 3.47Å |
| 960 | T | 38.2 | Very low | 37.6 | Very low | 36 Ų | 36 | 75.8 Ų | 75.8 | 22% | 0.221 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -68 | -45.9 | 171.9 | 36.1 | 0 | 0 | 0 | 0 | 111.2 | I956 S957 L962 S963 Y964 E1167 T1168 | I956-T960 PolarHBondContact O-N 3.21Å; I956-T960 PolarHBondContact O-OG1 3.35Å; S957-T960 WeakPolarHBondContact CA-OG1 3.11Å; S957-T960 PolarHBondContact O-OG1 2.79Å; S957-T960 VanDerWaalsContact O-OG1 3.04Å; T960-L962 VanDerWaalsContact C-N 3.31Å; T960-L962 PolarHBondContact O-N 3.23Å; T960-S963 WeakPolarHBondContact O-CA 3.46Å; T960-S963 WeakPolarHBondContact O-CB 3.44Å; T960-S963 PolarHBondContact O-N 2.84Å; T960-Y964 PolarHBondContact O-N 3.02Å; T960-E1167 WeakPolarHBondContact CB-OE2 3.49Å; T960-E1167 WeakPolarHBondContact CG2-OE2 3.39Å; T960-T1168 HydrophobicContact CG2-CG2 3.93Å |
| 961 | Y | 35.8 | Very low | 37.8 | Very low | 71 Ų | 71 | 73.2 Ų | 73.2 | 28% | 0.278 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -56.9 | -44.1 | 173.4 | -160.8 | -71.2 | 0 | 0 | 0 | 111.9 | S957 I958 S963 Y964 A965 L1157 I1160 L1161 | S957-Y961 WeakPolarHBondContact O-CB 3.33Å; S957-Y961 PolarHBondContact O-N 3.01Å; I958-Y961 PolarHBondContact O-N 2.74Å; Y961-S963 PolarHBondContact O-N 3.42Å; Y961-Y964 PolarHBondContact O-N 2.78Å; Y961-A965 VanDerWaalsContact O-CB 3.27Å; Y961-A965 WeakPolarHBondContact O-CB 3.34Å; Y961-A965 PolarHBondContact O-N 3.12Å; Y961-L1157 WeakPolarHBondContact OH-CD1 3.35Å; Y961-I1160 HydrophobicContact CD2-CG2 3.75Å; Y961-I1160 HydrophobicContact CE2-CB 3.94Å; Y961-I1160 HydrophobicContact CE2-CG2 3.39Å; Y961-L1161 HydrophobicContact CD2-CD2 4.27Å; Y961-L1161 HydrophobicContact CE2-CD2 4.4Å |
| 962 | L | 38.7 | Very low | 37.9 | Very low | 85 Ų | 85 | 73.2 Ų | 73.2 | 45% | 0.445 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -69.6 | -6.8 | 176.4 | -154.6 | 89.3 | 0 | 0 | 0 | 113.4 | I958 T960 K966 | I958-L962 WeakPolarHBondContact O-CB 3.25Å; I958-L962 PolarHBondContact O-N 3.42Å; T960-L962 VanDerWaalsContact C-N 3.31Å; T960-L962 PolarHBondContact O-N 3.23Å; L962-K966 VanDerWaalsContact CD2-NZ 3.26Å; L962-K966 VanDerWaalsContact CG-NZ 3.32Å; L962-K966 WeakPolarHBondContact O-CD 3.31Å; L962-K966 VanDerWaalsContact O-CE 3.22Å; L962-K966 WeakPolarHBondContact O-CE 3.45Å; L962-K966 WeakPolarHBondContact O-CG 3.3Å; L962-K966 PolarHBondContact O-NZ 3.37Å |
| 963 | S | 39.5 | Very low | 37.8 | Very low | 63 Ų | 63 | 78.3 Ų | 78.3 | 44% | 0.441 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -98.2 | -48.2 | 173.7 | -59.6 | 0 | 0 | 0 | 0 | 110.6 | K959 T960 Y961 A965 K966 L967 | K959-S963 PolarHBondContact O-N 2.95Å; K959-S963 VanDerWaalsContact O-N 3.16Å; K959-S963 PolarHBondContact O-OG 3.47Å; T960-S963 WeakPolarHBondContact O-CA 3.46Å; T960-S963 WeakPolarHBondContact O-CB 3.44Å; T960-S963 PolarHBondContact O-N 2.84Å; Y961-S963 PolarHBondContact O-N 3.42Å; S963-A965 PolarHBondContact O-N 3.31Å; S963-K966 PolarHBondContact O-N 2.89Å; S963-L967 PolarHBondContact O-N 3Å |
| 964 | Y | 34.5 | Very low | 37.5 | Very low | 152 Ų | 152 | 80.7 Ų | 80.7 | 60% | 0.596 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -59.9 | -47.4 | 176.5 | -164.5 | -94.4 | 0 | 0 | 0 | 112.1 | T960 Y961 K966 L967 V968 | T960-Y964 PolarHBondContact O-N 3.02Å; Y961-Y964 PolarHBondContact O-N 2.78Å; Y964-K966 PolarHBondContact O-N 3.37Å; Y964-K966 VanDerWaalsContact O-N 3.14Å; Y964-L967 PolarHBondContact O-N 3.34Å; Y964-V968 HydrophobicContact CD1-CG2 4.48Å; Y964-V968 HydrophobicContact CE1-CG2 4.35Å; Y964-V968 PolarHBondContact O-N 3.43Å |
| 965 | A | 37.6 | Very low | 37.4 | Very low | 38 Ų | 38 | 80.7 Ų | 80.7 | 31% | 0.314 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -57.9 | -30.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y961 S963 V969 | Y961-A965 VanDerWaalsContact O-CB 3.27Å; Y961-A965 WeakPolarHBondContact O-CB 3.34Å; Y961-A965 PolarHBondContact O-N 3.12Å; S963-A965 PolarHBondContact O-N 3.31Å; A965-V969 VanDerWaalsContact O-CG2 3.31Å; A965-V969 WeakPolarHBondContact O-CG2 3.2Å; A965-V969 PolarHBondContact O-N 3.49Å |
| 966 | K | 38.7 | Very low | 37 | Very low | 59 Ų | 59 | 83.4 Ų | 83.4 | 26% | 0.257 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -83 | -28.4 | -179.2 | -67 | -176.4 | -163.5 | 120.2 | 0 | 113.3 | Q848 L962 S963 Y964 V968 V969 F970 | Q848-K966 HydrophobicContact CB-CD 3.94Å; Q848-K966 VanDerWaalsContact CD-CD 3.4Å; Q848-K966 HydrophobicContact CG-CD 4.2Å; L962-K966 VanDerWaalsContact CD2-NZ 3.26Å; L962-K966 VanDerWaalsContact CG-NZ 3.32Å; L962-K966 WeakPolarHBondContact O-CD 3.31Å; L962-K966 VanDerWaalsContact O-CE 3.22Å; L962-K966 WeakPolarHBondContact O-CE 3.45Å; L962-K966 WeakPolarHBondContact O-CG 3.3Å; L962-K966 PolarHBondContact O-NZ 3.37Å; S963-K966 PolarHBondContact O-N 2.89Å; Y964-K966 PolarHBondContact O-N 3.37Å; Y964-K966 VanDerWaalsContact O-N 3.14Å; K966-V968 VanDerWaalsContact C-N 3.31Å; K966-V969 PolarHBondContact O-N 2.96Å; K966-F970 WeakPolarHBondContact O-CB 3.49Å; K966-F970 PolarHBondContact O-N 2.84Å |
| 967 | L | 37.7 | Very low | 36.7 | Very low | 109 Ų | 109 | 85 Ų | 85 | 57% | 0.571 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -65 | -40.1 | 169.3 | -171.2 | 133.3 | 0 | 0 | 0 | 110.6 | S963 Y964 F970 L971 | S963-L967 PolarHBondContact O-N 3Å; Y964-L967 PolarHBondContact O-N 3.34Å; L967-F970 PolarHBondContact O-N 2.85Å; L967-L971 HydrophobicContact CD2-CD1 3.87Å; L967-L971 WeakPolarHBondContact O-CG 3.2Å; L967-L971 PolarHBondContact O-N 3.3Å |
| 968 | V | 37.5 | Very low | 36.4 | Very low | 42 Ų | 42 | 90.8 Ų | 90.8 | 26% | 0.255 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -64.1 | -49 | 172.9 | 178.4 | 0 | 0 | 0 | 0 | 111.5 | Y964 K966 F970 L971 F972 | Y964-V968 HydrophobicContact CD1-CG2 4.48Å; Y964-V968 HydrophobicContact CE1-CG2 4.35Å; Y964-V968 PolarHBondContact O-N 3.43Å; K966-V968 VanDerWaalsContact C-N 3.31Å; V968-F970 VanDerWaalsContact C-N 3.3Å; V968-F970 PolarHBondContact O-N 3.48Å; V968-L971 PolarHBondContact O-N 3Å; V968-F972 HydrophobicContact CG1-CD2 3.93Å; V968-F972 HydrophobicContact CG1-CE2 4.07Å; V968-F972 WeakPolarHBondContact O-CD2 3.2Å; V968-F972 PolarHBondContact O-N 3.36Å |
| 969 | V | 38.8 | Very low | 36.5 | Very low | 73 Ų | 73 | 94.3 Ų | 94.3 | 44% | 0.442 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.1 | -32.5 | 177.4 | 168.6 | 0 | 0 | 0 | 0 | 112.6 | A965 K966 F972 R973 | A965-V969 VanDerWaalsContact O-CG2 3.31Å; A965-V969 WeakPolarHBondContact O-CG2 3.2Å; A965-V969 PolarHBondContact O-N 3.49Å; K966-V969 PolarHBondContact O-N 2.96Å; V969-F972 PolarHBondContact O-N 3.11Å; V969-R973 WeakPolarHBondContact O-CB 3.44Å; V969-R973 WeakPolarHBondContact O-CG 3.39Å; V969-R973 PolarHBondContact O-N 3.21Å |
| 970 | F | 36.2 | Very low | 35.8 | Very low | 127 Ų | 127 | 96.3 Ų | 96.3 | 56% | 0.557 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -66.3 | -44.8 | 174.3 | -176.8 | -116.6 | 0 | 0 | 0 | 111.3 | K966 L967 V968 F972 R973 L974 | K966-F970 WeakPolarHBondContact O-CB 3.49Å; K966-F970 PolarHBondContact O-N 2.84Å; L967-F970 PolarHBondContact O-N 2.85Å; V968-F970 VanDerWaalsContact C-N 3.3Å; V968-F970 PolarHBondContact O-N 3.48Å; F970-F972 PolarHBondContact O-N 3.26Å; F970-R973 PolarHBondContact O-N 2.92Å; F970-R973 VanDerWaalsContact O-N 3.1Å; F970-L974 HydrophobicContact CD1-CD1 3.8Å; F970-L974 HydrophobicContact CD2-CG 4.46Å; F970-L974 HydrophobicContact CE1-CD1 3.51Å; F970-L974 HydrophobicContact CE1-CG 4.39Å; F970-L974 HydrophobicContact CE2-CD1 4.25Å; F970-L974 HydrophobicContact CE2-CD2 4.39Å; F970-L974 HydrophobicContact CE2-CG 4.31Å; F970-L974 HydrophobicContact CG-CD1 4.31Å; F970-L974 HydrophobicContact CZ-CD1 3.76Å; F970-L974 HydrophobicContact CZ-CD2 4.38Å; F970-L974 HydrophobicContact CZ-CG 4.28Å; F970-L974 WeakPolarHBondContact O-CG 2.96Å; F970-L974 PolarHBondContact O-N 2.86Å |
| 971 | L | 38 | Very low | 35.3 | Very low | 90 Ų | 90 | 102.1 Ų | 102.1 | 47% | 0.471 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.6 | -39.8 | 172.9 | -69.8 | 167.5 | 0 | 0 | 0 | 112.3 | L967 V968 R973 | L967-L971 HydrophobicContact CD2-CD1 3.87Å; L967-L971 WeakPolarHBondContact O-CG 3.2Å; L967-L971 PolarHBondContact O-N 3.3Å; V968-L971 PolarHBondContact O-N 3Å; L971-R973 VanDerWaalsContact C-N 3.25Å; L971-R973 PolarHBondContact O-N 3.39Å |
| 972 | F | 35.8 | Very low | 35.4 | Very low | 100 Ų | 100 | 105.4 Ų | 105.4 | 44% | 0.439 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -63.8 | -24.7 | 172.4 | -97.2 | -81.9 | 0 | 0 | 0 | 114 | V968 V969 F970 | V968-F972 HydrophobicContact CG1-CD2 3.93Å; V968-F972 HydrophobicContact CG1-CE2 4.07Å; V968-F972 WeakPolarHBondContact O-CD2 3.2Å; V968-F972 PolarHBondContact O-N 3.36Å; V969-F972 PolarHBondContact O-N 3.11Å; F970-F972 PolarHBondContact O-N 3.26Å |
| 973 | R | 34.6 | Very low | 34.8 | Very low | 189 Ų | 189 | 111.4 Ų | 111.4 | 71% | 0.713 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -99.5 | -14 | -179.2 | -77.2 | -178.3 | 166.8 | -174.9 | -5.7 | 114.7 | V969 F970 L971 G975 | V969-R973 WeakPolarHBondContact O-CB 3.44Å; V969-R973 WeakPolarHBondContact O-CG 3.39Å; V969-R973 PolarHBondContact O-N 3.21Å; F970-R973 PolarHBondContact O-N 2.92Å; F970-R973 VanDerWaalsContact O-N 3.1Å; L971-R973 VanDerWaalsContact C-N 3.25Å; L971-R973 PolarHBondContact O-N 3.39Å; R973-G975 VanDerWaalsContact C-N 3.3Å; R973-G975 PolarHBondContact O-N 2.85Å |
| 974 | L | 32.9 | Very low | 34.3 | Very low | 91 Ų | 91 | 117 Ų | 117 | 48% | 0.476 | 59% | 0.588 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.6 | 0.6 | 178.7 | -81.7 | 177.8 | 0 | 0 | 0 | 115 | F970 L976 | F970-L974 HydrophobicContact CD1-CD1 3.8Å; F970-L974 HydrophobicContact CD2-CG 4.46Å; F970-L974 HydrophobicContact CE1-CD1 3.51Å; F970-L974 HydrophobicContact CE1-CG 4.39Å; F970-L974 HydrophobicContact CE2-CD1 4.25Å; F970-L974 HydrophobicContact CE2-CD2 4.39Å; F970-L974 HydrophobicContact CE2-CG 4.31Å; F970-L974 HydrophobicContact CG-CD1 4.31Å; F970-L974 HydrophobicContact CZ-CD1 3.76Å; F970-L974 HydrophobicContact CZ-CD2 4.38Å; F970-L974 HydrophobicContact CZ-CG 4.28Å; F970-L974 WeakPolarHBondContact O-CG 2.96Å; F970-L974 PolarHBondContact O-N 2.86Å; L974-L976 VanDerWaalsContact C-N 3.25Å; L974-L976 HydrophobicContact CB-CD1 4.3Å; L974-L976 HydrophobicContact CB-CG 4.35Å; L974-L976 PolarHBondContact O-N 3.19Å |
| 975 | G | 30.5 | Very low | 33.8 | Very low | 33 Ų | 33 | 115.9 Ų | 115.9 | 34% | 0.34 | 59% | 0.592 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 69.5 | 17.6 | 176 | 0 | 0 | 0 | 0 | 0 | 114.9 | R973 L977 | R973-G975 VanDerWaalsContact C-N 3.3Å; R973-G975 PolarHBondContact O-N 2.85Å; G975-L977 CarbonylContact C-O 3.5Å; G975-L977 PolarHBondContact O-N 3.15Å |
| 976 | L | 34.2 | Very low | 33.2 | Very low | 135 Ų | 135 | 120 Ų | 120 | 71% | 0.707 | 61% | 0.609 | S | S | * | * | trans | -79.1 | 10 | 178.3 | -66.2 | 171 | 0 | 0 | 0 | 113.7 | L974 | L974-L976 VanDerWaalsContact C-N 3.25Å; L974-L976 HydrophobicContact CB-CD1 4.3Å; L974-L976 HydrophobicContact CB-CG 4.35Å; L974-L976 PolarHBondContact O-N 3.19Å | ||
| 977 | L | 33.5 | Very low | 32.5 | Very low | 97 Ų | 97 | 123.6 Ų | 123.6 | 51% | 0.508 | 63% | 0.631 | S | S | . | * | S | Bend | trans | -125.6 | 143.7 | 160.2 | -72.8 | 170.8 | 0 | 0 | 0 | 107.3 | G975 Q979 | G975-L977 CarbonylContact C-O 3.5Å; G975-L977 PolarHBondContact O-N 3.15Å; L977-Q979 PolarHBondContact O-N 2.86Å |
| 978 | P | 29.7 | Very low | 31.9 | Very low | 129 Ų | 129 | 126.9 Ų | 126.9 | 84% | 0.838 | 64% | 0.641 | S | S | * | * | trans | -66.9 | 127.1 | -158.6 | 24.3 | -34.6 | 0 | 0 | 0 | 114.1 | ||||
| 979 | Q | 41.4 | Very low | 31.2 | Very low | 159 Ų | 159 | 133.7 Ų | 133.7 | 74% | 0.743 | 67% | 0.667 | S | S | * | * | trans | -92.9 | 158 | 164.1 | -62.9 | 174 | -16.8 | 0 | 0 | 109.8 | L977 | L977-Q979 PolarHBondContact O-N 2.86Š| ||
| 980 | T | 28.1 | Very low | 30.4 | Very low | 145 Ų | 145 | 134.6 Ų | 134.6 | 89% | 0.89 | 68% | 0.677 | S | S | * | * | trans | -134.6 | 159.5 | 162.3 | 47.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 981 | D | 28.5 | Very low | 29.8 | Very low | 158 Ų | 158 | 134.5 Ų | 134.5 | 85% | 0.845 | 69% | 0.687 | S | S | * | * | trans | -99 | 178.3 | -140.4 | -123.1 | -40.8 | 0 | 0 | 0 | 116.9 | ||||
| 982 | E | 37.8 | Very low | 29.2 | Very low | 139 Ų | 139 | 137.3 Ų | 137.3 | 65% | 0.65 | 70% | 0.703 | S | S | * | * | trans | -51.6 | 165.5 | -175.9 | -50.2 | 178.9 | 144.5 | 0 | 0 | 117.7 | ||||
| 983 | R | 25 | Very low | 28.9 | Very low | 212 Ų | 212 | 138.2 Ų | 138.2 | 80% | 0.8 | 72% | 0.722 | S | S | * | * | trans | 87.9 | 91.8 | 156.6 | -55.8 | 167 | -159.4 | -179.2 | 6.5 | 118.3 | ||||
| 984 | L | 30.1 | Very low | 28.4 | Very low | 179 Ų | 179 | 138.8 Ų | 138.8 | 94% | 0.937 | 73% | 0.729 | S | S | * | * | trans | -135.7 | 141.4 | 136.9 | -100.6 | 169.5 | 0 | 0 | 0 | 109.5 | ||||
| 985 | N | 23.9 | Very low | 28.1 | Very low | 129 Ų | 129 | 144.8 Ų | 144.8 | 69% | 0.69 | 75% | 0.747 | S | S | * | * | trans | -91.6 | 156.4 | -168.9 | -93.8 | 51.3 | 0 | 0 | 0 | 113.6 | ||||
| 986 | D | 24.5 | Very low | 27.8 | Very low | 124 Ų | 124 | 154.7 Ų | 154.7 | 66% | 0.663 | 77% | 0.774 | S | S | * | * | trans | 41.7 | 126.3 | 138.3 | -57.5 | -41.9 | 0 | 0 | 0 | 121.7 | ||||
| 987 | N | 24.1 | Very low | 27.6 | Very low | 136 Ų | 136 | 153.4 Ų | 153.4 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | trans | 64.5 | 106.6 | 141.5 | -72.7 | -58.4 | 0 | 0 | 0 | 120.6 | ||||
| 988 | K | 24.2 | Very low | 27.2 | Very low | 178 Ų | 178 | 157 Ų | 157 | 77% | 0.774 | 79% | 0.791 | S | S | * | * | trans | 78.7 | 119.4 | 131.4 | -76.3 | -174.8 | 177.6 | 179.8 | 0 | 120.7 | ||||
| 989 | F | 23.9 | Very low | 27 | Very low | 184 Ų | 184 | 155.5 Ų | 155.5 | 81% | 0.807 | 78% | 0.784 | S | S | * | * | trans | 76.9 | 96.8 | 143.2 | -83 | -81.1 | 0 | 0 | 0 | 120.9 | ||||
| 990 | S | 22.3 | Very low | 26.4 | Very low | 92 Ų | 92 | 153.5 Ų | 153.5 | 64% | 0.643 | 78% | 0.783 | S | S | * | * | 75.2 | 130.1 | 121.2 | 60.4 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 991 | T | 23.6 | Very low | 26.4 | Very low | 125 Ų | 125 | 153.3 Ų | 153.3 | 77% | 0.767 | 78% | 0.782 | S | S | * | * | trans | 77.3 | 128.5 | 143.7 | 45.2 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 992 | D | 25 | Very low | 26.6 | Very low | 150 Ų | 150 | 150.9 Ų | 150.9 | 80% | 0.802 | 77% | 0.768 | S | S | * | * | trans | 83 | 133.9 | 152.4 | -62.9 | -6.6 | 0 | 0 | 0 | 123.3 | ||||
| 993 | S | 28.1 | Very low | 26.3 | Very low | 119 Ų | 119 | 151.8 Ų | 151.8 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | trans | 80.7 | 51.7 | 157.8 | 71.9 | 0 | 0 | 0 | 0 | 121.3 | Y995 | S993-Y995 PolarHBondContact O-N 2.97Š| ||
| 994 | F | 24.4 | Very low | 26.7 | Very low | 200 Ų | 200 | 147.3 Ų | 147.3 | 88% | 0.877 | 78% | 0.775 | S | S | * | * | trans | -81.9 | 104.7 | 158.3 | -96.5 | -85.2 | 0 | 0 | 0 | 112.2 | ||||
| 995 | Y | 27.4 | Very low | 27 | Very low | 218 Ų | 218 | 144.9 Ų | 144.9 | 86% | 0.855 | 75% | 0.754 | S | S | * | * | trans | -149.8 | 79.6 | 163.3 | -96.5 | -67.3 | 0 | 0 | 0 | 111.9 | S993 | S993-Y995 PolarHBondContact O-N 2.97Š| ||
| 996 | R | 24.3 | Very low | 27.7 | Very low | 240 Ų | 240 | 143.2 Ų | 143.2 | 91% | 0.906 | 75% | 0.745 | S | S | * | * | trans | 163.1 | 85.6 | 151 | -93.8 | 171.4 | -178.6 | -129.9 | 4.4 | 112.7 | ||||
| 997 | V | 29.4 | Very low | 28.3 | Very low | 109 Ų | 109 | 140.7 Ų | 140.7 | 66% | 0.661 | 74% | 0.737 | S | S | * | * | trans | -148.2 | 108.2 | 143.9 | -176 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 998 | N | 25.7 | Very low | 29.1 | Very low | 171 Ų | 171 | 136.1 Ų | 136.1 | 91% | 0.914 | 72% | 0.716 | S | S | * | * | trans | -108 | 82.4 | 170.8 | -80.5 | 19.7 | 0 | 0 | 0 | 109.2 | ||||
| 999 | S | 25.6 | Very low | 29.9 | Very low | 98 Ų | 98 | 132.1 Ų | 132.1 | 69% | 0.685 | 70% | 0.701 | S | S | * | * | trans | -161.9 | 21.7 | 174 | 62.1 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1000 | T | 28 | Very low | 30.8 | Very low | 118 Ų | 118 | 126.8 Ų | 126.8 | 72% | 0.724 | 68% | 0.681 | S | S | * | * | trans | -142.6 | 78.2 | 174.8 | 50.7 | 0 | 0 | 0 | 0 | 111.4 | L1002 | T1000-L1002 PolarHBondContact O-N 2.97Š| ||
| 1001 | V | 29.4 | Very low | 31.7 | Very low | 141 Ų | 141 | 126.4 Ų | 126.4 | 86% | 0.855 | 68% | 0.675 | S | S | * | * | trans | -82.2 | 89.3 | 171.1 | -179.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1002 | L | 32 | Very low | 32.5 | Very low | 106 Ų | 106 | 125.1 Ų | 125.1 | 56% | 0.555 | 66% | 0.66 | S | S | * | * | trans | 170.2 | 110.6 | 154.2 | -95.8 | 165.8 | 0 | 0 | 0 | 107.9 | T1000 | T1000-L1002 PolarHBondContact O-N 2.97Š| ||
| 1003 | L | 32.2 | Very low | 33.3 | Very low | 159 Ų | 159 | 119.7 Ų | 119.7 | 83% | 0.832 | 63% | 0.632 | S | S | * | * | trans | -88.3 | 149.1 | 172.7 | -78.9 | 164.3 | 0 | 0 | 0 | 110.3 | ||||
| 1004 | P | 33.5 | Very low | 34 | Very low | 117 Ų | 117 | 117.3 Ų | 117.3 | 76% | 0.76 | 61% | 0.609 | S | S | * | * | trans | -63.6 | 143.8 | 179 | 26.2 | -34 | 0 | 0 | 0 | 112 | N1006 | P1004-N1006 PolarHBondContact O-N 2.98Š| ||
| 1005 | Y | 35.4 | Very low | 34.8 | Very low | 129 Ų | 129 | 110.1 Ų | 110.1 | 51% | 0.506 | 58% | 0.584 | S | S | . | * | trans | -69.5 | 108.4 | -175.1 | -174.2 | -85.6 | 0 | 0 | 0 | 111.6 | ||||
| 1006 | N | 38.3 | Very low | 35.5 | Very low | 93 Ų | 93 | 105.2 Ų | 105.2 | 50% | 0.497 | 57% | 0.569 | S | S | . | * | trans | -81.1 | 117.6 | 173.6 | -178.6 | 5.6 | 0 | 0 | 0 | 110.5 | P1004 S1008 M1009 | P1004-N1006 PolarHBondContact O-N 2.98Å; N1006-S1008 PolarHBondContact ND2-OG 3.22Å; N1006-S1008 PolarHBondContact O-N 3.34Å; N1006-S1008 WeakPolarHBondContact OD1-CB 3.43Å; N1006-S1008 PolarHBondContact OD1-N 2.96Å; N1006-S1008 PolarHBondContact OD1-OG 3.05Å; N1006-M1009 PolarHBondContact O-N 2.83Å | ||
| 1007 | S | 38 | Very low | 36 | Very low | 71 Ų | 71 | 99.5 Ų | 99.5 | 50% | 0.497 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -66.8 | -18.1 | 177.7 | 55.6 | 0 | 0 | 0 | 0 | 113.8 | M1009 T1011 | S1007-M1009 PolarHBondContact O-N 3.1Å; S1007-T1011 PolarHBondContact O-N 2.76Å; S1007-T1011 PolarHBondContact O-OG1 2.75Å |
| 1008 | S | 41.4 | Very low | 36.3 | Very low | 41 Ų | 41 | 99.8 Ų | 99.8 | 29% | 0.287 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -59.4 | -46.3 | 173.6 | 90.1 | 0 | 0 | 0 | 0 | 110.5 | N1006 L1010 T1011 E1012 | N1006-S1008 PolarHBondContact ND2-OG 3.22Å; N1006-S1008 PolarHBondContact O-N 3.34Å; N1006-S1008 WeakPolarHBondContact OD1-CB 3.43Å; N1006-S1008 PolarHBondContact OD1-N 2.96Å; N1006-S1008 PolarHBondContact OD1-OG 3.05Å; S1008-L1010 VanDerWaalsContact C-N 3.31Å; S1008-L1010 PolarHBondContact O-N 3.42Å; S1008-T1011 CarbonylContact O-C 3.54Å; S1008-T1011 WeakPolarHBondContact O-CA 3.27Å; S1008-T1011 WeakPolarHBondContact O-CB 3.36Å; S1008-T1011 PolarHBondContact O-N 3.04Å; S1008-E1012 WeakPolarHBondContact CB-OE2 3.45Å; S1008-E1012 WeakPolarHBondContact O-CB 3.26Å; S1008-E1012 WeakPolarHBondContact O-CG 3.39Å; S1008-E1012 PolarHBondContact O-N 3.05Å; S1008-E1012 PolarHBondContact OG-OE2 2.85Å |
| 1009 | M | 40.5 | Very low | 36.6 | Very low | 93 Ų | 93 | 96.7 Ų | 96.7 | 46% | 0.458 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -59.6 | -36.2 | -176 | -75.3 | -163 | 75.6 | 0 | 0 | 114.1 | N1006 S1007 T1013 Y1145 | N1006-M1009 PolarHBondContact O-N 2.83Å; S1007-M1009 PolarHBondContact O-N 3.1Å; M1009-T1013 WeakPolarHBondContact O-CB 3.41Å; M1009-T1013 WeakPolarHBondContact O-CG2 3.44Å; M1009-T1013 PolarHBondContact O-N 3.32Å; M1009-T1013 PolarHBondContact O-OG1 3.21Å; M1009-Y1145 HydrophobicContact CE-CD2 4.16Å; M1009-Y1145 HydrophobicContact CE-CE2 4.2Å |
| 1010 | L | 41.9 | Very low | 37 | Very low | 73 Ų | 73 | 97.8 Ų | 97.8 | 38% | 0.382 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -70.3 | -39.5 | 174.4 | -169.8 | 76.1 | 0 | 0 | 0 | 111 | S1008 T1013 I1014 | S1008-L1010 VanDerWaalsContact C-N 3.31Å; S1008-L1010 PolarHBondContact O-N 3.42Å; L1010-T1013 WeakPolarHBondContact CA-OG1 3.33Å; L1010-T1013 PolarHBondContact O-OG1 3.12Å; L1010-T1013 VanDerWaalsContact O-OG1 3.11Å; L1010-I1014 HydrophobicContact CG-CD1 4.15Å; L1010-I1014 WeakPolarHBondContact O-CB 3.34Å; L1010-I1014 WeakPolarHBondContact O-CD1 3.4Å; L1010-I1014 VanDerWaalsContact O-CG1 3.25Å; L1010-I1014 WeakPolarHBondContact O-CG1 3.44Å; L1010-I1014 PolarHBondContact O-N 2.78Å; L1010-I1014 VanDerWaalsContact O-N 3.15Å |
| 1011 | T | 41.7 | Very low | 36.9 | Very low | 84 Ų | 84 | 101.2 Ų | 101.2 | 52% | 0.515 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -70.6 | -42.8 | -179.6 | -47.2 | 0 | 0 | 0 | 0 | 111.3 | S1007 S1008 I1014 S1015 | S1007-T1011 PolarHBondContact O-N 2.76Å; S1007-T1011 PolarHBondContact O-OG1 2.75Å; S1008-T1011 CarbonylContact O-C 3.54Å; S1008-T1011 WeakPolarHBondContact O-CA 3.27Å; S1008-T1011 WeakPolarHBondContact O-CB 3.36Å; S1008-T1011 PolarHBondContact O-N 3.04Å; T1011-I1014 CarbonylContact O-C 3.59Å; T1011-I1014 PolarHBondContact O-N 3.48Å; T1011-S1015 WeakPolarHBondContact O-CB 3.41Å; T1011-S1015 PolarHBondContact O-N 2.83Å; T1011-S1015 PolarHBondContact O-OG 2.77Å |
| 1012 | E | 40 | Very low | 36.9 | Very low | 98 Ų | 98 | 102.1 Ų | 102.1 | 46% | 0.458 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.2 | -45.6 | 175.5 | -72.3 | 171.7 | 106 | 0 | 0 | 111.4 | S1008 I1014 S1015 E1016 | S1008-E1012 WeakPolarHBondContact CB-OE2 3.45Å; S1008-E1012 WeakPolarHBondContact O-CB 3.26Å; S1008-E1012 WeakPolarHBondContact O-CG 3.39Å; S1008-E1012 PolarHBondContact O-N 3.05Å; S1008-E1012 PolarHBondContact OG-OE2 2.85Å; E1012-I1014 PolarHBondContact O-N 3.05Å; E1012-S1015 WeakPolarHBondContact CA-OG 3.4Å; E1012-S1015 PolarHBondContact O-N 2.88Å; E1012-S1015 PolarHBondContact O-OG 3.43Å; E1012-E1016 WeakPolarHBondContact O-CB 3.31Å; E1012-E1016 WeakPolarHBondContact O-CG 3.49Å; E1012-E1016 PolarHBondContact O-N 3.29Å |
| 1013 | T | 43 | Very low | 36.7 | Very low | 36 Ų | 36 | 104.7 Ų | 104.7 | 22% | 0.221 | 54% | 0.541 | C | S | . | . | H | α-helix | trans | -62.7 | -31.2 | 174.4 | 45.5 | 0 | 0 | 0 | 0 | 112.5 | M1009 L1010 L1017 Y1145 | M1009-T1013 WeakPolarHBondContact O-CB 3.41Å; M1009-T1013 WeakPolarHBondContact O-CG2 3.44Å; M1009-T1013 PolarHBondContact O-N 3.32Å; M1009-T1013 PolarHBondContact O-OG1 3.21Å; L1010-T1013 WeakPolarHBondContact CA-OG1 3.33Å; L1010-T1013 PolarHBondContact O-OG1 3.12Å; L1010-T1013 VanDerWaalsContact O-OG1 3.11Å; T1013-L1017 VanDerWaalsContact O-CD1 3.27Å; T1013-L1017 WeakPolarHBondContact O-CD1 3.1Å; T1013-L1017 WeakPolarHBondContact O-CG 3.37Å; T1013-Y1145 HydrophobicContact CG2-CE2 3.75Å; T1013-Y1145 WeakPolarHBondContact CG2-OH 3.42Å |
| 1014 | I | 42.5 | Very low | 36.6 | Very low | 68 Ų | 68 | 102.4 Ų | 102.4 | 35% | 0.349 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -79.8 | -30.8 | 174.8 | -68.6 | 169.7 | 0 | 0 | 0 | 112 | L1010 T1011 E1012 R1018 | L1010-I1014 HydrophobicContact CG-CD1 4.15Å; L1010-I1014 WeakPolarHBondContact O-CB 3.34Å; L1010-I1014 WeakPolarHBondContact O-CD1 3.4Å; L1010-I1014 VanDerWaalsContact O-CG1 3.25Å; L1010-I1014 WeakPolarHBondContact O-CG1 3.44Å; L1010-I1014 PolarHBondContact O-N 2.78Å; L1010-I1014 VanDerWaalsContact O-N 3.15Å; T1011-I1014 CarbonylContact O-C 3.59Å; T1011-I1014 PolarHBondContact O-N 3.48Å; E1012-I1014 PolarHBondContact O-N 3.05Å; I1014-R1018 WeakPolarHBondContact O-CG 3.41Å; I1014-R1018 PolarHBondContact O-N 3.43Å |
| 1015 | S | 40.7 | Very low | 36.2 | Very low | 49 Ų | 49 | 101.8 Ų | 101.8 | 34% | 0.343 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -82.6 | -39.4 | 178.6 | 65.8 | 0 | 0 | 0 | 0 | 113.2 | T1011 E1012 L1017 R1018 C1019 | T1011-S1015 WeakPolarHBondContact O-CB 3.41Å; T1011-S1015 PolarHBondContact O-N 2.83Å; T1011-S1015 PolarHBondContact O-OG 2.77Å; E1012-S1015 WeakPolarHBondContact CA-OG 3.4Å; E1012-S1015 PolarHBondContact O-N 2.88Å; E1012-S1015 PolarHBondContact O-OG 3.43Å; S1015-L1017 PolarHBondContact O-N 3.43Å; S1015-R1018 PolarHBondContact O-N 2.85Å; S1015-C1019 WeakPolarHBondContact O-CB 3.43Å; S1015-C1019 PolarHBondContact O-N 3.01Å; S1015-C1019 PolarHBondContact O-SG 2.74Å |
| 1016 | E | 41.4 | Very low | 35.7 | Very low | 116 Ų | 116 | 102 Ų | 102 | 54% | 0.542 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -54 | -36.2 | 168.9 | -76.7 | -165.4 | 133.7 | 0 | 0 | 111.2 | E1012 R1018 Y1145 | E1012-E1016 WeakPolarHBondContact O-CB 3.31Å; E1012-E1016 WeakPolarHBondContact O-CG 3.49Å; E1012-E1016 PolarHBondContact O-N 3.29Å; E1016-R1018 VanDerWaalsContact C-N 3.32Å; E1016-Y1145 PolarHBondContact OE2-OH 2.88Å |
| 1017 | L | 35.8 | Very low | 35.3 | Very low | 119 Ų | 119 | 105.6 Ų | 105.6 | 62% | 0.623 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | -6.3 | 176.5 | -69.2 | 175.6 | 0 | 0 | 0 | 114.3 | T1013 S1015 | T1013-L1017 VanDerWaalsContact O-CD1 3.27Å; T1013-L1017 WeakPolarHBondContact O-CD1 3.1Å; T1013-L1017 WeakPolarHBondContact O-CG 3.37Å; S1015-L1017 PolarHBondContact O-N 3.43Å |
| 1018 | R | 34.7 | Very low | 34.8 | Very low | 116 Ų | 116 | 108.3 Ų | 108.3 | 44% | 0.438 | 57% | 0.567 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -113.6 | -30.5 | -179.7 | -79.3 | 177.6 | 167.5 | -176.5 | -3.4 | 114.7 | I1014 S1015 E1016 T1020 | I1014-R1018 WeakPolarHBondContact O-CG 3.41Å; I1014-R1018 PolarHBondContact O-N 3.43Å; S1015-R1018 PolarHBondContact O-N 2.85Å; E1016-R1018 VanDerWaalsContact C-N 3.32Å; R1018-T1020 PolarHBondContact O-N 2.85Å |
| 1019 | C | 32.8 | Very low | 34.3 | Very low | 106 Ų | 106 | 113.8 Ų | 113.8 | 72% | 0.716 | 59% | 0.59 | S | S | * | * | trans | -78.9 | 27.5 | -165.6 | -72.5 | 0 | 0 | 0 | 0 | 116.2 | S1015 | S1015-C1019 WeakPolarHBondContact O-CB 3.43Å; S1015-C1019 PolarHBondContact O-N 3.01Å; S1015-C1019 PolarHBondContact O-SG 2.74Å | ||
| 1020 | T | 33.1 | Very low | 33.6 | Very low | 120 Ų | 120 | 115.2 Ų | 115.2 | 74% | 0.736 | 60% | 0.599 | S | S | * | * | trans | -99.9 | 14.3 | -175 | 50.8 | 0 | 0 | 0 | 0 | 115.2 | R1018 | R1018-T1020 PolarHBondContact O-N 2.85Š| ||
| 1021 | R | 27.2 | Very low | 33 | Very low | 191 Ų | 191 | 116.9 Ų | 116.9 | 72% | 0.721 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -144.9 | 107.3 | -178.5 | -74.8 | -166.8 | 174.1 | 175 | -2.7 | 116 | ||
| 1022 | H | 29.1 | Very low | 32.4 | Very low | 160 Ų | 160 | 118.5 Ų | 118.5 | 74% | 0.741 | 61% | 0.614 | S | S | * | * | trans | 70.1 | 148.7 | 158.6 | -47 | -65 | 0 | 0 | 0 | 118.7 | ||||
| 1023 | H | 27.3 | Very low | 32 | Very low | 159 Ų | 159 | 119.7 Ų | 119.7 | 74% | 0.736 | 62% | 0.623 | S | S | * | * | cis | -141.4 | -144.6 | 3.7 | -132.5 | -38.9 | 0 | 0 | 0 | 109.3 | ||||
| 1024 | P | 30.2 | Very low | 31.3 | Very low | 111 Ų | 111 | 124.2 Ų | 124.2 | 72% | 0.721 | 65% | 0.646 | S | S | * | * | cis | -135 | 152.2 | -3.3 | 42.4 | -24.2 | 0 | 0 | 0 | 118.3 | ||||
| 1025 | V | 25.3 | Very low | 30.7 | Very low | 104 Ų | 104 | 128.6 Ų | 128.6 | 63% | 0.63 | 67% | 0.67 | S | S | * | * | 46.4 | 121.5 | 125.1 | -168.7 | 0 | 0 | 0 | 0 | 124 | |||||
| 1026 | D | 25.1 | Very low | 30.2 | Very low | 134 Ų | 134 | 131.6 Ų | 131.6 | 72% | 0.717 | 69% | 0.691 | S | S | * | * | trans | 55.4 | 129.1 | 146.2 | -51.1 | -7.9 | 0 | 0 | 0 | 126.6 | ||||
| 1027 | L | 30.5 | Very low | 29.5 | Very low | 169 Ų | 169 | 134 Ų | 134 | 89% | 0.885 | 71% | 0.708 | S | S | * | * | -176 | 131.9 | 114.3 | -102.4 | 166.6 | 0 | 0 | 0 | 115.4 | |||||
| 1028 | D | 26.4 | Very low | 29.2 | Very low | 127 Ų | 127 | 135.5 Ų | 135.5 | 68% | 0.679 | 72% | 0.716 | S | S | * | * | trans | -77.4 | -175.5 | -159.8 | -59.5 | -55.3 | 0 | 0 | 0 | 121.1 | ||||
| 1029 | M | 30.2 | Very low | 28.9 | Very low | 157 Ų | 157 | 135.2 Ų | 135.2 | 77% | 0.773 | 73% | 0.731 | S | S | * | * | trans | 102 | 134.3 | 148.2 | -61 | -64.4 | -179.6 | 0 | 0 | 118.4 | ||||
| 1030 | N | 27.5 | Very low | 28.6 | Very low | 122 Ų | 122 | 137.8 Ų | 137.8 | 65% | 0.652 | 74% | 0.738 | S | S | * | * | cis | -171.5 | 178.2 | -21.5 | -140.2 | -4.4 | 0 | 0 | 0 | 108.3 | ||||
| 1031 | N | 29.2 | Very low | 28.5 | Very low | 108 Ų | 108 | 138.3 Ų | 138.3 | 58% | 0.578 | 74% | 0.741 | S | S | * | * | cis | -161.5 | 171.6 | -0.1 | -158.2 | -2.8 | 0 | 0 | 0 | 110.7 | ||||
| 1032 | N | 29.2 | Very low | 28.5 | Very low | 118 Ų | 118 | 136 Ų | 136 | 63% | 0.631 | 74% | 0.743 | S | S | * | * | trans | 67.3 | 135.7 | 156.6 | -67.1 | -18.7 | 0 | 0 | 0 | 118 | ||||
| 1033 | N | 31.3 | Very low | 28.4 | Very low | 123 Ų | 123 | 139.6 Ų | 139.6 | 66% | 0.658 | 75% | 0.75 | S | S | * | * | cis | -152.9 | 152.5 | 13.1 | -104.4 | -16 | 0 | 0 | 0 | 112.6 | ||||
| 1034 | N | 27.6 | Very low | 28.6 | Very low | 132 Ų | 132 | 137.2 Ų | 137.2 | 71% | 0.706 | 74% | 0.742 | S | S | * | * | S | Bend | trans | 53.7 | 74.6 | 146.9 | -55.2 | -4.9 | 0 | 0 | 0 | 119.3 | ||
| 1035 | N | 29.9 | Very low | 28.4 | Very low | 159 Ų | 159 | 137.8 Ų | 137.8 | 85% | 0.85 | 74% | 0.744 | S | S | * | * | 175.6 | 131.9 | 100.7 | -84.1 | -10 | 0 | 0 | 0 | 109.8 | N1037 | N1035-N1037 PolarHBondContact O-N 3.43Š| |||
| 1036 | S | 29.4 | Very low | 28.6 | Very low | 112 Ų | 112 | 134.8 Ų | 134.8 | 78% | 0.783 | 73% | 0.727 | S | S | * | * | trans | -70.9 | 117.8 | -172.6 | 50.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 1037 | N | 28 | Very low | 28.9 | Very low | 166 Ų | 166 | 133.4 Ų | 133.4 | 89% | 0.888 | 72% | 0.719 | S | S | * | * | trans | -165.8 | 123 | 159.4 | -95.3 | -21.3 | 0 | 0 | 0 | 108 | N1035 | N1035-N1037 PolarHBondContact O-N 3.43Š| ||
| 1038 | D | 29.2 | Very low | 28.9 | Very low | 151 Ų | 151 | 129 Ų | 129 | 81% | 0.807 | 70% | 0.703 | S | S | * | * | trans | -115.2 | 163.9 | -162.4 | -101.1 | -54.7 | 0 | 0 | 0 | 115.5 | ||||
| 1039 | C | 28.8 | Very low | 29.2 | Very low | 110 Ų | 110 | 126.8 Ų | 126.8 | 74% | 0.743 | 69% | 0.688 | S | S | * | * | trans | 58.1 | 63.9 | 157.4 | -67.6 | 0 | 0 | 0 | 0 | 119.6 | T1041 | C1039-T1041 PolarHBondContact O-N 3.18Š| ||
| 1040 | N | 26.6 | Very low | 29.3 | Very low | 161 Ų | 161 | 124.8 Ų | 124.8 | 86% | 0.861 | 68% | 0.677 | S | S | * | * | trans | -76.4 | 93 | 161 | -105.5 | -58.7 | 0 | 0 | 0 | 112.3 | ||||
| 1041 | T | 29.9 | Very low | 29.6 | Very low | 131 Ų | 131 | 121.9 Ų | 121.9 | 80% | 0.804 | 66% | 0.661 | S | S | * | * | trans | -132.2 | 60.7 | 171.1 | 59.4 | 0 | 0 | 0 | 0 | 113.1 | C1039 | C1039-T1041 PolarHBondContact O-N 3.18Š| ||
| 1042 | N | 27.4 | Very low | 29.7 | Very low | 142 Ų | 142 | 121.8 Ų | 121.8 | 76% | 0.759 | 66% | 0.66 | S | S | * | * | trans | -116.8 | 121 | -179.6 | -93.3 | -41 | 0 | 0 | 0 | 112.9 | ||||
| 1043 | R | 28.3 | Very low | 30 | Very low | 236 Ų | 236 | 123.8 Ų | 123.8 | 89% | 0.891 | 66% | 0.659 | S | S | * | * | trans | 147.4 | 84.8 | 146.3 | -82.6 | 174.3 | -179.1 | -164.5 | 0.7 | 113.7 | ||||
| 1044 | L | 31 | Very low | 29.9 | Very low | 108 Ų | 108 | 121.8 Ų | 121.8 | 57% | 0.565 | 66% | 0.66 | S | S | * | * | trans | -167.2 | 120.6 | 140.7 | -104 | 171.1 | 0 | 0 | 0 | 106 | E1049 | L1044-E1049 HydrophobicContact CD2-CB 4.48Š| ||
| 1045 | T | 25.4 | Very low | 30.1 | Very low | 123 Ų | 123 | 117.7 Ų | 117.7 | 76% | 0.755 | 64% | 0.642 | S | S | * | * | trans | -124.8 | 37.7 | -146 | 46.3 | 0 | 0 | 0 | 0 | 115.1 | E1049 | T1045-E1049 VanDerWaalsContact C-OE2 3.32Å; T1045-E1049 PolarHBondContact N-OE2 3.39Å | ||
| 1046 | S | 30.6 | Very low | 29.9 | Very low | 41 Ų | 41 | 116.5 Ų | 116.5 | 29% | 0.287 | 64% | 0.635 | S | S | . | * | trans | -157.4 | 149.7 | 160.1 | 66.6 | 0 | 0 | 0 | 0 | 112.5 | S1048 E1049 H1050 | S1046-S1048 WeakPolarHBondContact CB-OG 3.22Å; S1046-S1048 PolarHBondContact O-N 2.96Å; S1046-S1048 PolarHBondContact OG-OG 2.8Å; S1046-E1049 PolarHBondContact N-OE2 3.06Å; S1046-E1049 PolarHBondContact O-N 3.22Å; S1046-E1049 VanDerWaalsContact O-N 3.15Å; S1046-E1049 WeakPolarHBondContact OG-CB 3.16Å; S1046-E1049 WeakPolarHBondContact OG-CG 3.25Å; S1046-E1049 PolarHBondContact OG-N 2.94Å; S1046-E1049 PolarHBondContact OG-OE2 2.83Å; S1046-H1050 PolarHBondContact O-N 3.31Å | ||
| 1047 | L | 30.2 | Very low | 29.8 | Very low | 105 Ų | 105 | 118 Ų | 118 | 55% | 0.55 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -64.8 | -27.9 | 172.4 | -172.4 | 61.3 | 0 | 0 | 0 | 111.4 | H1050 I1051 | L1047-H1050 PolarHBondContact O-N 3.33Å; L1047-I1051 HydrophobicContact CG-CD1 4.11Å; L1047-I1051 VanDerWaalsContact O-CG1 3.31Å; L1047-I1051 WeakPolarHBondContact O-CG1 3.45Å; L1047-I1051 PolarHBondContact O-N 3.49Å |
| 1048 | S | 30.5 | Very low | 29.7 | Very low | 77 Ų | 77 | 114.5 Ų | 114.5 | 54% | 0.538 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -61.2 | -40.6 | 170.1 | 31.6 | 0 | 0 | 0 | 0 | 113.2 | S1046 I1051 L1052 | S1046-S1048 WeakPolarHBondContact CB-OG 3.22Å; S1046-S1048 PolarHBondContact O-N 2.96Å; S1046-S1048 PolarHBondContact OG-OG 2.8Å; S1048-I1051 PolarHBondContact O-N 2.94Å; S1048-L1052 WeakPolarHBondContact O-CB 3.47Å; S1048-L1052 PolarHBondContact O-N 2.86Å |
| 1049 | E | 33.4 | Very low | 29.6 | Very low | 80 Ų | 80 | 113.4 Ų | 113.4 | 37% | 0.374 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -67.8 | -41.7 | 175.9 | -77.9 | 162.6 | 134.1 | 0 | 0 | 111.9 | L1044 T1045 S1046 I1051 L1052 Y1053 | L1044-E1049 HydrophobicContact CD2-CB 4.48Å; T1045-E1049 VanDerWaalsContact C-OE2 3.32Å; T1045-E1049 PolarHBondContact N-OE2 3.39Å; S1046-E1049 PolarHBondContact N-OE2 3.06Å; S1046-E1049 PolarHBondContact O-N 3.22Å; S1046-E1049 VanDerWaalsContact O-N 3.15Å; S1046-E1049 WeakPolarHBondContact OG-CB 3.16Å; S1046-E1049 WeakPolarHBondContact OG-CG 3.25Å; S1046-E1049 PolarHBondContact OG-N 2.94Å; S1046-E1049 PolarHBondContact OG-OE2 2.83Å; E1049-I1051 VanDerWaalsContact C-N 3.31Å; E1049-I1051 PolarHBondContact O-N 3.05Å; E1049-L1052 PolarHBondContact O-N 3.19Å; E1049-Y1053 WeakPolarHBondContact O-CB 3.4Å; E1049-Y1053 PolarHBondContact O-N 3.28Å |
| 1050 | H | 32.4 | Very low | 29.6 | Very low | 116 Ų | 116 | 114 Ų | 114 | 54% | 0.537 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -60.2 | -41.1 | 173.6 | -93.3 | 54.5 | 0 | 0 | 0 | 112 | S1046 L1047 Y1053 A1054 | S1046-H1050 PolarHBondContact O-N 3.31Å; L1047-H1050 PolarHBondContact O-N 3.33Å; H1050-Y1053 PolarHBondContact O-N 3.38Å; H1050-A1054 VanDerWaalsContact O-CB 3.27Å; H1050-A1054 WeakPolarHBondContact O-CB 3.31Å; H1050-A1054 PolarHBondContact O-N 3.22Å |
| 1051 | I | 32.5 | Very low | 29.6 | Very low | 60 Ų | 60 | 115.2 Ų | 115.2 | 31% | 0.308 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -71.9 | -33.6 | 177.2 | -68.5 | 169.8 | 0 | 0 | 0 | 111.7 | L1047 S1048 E1049 S1055 P1239 T1240 | L1047-I1051 HydrophobicContact CG-CD1 4.11Å; L1047-I1051 VanDerWaalsContact O-CG1 3.31Å; L1047-I1051 WeakPolarHBondContact O-CG1 3.45Å; L1047-I1051 PolarHBondContact O-N 3.49Å; S1048-I1051 PolarHBondContact O-N 2.94Å; E1049-I1051 VanDerWaalsContact C-N 3.31Å; E1049-I1051 PolarHBondContact O-N 3.05Å; I1051-S1055 VanDerWaalsContact O-CB 3.23Å; I1051-S1055 WeakPolarHBondContact O-CB 3.3Å; I1051-S1055 PolarHBondContact O-N 3.5Å; I1051-S1055 PolarHBondContact O-OG 2.92Å; I1051-P1239 HydrophobicContact CD1-CG 4.48Å; I1051-T1240 HydrophobicContact CG2-CG2 3.94Å |
| 1052 | L | 31.9 | Very low | 29.6 | Very low | 107 Ų | 107 | 117.7 Ų | 117.7 | 56% | 0.56 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -62.8 | -49.9 | 170.4 | -118.2 | 81.5 | 0 | 0 | 0 | 110.9 | S1048 E1049 A1054 S1055 L1056 | S1048-L1052 WeakPolarHBondContact O-CB 3.47Å; S1048-L1052 PolarHBondContact O-N 2.86Å; E1049-L1052 PolarHBondContact O-N 3.19Å; L1052-A1054 PolarHBondContact O-N 3.43Å; L1052-S1055 PolarHBondContact O-N 3.46Å; L1052-S1055 VanDerWaalsContact O-N 3.11Å; L1052-S1055 PolarHBondContact O-OG 3.49Å; L1052-S1055 VanDerWaalsContact O-OG 3.12Å; L1052-L1056 WeakPolarHBondContact O-CB 3.09Å; L1052-L1056 PolarHBondContact O-N 3.43Å; L1052-L1056 VanDerWaalsContact O-N 3.14Å |
| 1053 | Y | 35.2 | Very low | 29.4 | Very low | 159 Ų | 159 | 118.6 Ų | 118.6 | 62% | 0.624 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -61.4 | -45.7 | -178.2 | -154.7 | -89.4 | 0 | 0 | 0 | 111.3 | E1049 H1050 S1055 L1056 | E1049-Y1053 WeakPolarHBondContact O-CB 3.4Å; E1049-Y1053 PolarHBondContact O-N 3.28Å; H1050-Y1053 PolarHBondContact O-N 3.38Å; Y1053-S1055 VanDerWaalsContact C-N 3.28Å; Y1053-S1055 PolarHBondContact O-N 3.08Å; Y1053-L1056 PolarHBondContact O-N 3.17Å |
| 1054 | A | 30.3 | Very low | 29.4 | Very low | 81 Ų | 81 | 113.8 Ų | 113.8 | 67% | 0.669 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -70.4 | -16.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | H1050 L1052 | H1050-A1054 VanDerWaalsContact O-CB 3.27Å; H1050-A1054 WeakPolarHBondContact O-CB 3.31Å; H1050-A1054 PolarHBondContact O-N 3.22Å; L1052-A1054 PolarHBondContact O-N 3.43Å |
| 1055 | S | 32 | Very low | 29.1 | Very low | 47 Ų | 47 | 114.8 Ų | 114.8 | 33% | 0.329 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -98.6 | -11.6 | 178.6 | 59.1 | 0 | 0 | 0 | 0 | 114.6 | I1051 L1052 Y1053 R1147 | I1051-S1055 VanDerWaalsContact O-CB 3.23Å; I1051-S1055 WeakPolarHBondContact O-CB 3.3Å; I1051-S1055 PolarHBondContact O-N 3.5Å; I1051-S1055 PolarHBondContact O-OG 2.92Å; L1052-S1055 PolarHBondContact O-N 3.46Å; L1052-S1055 VanDerWaalsContact O-N 3.11Å; L1052-S1055 PolarHBondContact O-OG 3.49Å; L1052-S1055 VanDerWaalsContact O-OG 3.12Å; Y1053-S1055 VanDerWaalsContact C-N 3.28Å; Y1053-S1055 PolarHBondContact O-N 3.08Å; S1055-R1147 PolarHBondContact O-NH1 3.24Å; S1055-R1147 VanDerWaalsContact O-NH1 3.13Å; S1055-R1147 PolarHBondContact O-NH2 3.02Å |
| 1056 | L | 25.2 | Very low | 29.3 | Very low | 133 Ų | 133 | 113 Ų | 113 | 70% | 0.696 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -99.9 | -12.8 | -177.1 | -82.6 | 166.1 | 0 | 0 | 0 | 115.9 | L1052 Y1053 | L1052-L1056 WeakPolarHBondContact O-CB 3.09Å; L1052-L1056 PolarHBondContact O-N 3.43Å; L1052-L1056 VanDerWaalsContact O-N 3.14Å; Y1053-L1056 PolarHBondContact O-N 3.17Å |
| 1057 | Q | 26.9 | Very low | 29 | Very low | 144 Ų | 144 | 118.1 Ų | 118.1 | 67% | 0.673 | 64% | 0.642 | S | S | * | * | trans | -99.8 | 106.9 | 173.7 | -70.9 | -168.9 | -0.7 | 0 | 0 | 112.2 | ||||
| 1058 | A | 26.2 | Very low | 28.8 | Very low | 93 Ų | 93 | 119.1 Ų | 119.1 | 77% | 0.769 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 149.6 | 157.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | S1060 | A1058-S1060 PolarHBondContact O-N 3.39Š|
| 1059 | P | 27.7 | Very low | 28.6 | Very low | 127 Ų | 127 | 121.4 Ų | 121.4 | 83% | 0.825 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 123.9 | -160.8 | 29 | -35.7 | 0 | 0 | 0 | 114.1 | ||
| 1060 | S | 27.9 | Very low | 28.4 | Very low | 123 Ų | 123 | 125.5 Ų | 125.5 | 86% | 0.86 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 134.1 | 157.9 | 52.7 | 0 | 0 | 0 | 0 | 109.9 | A1058 | A1058-S1060 PolarHBondContact O-N 3.39Š|
| 1061 | K | 27.1 | Very low | 28.4 | Very low | 187 Ų | 187 | 127.2 Ų | 127.2 | 81% | 0.813 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -89.4 | 137.4 | -174 | -63.5 | 176 | 179.8 | 177.5 | 0 | 111.3 | ||
| 1062 | H | 28.6 | Very low | 28.3 | Very low | 183 Ų | 183 | 132 Ų | 132 | 85% | 0.847 | 73% | 0.731 | S | S | * | * | trans | -141.3 | 92 | 146.8 | -113.6 | -78.5 | 0 | 0 | 0 | 112.6 | ||||
| 1063 | F | 24.4 | Very low | 28.4 | Very low | 160 Ų | 160 | 132.1 Ų | 132.1 | 70% | 0.702 | 74% | 0.741 | S | S | * | * | trans | 33 | 101 | 146 | -76.4 | -86.9 | 0 | 0 | 0 | 120.3 | ||||
| 1064 | N | 27.1 | Very low | 28.6 | Very low | 135 Ų | 135 | 129.1 Ų | 129.1 | 72% | 0.722 | 73% | 0.731 | S | S | * | * | 158.7 | 126.7 | 112.6 | -77 | -26.4 | 0 | 0 | 0 | 108.7 | |||||
| 1065 | N | 26.6 | Very low | 29.3 | Very low | 130 Ų | 130 | 128.9 Ų | 128.9 | 70% | 0.695 | 72% | 0.722 | S | S | * | * | S | Bend | cis | -162.6 | 158.6 | -6.3 | -97.9 | -33.9 | 0 | 0 | 0 | 108.1 | ||
| 1066 | S | 28.4 | Very low | 29.7 | Very low | 86 Ų | 86 | 130.4 Ų | 130.4 | 60% | 0.601 | 73% | 0.726 | S | S | * | * | cis | -167.6 | 159.1 | -6 | 47.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1067 | N | 25.6 | Very low | 30.6 | Very low | 148 Ų | 148 | 130 Ų | 130 | 79% | 0.791 | 72% | 0.724 | S | S | * | * | trans | 53.8 | 91.3 | 150 | -59.6 | -1.7 | 0 | 0 | 0 | 119.8 | ||||
| 1068 | C | 24.8 | Very low | 31.5 | Very low | 126 Ų | 126 | 127.1 Ų | 127.1 | 85% | 0.851 | 71% | 0.711 | S | S | * | * | 158.6 | 98.7 | 100 | -87.4 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 1069 | T | 26.8 | Very low | 32.6 | Very low | 125 Ų | 125 | 123.7 Ų | 123.7 | 77% | 0.767 | 68% | 0.68 | S | S | * | * | trans | -143.3 | 139.1 | 169.6 | 50.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1070 | N | 29.6 | Very low | 33.5 | Very low | 166 Ų | 166 | 123.9 Ų | 123.9 | 89% | 0.888 | 67% | 0.665 | S | S | * | * | trans | -154.7 | 88.6 | 175 | -126.4 | 19.8 | 0 | 0 | 0 | 108.3 | ||||
| 1071 | D | 32 | Very low | 34.6 | Very low | 151 Ų | 151 | 121.6 Ų | 121.6 | 81% | 0.807 | 64% | 0.644 | S | S | * | * | trans | -105.2 | 145.1 | -175.6 | -69.4 | -61.7 | 0 | 0 | 0 | 112.3 | ||||
| 1072 | N | 30.6 | Very low | 35.7 | Very low | 162 Ų | 162 | 115 Ų | 115 | 87% | 0.866 | 62% | 0.617 | S | S | * | * | trans | -101.8 | 139.3 | 175.8 | -70.1 | -52.7 | 0 | 0 | 0 | 111.2 | ||||
| 1073 | S | 34.7 | Very low | 36.6 | Very low | 109 Ų | 109 | 110.2 Ų | 110.2 | 76% | 0.762 | 59% | 0.591 | S | S | * | * | trans | -107.4 | 129.8 | -178.2 | 59.6 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1074 | F | 38.5 | Very low | 37.7 | Very low | 95 Ų | 95 | 107.3 Ų | 107.3 | 42% | 0.417 | 58% | 0.579 | S | S | . | * | trans | -65.7 | 150 | 174.8 | -85.8 | -90.8 | 0 | 0 | 0 | 114.2 | E1078 P1144 N1146 | F1074-E1078 HydrophobicContact CD1-CB 4.11Å; F1074-P1144 HydrophobicContact CD2-CG 3.91Å; F1074-P1144 HydrophobicContact CE2-CG 3.82Å; F1074-N1146 PolarHBondContact O-ND2 3.41Å | ||
| 1075 | T | 44.4 | Very low | 38.9 | Very low | 77 Ų | 77 | 106.6 Ų | 106.6 | 47% | 0.472 | 57% | 0.571 | S | S | . | * | trans | -101.8 | 157.8 | 177.6 | 71.5 | 0 | 0 | 0 | 0 | 113 | N1077 E1078 V1079 | T1075-N1077 VanDerWaalsContact C-N 3.31Å; T1075-N1077 PolarHBondContact O-N 3.35Å; T1075-E1078 WeakPolarHBondContact CA-OE2 3.28Å; T1075-E1078 WeakPolarHBondContact CB-OE2 3.4Å; T1075-E1078 PolarHBondContact N-OE2 3.3Å; T1075-E1078 PolarHBondContact O-N 2.87Å; T1075-E1078 PolarHBondContact OG1-OE2 3.31Å; T1075-V1079 PolarHBondContact O-N 2.92Å | ||
| 1076 | N | 40.9 | Very low | 40.2 | Very low | 79 Ų | 79 | 102.9 Ų | 102.9 | 42% | 0.422 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -66.2 | -28.2 | -174.7 | -71.6 | -4.4 | 0 | 0 | 0 | 114.2 | E1078 V1079 Y1080 Q1148 | N1076-E1078 VanDerWaalsContact C-N 3.34Å; N1076-V1079 PolarHBondContact O-N 2.88Å; N1076-Y1080 PolarHBondContact O-N 3.36Å; N1076-Y1080 VanDerWaalsContact O-N 3.14Å; N1076-Q1148 PolarHBondContact ND2-OE1 2.85Å; N1076-Q1148 PolarHBondContact OD1-OE1 3.12Å |
| 1077 | N | 43.5 | Very low | 41.2 | Very low | 123 Ų | 123 | 100.2 Ų | 100.2 | 66% | 0.658 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -67.6 | -37.8 | 176.9 | -70 | 11.9 | 0 | 0 | 0 | 111.2 | T1075 V1079 Y1080 D1081 | T1075-N1077 VanDerWaalsContact C-N 3.31Å; T1075-N1077 PolarHBondContact O-N 3.35Å; N1077-V1079 VanDerWaalsContact C-N 3.29Å; N1077-V1079 PolarHBondContact O-N 3.28Å; N1077-Y1080 PolarHBondContact O-N 3.01Å; N1077-Y1080 VanDerWaalsContact O-N 3.13Å; N1077-D1081 PolarHBondContact O-N 2.86Å |
| 1078 | E | 47 | Very low | 42.4 | Very low | 85 Ų | 85 | 97.4 Ų | 97.4 | 40% | 0.397 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.6 | -35.4 | 176.4 | -64.8 | 161.9 | 125.8 | 0 | 0 | 111.2 | F1074 T1075 N1076 I1082 | F1074-E1078 HydrophobicContact CD1-CB 4.11Å; T1075-E1078 WeakPolarHBondContact CA-OE2 3.28Å; T1075-E1078 WeakPolarHBondContact CB-OE2 3.4Å; T1075-E1078 PolarHBondContact N-OE2 3.3Å; T1075-E1078 PolarHBondContact O-N 2.87Å; T1075-E1078 PolarHBondContact OG1-OE2 3.31Å; N1076-E1078 VanDerWaalsContact C-N 3.34Å; E1078-I1082 VanDerWaalsContact O-CB 3.27Å; E1078-I1082 WeakPolarHBondContact O-CB 3.46Å; E1078-I1082 WeakPolarHBondContact O-CD1 3.45Å; E1078-I1082 WeakPolarHBondContact O-CG1 3.47Å; E1078-I1082 PolarHBondContact O-N 3.47Å |
| 1079 | V | 47.9 | Very low | 43.4 | Very low | 20 Ų | 20 | 95.8 Ų | 95.8 | 12% | 0.121 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -64.4 | -40.4 | 172.7 | -175.8 | 0 | 0 | 0 | 0 | 111.4 | T1075 N1076 N1077 W1083 L1140 L1143 I1149 | T1075-V1079 PolarHBondContact O-N 2.92Å; N1076-V1079 PolarHBondContact O-N 2.88Å; N1077-V1079 VanDerWaalsContact C-N 3.29Å; N1077-V1079 PolarHBondContact O-N 3.28Å; V1079-W1083 PolarHBondContact O-N 2.93Å; V1079-W1083 VanDerWaalsContact O-N 3.1Å; V1079-L1140 HydrophobicContact CG1-CD2 3.84Å; V1079-L1143 HydrophobicContact CB-CD1 4.44Å; V1079-L1143 HydrophobicContact CG1-CD1 3.87Å; V1079-L1143 HydrophobicContact CG2-CD1 4.18Å; V1079-I1149 HydrophobicContact CG2-CD1 4.08Å |
| 1080 | Y | 46.6 | Very low | 44 | Very low | 131 Ų | 131 | 95.4 Ų | 95.4 | 51% | 0.514 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -71.2 | -43.4 | -179.9 | -154.7 | -76.8 | 0 | 0 | 0 | 112 | N1076 N1077 W1083 K1084 | N1076-Y1080 PolarHBondContact O-N 3.36Å; N1076-Y1080 VanDerWaalsContact O-N 3.14Å; N1077-Y1080 PolarHBondContact O-N 3.01Å; N1077-Y1080 VanDerWaalsContact O-N 3.13Å; Y1080-W1083 HydrophobicContact CE2-CZ3 4.48Å; Y1080-W1083 PolarHBondContact O-N 2.86Å; Y1080-K1084 VanDerWaalsContact O-CB 3.24Å; Y1080-K1084 WeakPolarHBondContact O-CB 3.11Å; Y1080-K1084 PolarHBondContact O-N 3.31Å |
| 1081 | D | 51.8 | Low | 44.2 | Very low | 75 Ų | 75 | 91.6 Ų | 91.6 | 40% | 0.401 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -68.7 | -34.8 | 175.6 | -79.7 | -44.2 | 0 | 0 | 0 | 111.8 | N1077 K1084 E1085 | N1077-D1081 PolarHBondContact O-N 2.86Å; D1081-K1084 PolarHBondContact O-N 3.1Å; D1081-K1084 IonicContact OD1-NZ 3.33Å; D1081-K1084 PolarHBondContact OD1-NZ 3.39Å; D1081-E1085 WeakPolarHBondContact O-CB 3.46Å; D1081-E1085 WeakPolarHBondContact O-CG 3.38Å; D1081-E1085 PolarHBondContact O-N 2.92Å |
| 1082 | I | 49.6 | Very low | 44.1 | Very low | 50 Ų | 50 | 88.4 Ų | 88.4 | 26% | 0.256 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63.3 | -42.9 | 171.9 | -74.5 | 167 | 0 | 0 | 0 | 111.5 | E1078 Q1086 A1139 L1143 | E1078-I1082 VanDerWaalsContact O-CB 3.27Å; E1078-I1082 WeakPolarHBondContact O-CB 3.46Å; E1078-I1082 WeakPolarHBondContact O-CD1 3.45Å; E1078-I1082 WeakPolarHBondContact O-CG1 3.47Å; E1078-I1082 PolarHBondContact O-N 3.47Å; I1082-Q1086 WeakPolarHBondContact O-CG 3.44Å; I1082-Q1086 PolarHBondContact O-N 2.53Å; I1082-A1139 HydrophobicContact CG2-CB 4.27Å; I1082-L1143 HydrophobicContact CD1-CD2 3.99Å |
| 1083 | W | 48.1 | Very low | 44.1 | Very low | 81 Ų | 81 | 88.6 Ų | 88.6 | 31% | 0.307 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -62.6 | -44.3 | 175.6 | 178.3 | 48.4 | 0 | 0 | 0 | 111.6 | V1079 Y1080 Q1086 E1087 L1140 | V1079-W1083 PolarHBondContact O-N 2.93Å; V1079-W1083 VanDerWaalsContact O-N 3.1Å; Y1080-W1083 HydrophobicContact CE2-CZ3 4.48Å; Y1080-W1083 PolarHBondContact O-N 2.86Å; W1083-Q1086 PolarHBondContact O-N 3.1Å; W1083-E1087 PolarHBondContact O-N 3.27Å; W1083-L1140 HydrophobicContact CG-CD1 4.43Å |
| 1084 | K | 48.3 | Very low | 43.7 | Very low | 100 Ų | 100 | 88.1 Ų | 88.1 | 44% | 0.435 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -66.5 | -37.7 | 178.5 | 174 | 179.2 | 150.2 | -149.8 | 0 | 113.7 | Y1080 D1081 H1088 | Y1080-K1084 VanDerWaalsContact O-CB 3.24Å; Y1080-K1084 WeakPolarHBondContact O-CB 3.11Å; Y1080-K1084 PolarHBondContact O-N 3.31Å; D1081-K1084 PolarHBondContact O-N 3.1Å; D1081-K1084 IonicContact OD1-NZ 3.33Å; D1081-K1084 PolarHBondContact OD1-NZ 3.39Å; K1084-H1088 WeakPolarHBondContact O-CB 3.19Å; K1084-H1088 PolarHBondContact O-CD2 3.13Å; K1084-H1088 PolarHBondContact O-N 2.86Å |
| 1085 | E | 52 | Low | 43.4 | Very low | 119 Ų | 119 | 89.7 Ų | 89.7 | 56% | 0.556 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -62 | -43.8 | 172.2 | -80.3 | -170.6 | 151.9 | 0 | 0 | 111.1 | D1081 E1087 H1088 L1089 | D1081-E1085 WeakPolarHBondContact O-CB 3.46Å; D1081-E1085 WeakPolarHBondContact O-CG 3.38Å; D1081-E1085 PolarHBondContact O-N 2.92Å; E1085-E1087 VanDerWaalsContact C-N 3.34Å; E1085-E1087 PolarHBondContact O-N 2.99Å; E1085-H1088 PolarHBondContact O-N 3.3Å; E1085-L1089 HydrophobicContact CB-CD1 4.44Å; E1085-L1089 VanDerWaalsContact O-CB 3.31Å; E1085-L1089 WeakPolarHBondContact O-CB 3.5Å; E1085-L1089 WeakPolarHBondContact O-CD1 3.48Å; E1085-L1089 WeakPolarHBondContact O-CG 3.47Å; E1085-L1089 PolarHBondContact O-N 3.43Å |
| 1086 | Q | 52.4 | Low | 42.5 | Very low | 53 Ų | 53 | 91.3 Ų | 91.3 | 25% | 0.248 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -69 | -26.9 | -178.6 | -63.9 | -61.9 | -51.1 | 0 | 0 | 113.8 | I1082 W1083 N1133 A1139 | I1082-Q1086 WeakPolarHBondContact O-CG 3.44Å; I1082-Q1086 PolarHBondContact O-N 2.53Å; W1083-Q1086 PolarHBondContact O-N 3.1Å; Q1086-N1133 PolarHBondContact O-ND2 3.28Å; Q1086-N1133 VanDerWaalsContact O-ND2 3.17Å; Q1086-A1139 HydrophobicContact CG-CB 4.16Å |
| 1087 | E | 50.1 | Low | 41.8 | Very low | 30 Ų | 30 | 92.9 Ų | 92.9 | 14% | 0.14 | 52% | 0.516 | C | S | . | . | H | α-helix | trans | -77.3 | -37.7 | 168.9 | -69.4 | -101 | 123.1 | 0 | 0 | 112.2 | W1083 E1085 K1132 N1133 | W1083-E1087 PolarHBondContact O-N 3.27Å; E1085-E1087 VanDerWaalsContact C-N 3.34Å; E1085-E1087 PolarHBondContact O-N 2.99Å; E1087-K1132 PolarHBondContact OE1-N 3.11Å; E1087-K1132 VanDerWaalsContact OE1-N 3.15Å; E1087-N1133 PolarHBondContact OE1-N 3.46Å |
| 1088 | H | 51.2 | Low | 41.1 | Very low | 88 Ų | 88 | 92.5 Ų | 92.5 | 41% | 0.407 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -83.8 | -20.2 | -176.2 | -88.8 | -75.8 | 0 | 0 | 0 | 115.8 | K1084 E1085 T1090 S1091 | K1084-H1088 WeakPolarHBondContact O-CB 3.19Å; K1084-H1088 PolarHBondContact O-CD2 3.13Å; K1084-H1088 PolarHBondContact O-N 2.86Å; E1085-H1088 PolarHBondContact O-N 3.3Å; H1088-T1090 PolarHBondContact O-N 2.86Å; H1088-S1091 WeakPolarHBondContact O-CB 3.44Å; H1088-S1091 PolarHBondContact O-N 3.08Å; H1088-S1091 PolarHBondContact O-OG 3.42Å |
| 1089 | L | 46.3 | Very low | 40.1 | Very low | 92 Ų | 92 | 93.8 Ų | 93.8 | 48% | 0.482 | 55% | 0.549 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -11.8 | -171.2 | -91 | 164.8 | 0 | 0 | 0 | 115.7 | E1085 S1091 | E1085-L1089 HydrophobicContact CB-CD1 4.44Å; E1085-L1089 VanDerWaalsContact O-CB 3.31Å; E1085-L1089 WeakPolarHBondContact O-CB 3.5Å; E1085-L1089 WeakPolarHBondContact O-CD1 3.48Å; E1085-L1089 WeakPolarHBondContact O-CG 3.47Å; E1085-L1089 PolarHBondContact O-N 3.43Å; L1089-S1091 VanDerWaalsContact C-N 3.33Å |
| 1090 | T | 38.9 | Very low | 39.1 | Very low | 117 Ų | 117 | 96.1 Ų | 96.1 | 72% | 0.718 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | 2.8 | 172.1 | 48.9 | 0 | 0 | 0 | 0 | 113.9 | H1088 | H1088-T1090 PolarHBondContact O-N 2.86Š|
| 1091 | S | 33.1 | Very low | 38.1 | Very low | 86 Ų | 86 | 96.5 Ų | 96.5 | 60% | 0.601 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -110.7 | -5.7 | -174.2 | 67.7 | 0 | 0 | 0 | 0 | 116 | H1088 L1089 | H1088-S1091 WeakPolarHBondContact O-CB 3.44Å; H1088-S1091 PolarHBondContact O-N 3.08Å; H1088-S1091 PolarHBondContact O-OG 3.42Å; L1089-S1091 VanDerWaalsContact C-N 3.33Å |
| 1092 | S | 30.9 | Very low | 36.9 | Very low | 84 Ų | 84 | 98.9 Ų | 98.9 | 59% | 0.587 | 62% | 0.615 | S | S | * | * | trans | -139.5 | 39.7 | -163.8 | 53.7 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1093 | L | 30.9 | Very low | 35.7 | Very low | 167 Ų | 167 | 106 Ų | 106 | 87% | 0.874 | 64% | 0.644 | S | S | * | * | trans | -119.5 | 44.5 | 174.1 | -108.8 | 156.8 | 0 | 0 | 0 | 113.9 | ||||
| 1094 | S | 26 | Very low | 35 | Very low | 98 Ų | 98 | 106.9 Ų | 106.9 | 69% | 0.685 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -139.5 | 127.7 | 163.3 | 61.4 | 0 | 0 | 0 | 0 | 111.1 | ||
| 1095 | S | 30.8 | Very low | 33.9 | Very low | 129 Ų | 129 | 108.9 Ų | 108.9 | 90% | 0.902 | 68% | 0.675 | S | S | * | * | trans | 69.4 | 160.6 | -174.8 | 80.6 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1096 | S | 25.9 | Very low | 32.6 | Very low | 110 Ų | 110 | 109.7 Ų | 109.7 | 77% | 0.769 | 68% | 0.683 | S | S | * | * | trans | -152.2 | 165 | -156.3 | 60.2 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1097 | S | 26.4 | Very low | 31.2 | Very low | 112 Ų | 112 | 112 Ų | 112 | 78% | 0.783 | 70% | 0.704 | S | S | * | * | trans | 98.9 | 155.6 | 149.9 | 82.9 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 1098 | S | 29.8 | Very low | 30 | Very low | 115 Ų | 115 | 115.3 Ų | 115.3 | 80% | 0.804 | 73% | 0.731 | S | S | * | * | trans | 87.6 | 87.1 | 165.2 | 68.4 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 1099 | A | 26 | Very low | 28.8 | Very low | 113 Ų | 113 | 119 Ų | 119 | 93% | 0.934 | 75% | 0.748 | S | S | * | * | trans | 13.7 | 147.7 | 138.8 | 0 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 1100 | G | 25.9 | Very low | 27.8 | Very low | 68 Ų | 68 | 122.3 Ų | 122.3 | 70% | 0.701 | 76% | 0.761 | S | S | * | * | trans | -170.7 | 12.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 1101 | T | 26.2 | Very low | 27.2 | Very low | 139 Ų | 139 | 121 Ų | 121 | 85% | 0.853 | 76% | 0.756 | S | S | * | * | trans | 46.3 | 135 | 163.4 | 51.1 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 1102 | S | 25.5 | Very low | 26.8 | Very low | 125 Ų | 125 | 124 Ų | 124 | 87% | 0.874 | 77% | 0.766 | S | S | * | * | trans | 99.1 | 165.9 | 148.7 | 84.1 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1103 | K | 25.2 | Very low | 26.4 | Very low | 199 Ų | 199 | 130.1 Ų | 130.1 | 87% | 0.865 | 78% | 0.776 | S | S | * | * | trans | -152.9 | 173.1 | -161.1 | -115.9 | -176.2 | -176.4 | -177.4 | 0 | 106.5 | ||||
| 1104 | P | 32.7 | Very low | 26.2 | Very low | 101 Ų | 101 | 128.1 Ų | 128.1 | 66% | 0.656 | 77% | 0.77 | S | S | * | * | cis | -143.8 | -160.8 | -10.4 | 38.9 | -16.3 | 0 | 0 | 0 | 114.9 | ||||
| 1105 | I | 26 | Very low | 26.1 | Very low | 142 Ų | 142 | 130.4 Ų | 130.4 | 73% | 0.728 | 77% | 0.77 | S | S | * | * | trans | 88.1 | 115.8 | 144.1 | -82.8 | 172.3 | 0 | 0 | 0 | 122.5 | ||||
| 1106 | N | 24.1 | Very low | 25.8 | Very low | 136 Ų | 136 | 129.9 Ų | 129.9 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | trans | 64.6 | 133.2 | 138.5 | -60.9 | 3.6 | 0 | 0 | 0 | 127.4 | ||||
| 1107 | S | 24.5 | Very low | 25.6 | Very low | 100 Ų | 100 | 129.4 Ų | 129.4 | 70% | 0.699 | 76% | 0.763 | S | S | * | * | 79.3 | 93.7 | 129.6 | 64 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 1108 | S | 24 | Very low | 25.5 | Very low | 100 Ų | 100 | 131.5 Ų | 131.5 | 70% | 0.699 | 77% | 0.765 | S | S | * | * | 81.6 | 138.5 | 111.7 | 72.9 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 1109 | H | 25.4 | Very low | 25.2 | Very low | 167 Ų | 167 | 133.6 Ų | 133.6 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | trans | 95 | 129.4 | 157.2 | -73.4 | -76.5 | 0 | 0 | 0 | 122 | ||||
| 1110 | H | 26 | Very low | 25.2 | Very low | 161 Ų | 161 | 132.2 Ų | 132.2 | 75% | 0.745 | 75% | 0.751 | S | S | * | * | trans | 69.5 | 83.7 | 159.8 | -75 | -62.9 | 0 | 0 | 0 | 123.2 | ||||
| 1111 | S | 25 | Very low | 25.3 | Very low | 88 Ų | 88 | 137 Ų | 137 | 62% | 0.615 | 76% | 0.76 | S | S | * | * | 43.2 | 134.7 | 111.9 | 63.8 | 0 | 0 | 0 | 0 | 123 | |||||
| 1112 | N | 24.8 | Very low | 25.3 | Very low | 150 Ų | 150 | 139.2 Ų | 139.2 | 80% | 0.802 | 76% | 0.761 | S | S | * | * | trans | 95.7 | 121.9 | 157.7 | -71.4 | -28.7 | 0 | 0 | 0 | 120.2 | ||||
| 1113 | R | 24 | Very low | 25.6 | Very low | 213 Ų | 213 | 138.6 Ų | 138.6 | 80% | 0.804 | 75% | 0.747 | S | S | * | * | trans | 46.8 | 136.9 | 146.1 | -83 | 177.8 | 165.8 | 158.7 | -2.1 | 118.7 | ||||
| 1114 | V | 26.3 | Very low | 25.8 | Very low | 124 Ų | 124 | 132 Ų | 132 | 75% | 0.752 | 73% | 0.725 | S | S | * | * | cis | -151.7 | 134.5 | 45.7 | 167.3 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 1115 | Q | 22.9 | Very low | 25.9 | Very low | 147 Ų | 147 | 133.1 Ų | 133.1 | 69% | 0.687 | 73% | 0.725 | S | S | * | * | cis | 90.9 | 143.4 | 47.5 | -160.6 | 179.5 | 1.2 | 0 | 0 | 113.6 | ||||
| 1116 | S | 24.5 | Very low | 26.4 | Very low | 117 Ų | 117 | 132.8 Ų | 132.8 | 82% | 0.818 | 72% | 0.715 | S | S | * | * | trans | 75.3 | 138.6 | -174.2 | 79.5 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1117 | S | 23 | Very low | 27 | Very low | 101 Ų | 101 | 129.3 Ų | 129.3 | 71% | 0.706 | 70% | 0.696 | S | S | * | * | cis | -156.6 | 121.3 | -13.2 | 51.9 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1118 | L | 24.3 | Very low | 27.5 | Very low | 155 Ų | 155 | 127 Ų | 127 | 81% | 0.812 | 68% | 0.68 | S | S | * | * | trans | -141.8 | 124.7 | 150.4 | -81.2 | 166.9 | 0 | 0 | 0 | 104.5 | ||||
| 1119 | N | 22.7 | Very low | 28 | Very low | 159 Ų | 159 | 126.9 Ų | 126.9 | 85% | 0.85 | 67% | 0.665 | S | S | * | * | cis | 71.2 | 36 | 5.5 | -95.8 | 37.8 | 0 | 0 | 0 | 117.2 | ||||
| 1120 | S | 26.9 | Very low | 28.7 | Very low | 85 Ų | 85 | 122.9 Ų | 122.9 | 59% | 0.594 | 65% | 0.654 | S | S | * | * | trans | -155.1 | 141.1 | 149 | 50 | 0 | 0 | 0 | 0 | 110 | E1122 | S1120-E1122 PolarHBondContact O-N 2.77Š| ||
| 1121 | N | 26.8 | Very low | 29.3 | Very low | 169 Ų | 169 | 117.1 Ų | 117.1 | 90% | 0.904 | 63% | 0.63 | S | S | * | * | trans | -83.1 | 90.6 | 178.5 | -67.4 | -23.6 | 0 | 0 | 0 | 110.2 | ||||
| 1122 | E | 27.1 | Very low | 30.2 | Very low | 185 Ų | 185 | 118.1 Ų | 118.1 | 86% | 0.864 | 62% | 0.623 | S | S | * | * | trans | -156.8 | 128.7 | 163.1 | -114.3 | 154 | -142.5 | 0 | 0 | 109.2 | S1120 | S1120-E1122 PolarHBondContact O-N 2.77Š| ||
| 1123 | L | 30.7 | Very low | 31.2 | Very low | 111 Ų | 111 | 112.8 Ų | 112.8 | 58% | 0.581 | 60% | 0.595 | S | S | * | * | trans | -95 | 135.5 | -176.6 | -151.4 | 142.3 | 0 | 0 | 0 | 108.4 | D1125 L1127 | L1123-D1125 PolarHBondContact O-N 3.15Å; L1123-L1127 HydrophobicContact CD2-CB 3.71Å; L1123-L1127 HydrophobicContact CD2-CD1 3.89Å; L1123-L1127 HydrophobicContact CD2-CG 4.41Å | ||
| 1124 | P | 30.2 | Very low | 32.4 | Very low | 62 Ų | 62 | 107.7 Ų | 107.7 | 40% | 0.403 | 58% | 0.583 | S | S | . | * | trans | -59.7 | 134.6 | -170.6 | -26.2 | 34.9 | 0 | 0 | 0 | 113.6 | W1126 L1127 | P1124-W1126 HydrophobicContact CB-CD2 4.44Å; P1124-W1126 HydrophobicContact CB-CG 4.41Å; P1124-W1126 HydrophobicContact CB-CZ2 4.29Å; P1124-W1126 VanDerWaalsContact CB-NE1 3.31Å; P1124-W1126 PolarHBondContact O-N 3.18Å; P1124-L1127 PolarHBondContact O-N 3.3Å | ||
| 1125 | D | 34.7 | Very low | 33.2 | Very low | 123 Ų | 123 | 106.5 Ų | 106.5 | 66% | 0.658 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.2 | -4.4 | -168.2 | -140.9 | -0.7 | 0 | 0 | 0 | 114.9 | L1123 K1132 | L1123-D1125 PolarHBondContact O-N 3.15Å; D1125-K1132 PolarHBondContact O-NZ 3.11Å; D1125-K1132 IonicContact OD1-NZ 3.82Å; D1125-K1132 PolarHBondContact OD1-NZ 3.1Å; D1125-K1132 IonicContact OD2-NZ 2.67Å |
| 1126 | W | 37.1 | Very low | 34.5 | Very low | 135 Ų | 135 | 99.5 Ų | 99.5 | 51% | 0.511 | 54% | 0.537 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | 2.2 | 174.6 | 57.2 | -96.3 | 0 | 0 | 0 | 113.8 | P1124 | P1124-W1126 HydrophobicContact CB-CD2 4.44Å; P1124-W1126 HydrophobicContact CB-CG 4.41Å; P1124-W1126 HydrophobicContact CB-CZ2 4.29Å; P1124-W1126 VanDerWaalsContact CB-NE1 3.31Å; P1124-W1126 PolarHBondContact O-N 3.18Å |
| 1127 | L | 35.7 | Very low | 35.6 | Very low | 64 Ų | 64 | 96.9 Ų | 96.9 | 34% | 0.335 | 51% | 0.513 | S | S | . | . | trans | -97.8 | 10.5 | 172.1 | -88.5 | 154.3 | 0 | 0 | 0 | 113.1 | L1123 P1124 Y1129 P1289 | L1123-L1127 HydrophobicContact CD2-CB 3.71Å; L1123-L1127 HydrophobicContact CD2-CD1 3.89Å; L1123-L1127 HydrophobicContact CD2-CG 4.41Å; P1124-L1127 PolarHBondContact O-N 3.3Å; L1127-Y1129 PolarHBondContact O-N 2.96Å; L1127-P1289 HydrophobicContact CD2-CB 4.17Å; L1127-P1289 HydrophobicContact CD2-CG 3.96Å | ||
| 1128 | S | 36.1 | Very low | 36.7 | Very low | 52 Ų | 52 | 93.6 Ų | 93.6 | 36% | 0.364 | 49% | 0.489 | S | S | . | . | trans | -77.4 | 109.1 | 173.3 | -55 | 0 | 0 | 0 | 0 | 111.2 | P1130 | S1128-P1130 CarbonylContact O-C 3.34Š| ||
| 1129 | Y | 34.6 | Very low | 37.8 | Very low | 97 Ų | 97 | 87 Ų | 87 | 38% | 0.38 | 46% | 0.457 | S | S | . | . | S | Bend | trans | -94.6 | 139.2 | 155.5 | 175.2 | -92.3 | 0 | 0 | 0 | 108.5 | L1127 D1255 F1288 | L1127-Y1129 PolarHBondContact O-N 2.96Å; Y1129-D1255 HydrophobicContact CE1-CB 4.27Å; Y1129-D1255 VanDerWaalsContact CE1-CG 3.47Å; Y1129-D1255 WeakPolarHBondContact CE1-OD1 3.24Å; Y1129-D1255 WeakPolarHBondContact CE1-OD2 3.48Å; Y1129-D1255 PolarHBondContact OH-OD2 2.94Å; Y1129-F1288 HydrophobicContact CD1-CE1 4.42Å; Y1129-F1288 HydrophobicContact CD2-CD1 4.49Å; Y1129-F1288 AromaticContact CD2-CE1 3.36Å; Y1129-F1288 HydrophobicContact CD2-CE1 3.36Å; Y1129-F1288 AromaticContact CD2-CZ 3.52Å; Y1129-F1288 HydrophobicContact CD2-CZ 3.52Å; Y1129-F1288 HydrophobicContact CE2-CE1 4.08Å; Y1129-F1288 AromaticContact CE2-CZ 3.72Å; Y1129-F1288 HydrophobicContact CE2-CZ 3.72Å; Y1129-F1288 HydrophobicContact CG-CD1 4.36Å; Y1129-F1288 AromaticContact CG-CE1 3.6Å; Y1129-F1288 HydrophobicContact CG-CE1 3.6Å; Y1129-F1288 HydrophobicContact CG-CZ 4.02Å |
| 1130 | P | 38.9 | Very low | 39.2 | Very low | 83 Ų | 83 | 81.2 Ų | 81.2 | 54% | 0.539 | 43% | 0.426 | S | S | . | . | S | Bend | cis | -69.5 | 153.2 | -2.3 | 29.8 | -36.2 | 0 | 0 | 0 | 113.7 | S1128 | S1128-P1130 CarbonylContact O-C 3.34Š|
| 1131 | P | 38.5 | Very low | 40.3 | Very low | 40 Ų | 40 | 82 Ų | 82 | 26% | 0.26 | 42% | 0.416 | S | S | . | . | P | Polyproline II helix | trans | -63.8 | 147 | -176.6 | 27.2 | -35.8 | 0 | 0 | 0 | 112.3 | M1137 | P1131-M1137 HydrophobicContact CG-CG 4.27Å; P1131-M1137 HydrophobicContact CG-SD 4.4Å |
| 1132 | K | 43.5 | Very low | 41.3 | Very low | 108 Ų | 108 | 77.5 Ų | 77.5 | 47% | 0.47 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -81.9 | -30 | -167.7 | -71.8 | 168.1 | 178.2 | 165 | 0 | 113.5 | E1087 D1125 | E1087-K1132 PolarHBondContact OE1-N 3.11Å; E1087-K1132 VanDerWaalsContact OE1-N 3.15Å; D1125-K1132 PolarHBondContact O-NZ 3.11Å; D1125-K1132 IonicContact OD1-NZ 3.82Å; D1125-K1132 PolarHBondContact OD1-NZ 3.1Å; D1125-K1132 IonicContact OD2-NZ 2.67Å |
| 1133 | N | 46.5 | Very low | 42.3 | Very low | 39 Ų | 39 | 69.7 Ų | 69.7 | 21% | 0.209 | 35% | 0.353 | C | S | . | . | trans | -112.1 | 129.7 | -176.8 | -73.6 | -19.4 | 0 | 0 | 0 | 112.8 | Q1086 E1087 Q1135 S1136 | Q1086-N1133 PolarHBondContact O-ND2 3.28Å; Q1086-N1133 VanDerWaalsContact O-ND2 3.17Å; E1087-N1133 PolarHBondContact OE1-N 3.46Å; N1133-Q1135 VanDerWaalsContact C-N 3.29Å; N1133-Q1135 PolarHBondContact O-N 2.79Å; N1133-S1136 VanDerWaalsContact O-CB 3.29Å; N1133-S1136 WeakPolarHBondContact O-CB 3.35Å; N1133-S1136 PolarHBondContact O-N 3.44Å; N1133-S1136 PolarHBondContact O-OG 3.06Å | ||
| 1134 | L | 48.7 | Very low | 43.1 | Very low | 106 Ų | 106 | 67.8 Ų | 67.8 | 56% | 0.555 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -71.1 | -24.9 | -179.4 | -153.9 | 149.2 | 0 | 0 | 0 | 112.2 | S1136 M1137 C1138 | L1134-S1136 VanDerWaalsContact C-N 3.29Å; L1134-S1136 PolarHBondContact O-N 2.87Å; L1134-M1137 PolarHBondContact O-N 3.3Å; L1134-C1138 PolarHBondContact O-N 3.42Å; L1134-C1138 PolarHBondContact O-SG 3.25Å |
| 1135 | Q | 44.5 | Very low | 43.7 | Very low | 98 Ų | 98 | 70.4 Ų | 70.4 | 46% | 0.458 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -57.8 | -39.5 | 170.4 | -68.4 | 84.8 | -17.1 | 0 | 0 | 112.1 | N1133 M1137 C1138 A1139 | N1133-Q1135 VanDerWaalsContact C-N 3.29Å; N1133-Q1135 PolarHBondContact O-N 2.79Å; Q1135-M1137 VanDerWaalsContact C-N 3.26Å; Q1135-M1137 PolarHBondContact O-N 3.28Å; Q1135-C1138 WeakPolarHBondContact O-CB 3.33Å; Q1135-C1138 PolarHBondContact O-N 2.89Å; Q1135-A1139 PolarHBondContact O-N 2.95Å |
| 1136 | S | 49.4 | Very low | 44.5 | Very low | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -59.8 | -36.7 | -179 | -49.7 | 0 | 0 | 0 | 0 | 112.1 | N1133 L1134 | N1133-S1136 VanDerWaalsContact O-CB 3.29Å; N1133-S1136 WeakPolarHBondContact O-CB 3.35Å; N1133-S1136 PolarHBondContact O-N 3.44Å; N1133-S1136 PolarHBondContact O-OG 3.06Å; L1134-S1136 VanDerWaalsContact C-N 3.29Å; L1134-S1136 PolarHBondContact O-N 2.87Å |
| 1137 | M | 48 | Very low | 45 | Very low | 63 Ų | 63 | 68.9 Ų | 68.9 | 31% | 0.31 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -74.9 | -36.7 | 173.6 | -68.7 | -91 | 69.1 | 0 | 0 | 112.6 | P1131 L1134 Q1135 L1140 W1141 L1156 | P1131-M1137 HydrophobicContact CG-CG 4.27Å; P1131-M1137 HydrophobicContact CG-SD 4.4Å; L1134-M1137 PolarHBondContact O-N 3.3Å; Q1135-M1137 VanDerWaalsContact C-N 3.26Å; Q1135-M1137 PolarHBondContact O-N 3.28Å; M1137-L1140 HydrophobicContact CE-CD1 3.75Å; M1137-W1141 PolarHBondContact O-N 3.27Å; M1137-L1156 HydrophobicContact CE-CD1 3.84Å; M1137-L1156 HydrophobicContact CE-CD2 3.91Å; M1137-L1156 HydrophobicContact SD-CD2 3.75Å |
| 1138 | C | 45.9 | Very low | 45.5 | Very low | 31 Ų | 31 | 71.2 Ų | 71.2 | 21% | 0.209 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -65.6 | -40.3 | 177.1 | -64.8 | 0 | 0 | 0 | 0 | 112.2 | L1134 Q1135 L1140 W1141 Q1142 | L1134-C1138 PolarHBondContact O-N 3.42Å; L1134-C1138 PolarHBondContact O-SG 3.25Å; Q1135-C1138 WeakPolarHBondContact O-CB 3.33Å; Q1135-C1138 PolarHBondContact O-N 2.89Å; C1138-L1140 PolarHBondContact O-N 2.93Å; C1138-W1141 WeakPolarHBondContact O-CB 3.39Å; C1138-W1141 PolarHBondContact O-N 2.83Å; C1138-W1141 VanDerWaalsContact O-N 3.1Å; C1138-Q1142 WeakPolarHBondContact O-CG 3.19Å; C1138-Q1142 PolarHBondContact O-N 2.92Å; C1138-Q1142 VanDerWaalsContact O-N 3.11Å |
| 1139 | A | 48.5 | Very low | 46.3 | Very low | 17 Ų | 17 | 69.4 Ų | 69.4 | 14% | 0.14 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -59.6 | -46.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | I1082 Q1086 Q1135 W1141 Q1142 L1143 | I1082-A1139 HydrophobicContact CG2-CB 4.27Å; Q1086-A1139 HydrophobicContact CG-CB 4.16Å; Q1135-A1139 PolarHBondContact O-N 2.95Å; A1139-W1141 PolarHBondContact O-N 3.45Å; A1139-Q1142 PolarHBondContact O-N 3.47Å; A1139-L1143 PolarHBondContact O-N 3.43Å |
| 1140 | L | 50.3 | Low | 47.1 | Very low | 38 Ų | 38 | 68.5 Ų | 68.5 | 20% | 0.199 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -59.6 | -31.5 | 174.6 | -78.5 | 162.8 | 0 | 0 | 0 | 113 | V1079 W1083 M1137 C1138 R1153 | V1079-L1140 HydrophobicContact CG1-CD2 3.84Å; W1083-L1140 HydrophobicContact CG-CD1 4.43Å; M1137-L1140 HydrophobicContact CE-CD1 3.75Å; C1138-L1140 PolarHBondContact O-N 2.93Å; L1140-R1153 PolarHBondContact O-NE 2.84Å; L1140-R1153 PolarHBondContact O-NH2 3.47Å |
| 1141 | W | 52 | Low | 47.7 | Very low | 100 Ų | 100 | 70.2 Ų | 70.2 | 38% | 0.379 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -77 | -22.2 | 175.8 | -158.9 | -86.6 | 0 | 0 | 0 | 113.9 | M1137 C1138 A1139 R1153 | M1137-W1141 PolarHBondContact O-N 3.27Å; C1138-W1141 WeakPolarHBondContact O-CB 3.39Å; C1138-W1141 PolarHBondContact O-N 2.83Å; C1138-W1141 VanDerWaalsContact O-N 3.1Å; A1139-W1141 PolarHBondContact O-N 3.45Å; W1141-R1153 VanDerWaalsContact C-NH2 3.3Å; W1141-R1153 HydrophobicContact CD2-CG 4.44Å; W1141-R1153 HydrophobicContact CE3-CB 4.29Å; W1141-R1153 HydrophobicContact CE3-CG 3.86Å; W1141-R1153 HydrophobicContact CH2-CB 4.25Å; W1141-R1153 HydrophobicContact CZ3-CB 3.83Å; W1141-R1153 HydrophobicContact CZ3-CG 3.93Å; W1141-R1153 PolarHBondContact O-NH1 3.06Å; W1141-R1153 PolarHBondContact O-NH2 2.91Å; W1141-R1153 VanDerWaalsContact O-NH2 3.07Å |
| 1142 | Q | 46.8 | Very low | 48.4 | Very low | 75 Ų | 75 | 71.2 Ų | 71.2 | 35% | 0.35 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -99.8 | -11.1 | -173 | -71.5 | 172.8 | -8.6 | 0 | 0 | 115 | C1138 A1139 | C1138-Q1142 WeakPolarHBondContact O-CG 3.19Å; C1138-Q1142 PolarHBondContact O-N 2.92Å; C1138-Q1142 VanDerWaalsContact O-N 3.11Å; A1139-Q1142 PolarHBondContact O-N 3.47Å |
| 1143 | L | 48.9 | Very low | 49 | Very low | 21 Ų | 21 | 68.7 Ų | 68.7 | 11% | 0.11 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -59.9 | 141.8 | 176.2 | -73.1 | 165.7 | 0 | 0 | 0 | 113 | V1079 I1082 A1139 I1149 R1153 | V1079-L1143 HydrophobicContact CB-CD1 4.44Å; V1079-L1143 HydrophobicContact CG1-CD1 3.87Å; V1079-L1143 HydrophobicContact CG2-CD1 4.18Å; I1082-L1143 HydrophobicContact CD1-CD2 3.99Å; A1139-L1143 PolarHBondContact O-N 3.43Å; L1143-I1149 HydrophobicContact CB-CD1 3.92Å; L1143-I1149 HydrophobicContact CD1-CD1 4.03Å; L1143-R1153 PolarHBondContact O-NH2 3.07Å |
| 1144 | P | 46.2 | Very low | 49.5 | Very low | 71 Ų | 71 | 68.7 Ų | 68.7 | 46% | 0.461 | 33% | 0.326 | S | S | . | . | trans | -70.4 | 172.1 | -179.6 | 28.6 | -34.6 | 0 | 0 | 0 | 113.7 | F1074 N1146 | F1074-P1144 HydrophobicContact CD2-CG 3.91Å; F1074-P1144 HydrophobicContact CE2-CG 3.82Å; P1144-N1146 PolarHBondContact O-N 3.47Å; P1144-N1146 VanDerWaalsContact O-N 3.14Å | ||
| 1145 | Y | 43.1 | Very low | 49.9 | Very low | 118 Ų | 118 | 65.2 Ų | 65.2 | 46% | 0.463 | 31% | 0.308 | S | S | . | . | trans | -51 | 110.8 | -166.5 | -102.5 | -137.8 | 0 | 0 | 0 | 114.8 | M1009 T1013 E1016 K1150 | M1009-Y1145 HydrophobicContact CE-CD2 4.16Å; M1009-Y1145 HydrophobicContact CE-CE2 4.2Å; T1013-Y1145 HydrophobicContact CG2-CE2 3.75Å; T1013-Y1145 WeakPolarHBondContact CG2-OH 3.42Å; E1016-Y1145 PolarHBondContact OE2-OH 2.88Å; Y1145-K1150 PolarHBondContact OH-NZ 2.89Å | ||
| 1146 | N | 50.8 | Low | 50.4 | Low | 43 Ų | 43 | 62.9 Ų | 62.9 | 23% | 0.23 | 30% | 0.298 | C | S | . | . | trans | -138.5 | 138.8 | 161.9 | -173.5 | -31.1 | 0 | 0 | 0 | 110.2 | F1074 P1144 Q1148 I1149 K1150 | F1074-N1146 PolarHBondContact O-ND2 3.41Å; P1144-N1146 PolarHBondContact O-N 3.47Å; P1144-N1146 VanDerWaalsContact O-N 3.14Å; N1146-Q1148 VanDerWaalsContact C-N 3.28Å; N1146-Q1148 PolarHBondContact O-N 3.09Å; N1146-Q1148 PolarHBondContact OD1-N 3.42Å; N1146-I1149 HydrophobicContact CB-CD1 4.12Å; N1146-I1149 HydrophobicContact CB-CG1 4.25Å; N1146-I1149 PolarHBondContact O-N 3.08Å; N1146-K1150 PolarHBondContact O-N 3.45Å | ||
| 1147 | R | 48.5 | Very low | 50.7 | Low | 182 Ų | 182 | 64.8 Ų | 64.8 | 69% | 0.687 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -62.2 | -28.7 | -173.6 | -137.7 | 180 | -165 | -171 | 7 | 113.1 | S1055 | S1055-R1147 PolarHBondContact O-NH1 3.24Å; S1055-R1147 VanDerWaalsContact O-NH1 3.13Å; S1055-R1147 PolarHBondContact O-NH2 3.02Å |
| 1148 | Q | 46.4 | Very low | 51.2 | Low | 113 Ų | 113 | 61.8 Ų | 61.8 | 53% | 0.528 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -77.9 | -39.3 | 175.9 | -76.4 | 178.9 | -50.5 | 0 | 0 | 112.6 | N1076 N1146 K1150 K1151 S1152 | N1076-Q1148 PolarHBondContact ND2-OE1 2.85Å; N1076-Q1148 PolarHBondContact OD1-OE1 3.12Å; N1146-Q1148 VanDerWaalsContact C-N 3.28Å; N1146-Q1148 PolarHBondContact O-N 3.09Å; N1146-Q1148 PolarHBondContact OD1-N 3.42Å; Q1148-K1150 PolarHBondContact O-N 2.92Å; Q1148-K1151 WeakPolarHBondContact O-CB 3.47Å; Q1148-K1151 PolarHBondContact O-N 2.86Å; Q1148-S1152 PolarHBondContact O-N 3.34Å |
| 1149 | I | 52.2 | Low | 51.7 | Low | 15 Ų | 15 | 61.2 Ų | 61.2 | 8% | 0.077 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.4 | -32.4 | 177.2 | -59.3 | 178 | 0 | 0 | 0 | 111.2 | V1079 L1143 N1146 K1151 S1152 R1153 | V1079-I1149 HydrophobicContact CG2-CD1 4.08Å; L1143-I1149 HydrophobicContact CB-CD1 3.92Å; L1143-I1149 HydrophobicContact CD1-CD1 4.03Å; N1146-I1149 HydrophobicContact CB-CD1 4.12Å; N1146-I1149 HydrophobicContact CB-CG1 4.25Å; N1146-I1149 PolarHBondContact O-N 3.08Å; I1149-K1151 VanDerWaalsContact C-N 3.26Å; I1149-K1151 PolarHBondContact O-N 3.36Å; I1149-S1152 PolarHBondContact O-N 3.16Å; I1149-R1153 HydrophobicContact CG2-CG 4.39Å; I1149-R1153 WeakPolarHBondContact O-CG 3.46Å; I1149-R1153 PolarHBondContact O-N 3.33Å |
| 1150 | K | 51.3 | Low | 52 | Low | 78 Ų | 78 | 63.6 Ų | 63.6 | 34% | 0.339 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -58.3 | -33.4 | 171.3 | -70.9 | -163.5 | 176.3 | -169.3 | 0 | 112.6 | Y1145 N1146 Q1148 L1154 | Y1145-K1150 PolarHBondContact OH-NZ 2.89Å; N1146-K1150 PolarHBondContact O-N 3.45Å; Q1148-K1150 PolarHBondContact O-N 2.92Å; K1150-L1154 WeakPolarHBondContact O-CD1 3.37Å; K1150-L1154 WeakPolarHBondContact O-CG 3.34Å; K1150-L1154 PolarHBondContact O-N 2.84Å |
| 1151 | K | 52.3 | Low | 52.3 | Low | 118 Ų | 118 | 63.8 Ų | 63.8 | 51% | 0.513 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -70.8 | -44.8 | 173.3 | -72.6 | -169.4 | 171.6 | -168.6 | 0 | 112.3 | Q1148 I1149 R1153 L1154 I1155 L1244 | Q1148-K1151 WeakPolarHBondContact O-CB 3.47Å; Q1148-K1151 PolarHBondContact O-N 2.86Å; I1149-K1151 VanDerWaalsContact C-N 3.26Å; I1149-K1151 PolarHBondContact O-N 3.36Å; K1151-R1153 VanDerWaalsContact C-N 3.31Å; K1151-R1153 PolarHBondContact O-N 2.94Å; K1151-L1154 PolarHBondContact O-N 3.09Å; K1151-L1154 VanDerWaalsContact O-N 3.1Å; K1151-I1155 WeakPolarHBondContact O-CG1 3.19Å; K1151-I1155 PolarHBondContact O-N 2.99Å; K1151-L1244 HydrophobicContact CD-CD1 4.34Å |
| 1152 | S | 51.7 | Low | 52.6 | Low | 61 Ų | 61 | 59 Ų | 59 | 43% | 0.427 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61.4 | -39 | 178.7 | -48 | 0 | 0 | 0 | 0 | 112.2 | Q1148 I1149 I1155 L1156 | Q1148-S1152 PolarHBondContact O-N 3.34Å; I1149-S1152 PolarHBondContact O-N 3.16Å; S1152-I1155 PolarHBondContact O-N 3.13Å; S1152-L1156 PolarHBondContact O-N 2.94Å |
| 1153 | R | 56.7 | Low | 53 | Low | 56 Ų | 56 | 57.4 Ų | 57.4 | 21% | 0.211 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.3 | -35.6 | 173.8 | -67.9 | -177.2 | -169.1 | 164.2 | 8.9 | 112.6 | L1140 W1141 L1143 I1149 K1151 L1157 | L1140-R1153 PolarHBondContact O-NE 2.84Å; L1140-R1153 PolarHBondContact O-NH2 3.47Å; W1141-R1153 VanDerWaalsContact C-NH2 3.3Å; W1141-R1153 HydrophobicContact CD2-CG 4.44Å; W1141-R1153 HydrophobicContact CE3-CB 4.29Å; W1141-R1153 HydrophobicContact CE3-CG 3.86Å; W1141-R1153 HydrophobicContact CH2-CB 4.25Å; W1141-R1153 HydrophobicContact CZ3-CB 3.83Å; W1141-R1153 HydrophobicContact CZ3-CG 3.93Å; W1141-R1153 PolarHBondContact O-NH1 3.06Å; W1141-R1153 PolarHBondContact O-NH2 2.91Å; W1141-R1153 VanDerWaalsContact O-NH2 3.07Å; L1143-R1153 PolarHBondContact O-NH2 3.07Å; I1149-R1153 HydrophobicContact CG2-CG 4.39Å; I1149-R1153 WeakPolarHBondContact O-CG 3.46Å; I1149-R1153 PolarHBondContact O-N 3.33Å; K1151-R1153 VanDerWaalsContact C-N 3.31Å; K1151-R1153 PolarHBondContact O-N 2.94Å; R1153-L1157 VanDerWaalsContact O-CB 3.26Å; R1153-L1157 WeakPolarHBondContact O-CB 3.39Å; R1153-L1157 PolarHBondContact O-N 3.04Å |
| 1154 | L | 56.8 | Low | 53.1 | Low | 38 Ų | 38 | 56.8 Ų | 56.8 | 20% | 0.199 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -70.9 | -35.4 | 174.3 | -75.8 | 163.1 | 0 | 0 | 0 | 113 | K1150 K1151 L1157 G1158 F1234 F1238 V1241 | K1150-L1154 WeakPolarHBondContact O-CD1 3.37Å; K1150-L1154 WeakPolarHBondContact O-CG 3.34Å; K1150-L1154 PolarHBondContact O-N 2.84Å; K1151-L1154 PolarHBondContact O-N 3.09Å; K1151-L1154 VanDerWaalsContact O-N 3.1Å; L1154-L1157 HydrophobicContact CD2-CD2 4.4Å; L1154-L1157 PolarHBondContact O-N 3.25Å; L1154-G1158 PolarHBondContact O-N 3.1Å; L1154-F1234 HydrophobicContact CD2-CZ 4.16Å; L1154-F1238 HydrophobicContact CD2-CD1 4.42Å; L1154-F1238 HydrophobicContact CD2-CG 4.36Å; L1154-V1241 HydrophobicContact CB-CG2 4.4Å; L1154-V1241 HydrophobicContact CD1-CG2 3.88Å; L1154-V1241 HydrophobicContact CD2-CG2 4.41Å; L1154-V1241 HydrophobicContact CG-CG2 4.46Å |
| 1155 | I | 56.7 | Low | 53.5 | Low | 34 Ų | 34 | 53.4 Ų | 53.4 | 17% | 0.174 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.6 | -48.1 | 173.7 | -70.7 | 165.5 | 0 | 0 | 0 | 110.5 | K1151 S1152 L1157 G1158 F1159 L1244 I1248 | K1151-I1155 WeakPolarHBondContact O-CG1 3.19Å; K1151-I1155 PolarHBondContact O-N 2.99Å; S1152-I1155 PolarHBondContact O-N 3.13Å; I1155-L1157 PolarHBondContact O-N 2.96Å; I1155-G1158 PolarHBondContact O-N 3.48Å; I1155-F1159 PolarHBondContact O-N 3.04Å; I1155-L1244 HydrophobicContact CD1-CD1 4.28Å; I1155-L1244 HydrophobicContact CD1-CD2 4.24Å; I1155-L1244 HydrophobicContact CG1-CD1 4.31Å; I1155-I1248 HydrophobicContact CG1-CD1 4.24Å; I1155-I1248 HydrophobicContact CG1-CG1 4.38Å; I1155-I1248 HydrophobicContact CG2-CG1 4.28Å |
| 1156 | L | 56 | Low | 54 | Low | 49 Ų | 49 | 48.2 Ų | 48.2 | 26% | 0.257 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -60.5 | -43.9 | 175 | -78 | 161.5 | 0 | 0 | 0 | 112.1 | M1137 S1152 G1158 F1159 I1160 | M1137-L1156 HydrophobicContact CE-CD1 3.84Å; M1137-L1156 HydrophobicContact CE-CD2 3.91Å; M1137-L1156 HydrophobicContact SD-CD2 3.75Å; S1152-L1156 PolarHBondContact O-N 2.94Å; L1156-G1158 VanDerWaalsContact C-N 3.33Å; L1156-G1158 PolarHBondContact O-N 3.2Å; L1156-F1159 PolarHBondContact O-N 2.81Å; L1156-I1160 VanDerWaalsContact O-CG1 3.31Å; L1156-I1160 WeakPolarHBondContact O-CG1 3.21Å; L1156-I1160 PolarHBondContact O-N 3.34Å; L1156-I1160 VanDerWaalsContact O-N 3.07Å |
| 1157 | L | 55.8 | Low | 53.9 | Low | 40 Ų | 40 | 50.9 Ų | 50.9 | 21% | 0.209 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.4 | -43.8 | 175.7 | -173.9 | 66.4 | 0 | 0 | 0 | 111.4 | Y961 R1153 L1154 I1155 L1161 F1234 | Y961-L1157 WeakPolarHBondContact OH-CD1 3.35Å; R1153-L1157 VanDerWaalsContact O-CB 3.26Å; R1153-L1157 WeakPolarHBondContact O-CB 3.39Å; R1153-L1157 PolarHBondContact O-N 3.04Å; L1154-L1157 HydrophobicContact CD2-CD2 4.4Å; L1154-L1157 PolarHBondContact O-N 3.25Å; I1155-L1157 PolarHBondContact O-N 2.96Å; L1157-L1161 HydrophobicContact CG-CD1 4.18Å; L1157-L1161 WeakPolarHBondContact O-CB 3.15Å; L1157-L1161 WeakPolarHBondContact O-CD1 3.34Å; L1157-L1161 VanDerWaalsContact O-CG 3.22Å; L1157-L1161 WeakPolarHBondContact O-CG 2.85Å; L1157-L1161 PolarHBondContact O-N 2.95Å; L1157-F1234 HydrophobicContact CB-CZ 4.49Å; L1157-F1234 HydrophobicContact CD2-CE2 3.91Å; L1157-F1234 HydrophobicContact CD2-CZ 4.23Å; L1157-F1234 HydrophobicContact CG-CE2 4.14Å; L1157-F1234 HydrophobicContact CG-CZ 4.4Å |
| 1158 | G | 58.4 | Low | 53.9 | Low | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.9 | -40.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | L1154 I1155 L1156 L1161 C1162 M1231 | L1154-G1158 PolarHBondContact O-N 3.1Å; I1155-G1158 PolarHBondContact O-N 3.48Å; L1156-G1158 VanDerWaalsContact C-N 3.33Å; L1156-G1158 PolarHBondContact O-N 3.2Å; G1158-L1161 PolarHBondContact O-N 3.18Å; G1158-C1162 PolarHBondContact O-N 3.18Å; G1158-M1231 VanDerWaalsContact O-CE 3.28Å; G1158-M1231 WeakPolarHBondContact O-CE 3.44Å |
| 1159 | F | 56.7 | Low | 53.9 | Low | 19 Ų | 19 | 37.8 Ų | 37.8 | 8% | 0.083 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.8 | -50.7 | 176.2 | -116.6 | -89.4 | 0 | 0 | 0 | 112.1 | I1155 L1156 L1161 C1162 D1163 I1248 L1251 W1252 | I1155-F1159 PolarHBondContact O-N 3.04Å; L1156-F1159 PolarHBondContact O-N 2.81Å; F1159-L1161 VanDerWaalsContact C-N 3.28Å; F1159-L1161 PolarHBondContact O-N 3.28Å; F1159-C1162 PolarHBondContact O-N 3.04Å; F1159-D1163 PolarHBondContact O-N 3.43Å; F1159-I1248 HydrophobicContact CD2-CG2 3.87Å; F1159-I1248 HydrophobicContact CE2-CG2 4.33Å; F1159-L1251 HydrophobicContact CE2-CB 3.86Å; F1159-L1251 HydrophobicContact CZ-CB 3.73Å; F1159-W1252 HydrophobicContact CD1-CB 4.37Å; F1159-W1252 AromaticContact CD1-CD1 3.88Å; F1159-W1252 HydrophobicContact CE1-CB 3.92Å; F1159-W1252 AromaticContact CE1-CD1 3.97Å; F1159-W1252 HydrophobicContact CE1-CG 4.4Å; F1159-W1252 HydrophobicContact CZ-CB 4.01Å |
| 1160 | I | 55.1 | Low | 53.4 | Low | 66 Ų | 66 | 41 Ų | 41 | 34% | 0.338 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -66.7 | -32.3 | -178.8 | -56 | 161.1 | 0 | 0 | 0 | 110.8 | Y961 L1156 S1164 | Y961-I1160 HydrophobicContact CD2-CG2 3.75Å; Y961-I1160 HydrophobicContact CE2-CB 3.94Å; Y961-I1160 HydrophobicContact CE2-CG2 3.39Å; L1156-I1160 VanDerWaalsContact O-CG1 3.31Å; L1156-I1160 WeakPolarHBondContact O-CG1 3.21Å; L1156-I1160 PolarHBondContact O-N 3.34Å; L1156-I1160 VanDerWaalsContact O-N 3.07Å; I1160-S1164 WeakPolarHBondContact O-CB 3.26Å; I1160-S1164 PolarHBondContact O-N 3.08Å; I1160-S1164 PolarHBondContact O-OG 3.03Å |
| 1161 | L | 55.1 | Low | 53 | Low | 43 Ų | 43 | 45 Ų | 45 | 23% | 0.225 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.5 | -43.2 | 172.6 | -75.3 | 168.7 | 0 | 0 | 0 | 112.4 | Y961 L1157 G1158 F1159 S1164 A1165 V1230 F1234 | Y961-L1161 HydrophobicContact CD2-CD2 4.27Å; Y961-L1161 HydrophobicContact CE2-CD2 4.4Å; L1157-L1161 HydrophobicContact CG-CD1 4.18Å; L1157-L1161 WeakPolarHBondContact O-CB 3.15Å; L1157-L1161 WeakPolarHBondContact O-CD1 3.34Å; L1157-L1161 VanDerWaalsContact O-CG 3.22Å; L1157-L1161 WeakPolarHBondContact O-CG 2.85Å; L1157-L1161 PolarHBondContact O-N 2.95Å; G1158-L1161 PolarHBondContact O-N 3.18Å; F1159-L1161 VanDerWaalsContact C-N 3.28Å; F1159-L1161 PolarHBondContact O-N 3.28Å; L1161-S1164 PolarHBondContact O-OG 3.22Å; L1161-A1165 WeakPolarHBondContact O-CB 3.19Å; L1161-A1165 PolarHBondContact O-N 3.47Å; L1161-V1230 HydrophobicContact CB-CG1 4.3Å; L1161-F1234 HydrophobicContact CD1-CD2 3.67Å; L1161-F1234 HydrophobicContact CD1-CE2 3.69Å |
| 1162 | C | 59 | Low | 52.5 | Low | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.6 | -42.1 | 174 | -77.1 | 0 | 0 | 0 | 0 | 112.7 | G1158 F1159 A1165 A1166 C1227 M1231 W1252 | G1158-C1162 PolarHBondContact O-N 3.18Å; F1159-C1162 PolarHBondContact O-N 3.04Å; C1162-A1165 WeakPolarHBondContact O-CB 3.3Å; C1162-A1165 PolarHBondContact O-N 3.26Å; C1162-A1166 PolarHBondContact O-N 3.01Å; C1162-C1227 PolarHBondContact O-SG 3.3Å; C1162-M1231 WeakPolarHBondContact SG-CE 3.17Å; C1162-W1252 HydrophobicContact CB-CD2 3.66Å; C1162-W1252 HydrophobicContact CB-CE3 4.27Å; C1162-W1252 HydrophobicContact CB-CG 3.78Å; C1162-W1252 HydrophobicContact CB-CZ2 4.33Å |
| 1163 | D | 55.5 | Low | 51.7 | Low | 40 Ų | 40 | 43 Ų | 43 | 21% | 0.214 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -58.5 | -50.5 | 174.8 | -88.9 | -14.7 | 0 | 0 | 0 | 111.7 | F1159 A1165 A1166 E1167 W1252 R1256 | F1159-D1163 PolarHBondContact O-N 3.43Å; D1163-A1165 PolarHBondContact O-N 2.93Å; D1163-A1166 PolarHBondContact O-N 3.14Å; D1163-E1167 WeakPolarHBondContact O-CB 3.46Å; D1163-E1167 PolarHBondContact O-N 3.02Å; D1163-W1252 PolarHBondContact OD1-NE1 3.43Å; D1163-R1256 IonicContact OD1-CZ 3.49Å; D1163-R1256 IonicContact OD1-NE 2.76Å; D1163-R1256 PolarHBondContact OD1-NE 3.48Å; D1163-R1256 IonicContact OD1-NH2 2.83Å; D1163-R1256 PolarHBondContact OD1-NH2 2.92Å; D1163-R1256 VanDerWaalsContact OD1-NH2 3.12Å; D1163-R1256 IonicContact OD2-CZ 3.12Å; D1163-R1256 IonicContact OD2-NE 3.19Å; D1163-R1256 IonicContact OD2-NH2 2.77Å; D1163-R1256 PolarHBondContact OD2-NH2 2.99Å |
| 1164 | S | 51.2 | Low | 50.5 | Low | 8 Ų | 8 | 47 Ų | 47 | 6% | 0.056 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.4 | -25.1 | 178.2 | 73.5 | 0 | 0 | 0 | 0 | 113 | S957 I1160 L1161 T1168 | S957-S1164 WeakPolarHBondContact CA-O 3.22Å; S957-S1164 WeakPolarHBondContact CB-O 3.47Å; S957-S1164 WeakPolarHBondContact O-CB 3.45Å; S957-S1164 PolarHBondContact O-OG 2.88Å; S957-S1164 PolarHBondContact OG-O 3.4Å; I1160-S1164 WeakPolarHBondContact O-CB 3.26Å; I1160-S1164 PolarHBondContact O-N 3.08Å; I1160-S1164 PolarHBondContact O-OG 3.03Å; L1161-S1164 PolarHBondContact O-OG 3.22Å; S1164-T1168 VanDerWaalsContact O-CG2 3.25Å; S1164-T1168 WeakPolarHBondContact O-CG2 3.38Å; S1164-T1168 PolarHBondContact O-OG1 3.43Å |
| 1165 | A | 53.8 | Low | 49.5 | Very low | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -73.7 | -43.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | S957 L1161 C1162 D1163 T1168 L1226 V1230 | S957-A1165 WeakPolarHBondContact OG-CA 3.37Å; L1161-A1165 WeakPolarHBondContact O-CB 3.19Å; L1161-A1165 PolarHBondContact O-N 3.47Å; C1162-A1165 WeakPolarHBondContact O-CB 3.3Å; C1162-A1165 PolarHBondContact O-N 3.26Å; D1163-A1165 PolarHBondContact O-N 2.93Å; A1165-T1168 PolarHBondContact O-OG1 3.06Å; A1165-L1226 HydrophobicContact CB-CD2 4.14Å; A1165-V1230 HydrophobicContact CB-CG2 4.05Å |
| 1166 | A | 53.4 | Low | 48.3 | Very low | 10 Ų | 10 | 54 Ų | 54 | 8% | 0.083 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -75.4 | -40.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | C1162 D1163 T1168 L1169 L1170 A1223 W1252 | C1162-A1166 PolarHBondContact O-N 3.01Å; D1163-A1166 PolarHBondContact O-N 3.14Å; A1166-T1168 PolarHBondContact O-N 3.37Å; A1166-L1169 PolarHBondContact O-N 3.12Å; A1166-L1170 PolarHBondContact O-N 3.4Å; A1166-L1170 VanDerWaalsContact O-N 3.08Å; A1166-A1223 HydrophobicContact CB-CB 4.31Å; A1166-W1252 HydrophobicContact CB-CH2 3.6Å; A1166-W1252 HydrophobicContact CB-CZ2 3.44Å; A1166-W1252 VanDerWaalsContact CB-CZ2 3.44Å |
| 1167 | E | 48.5 | Very low | 47.1 | Very low | 98 Ų | 98 | 61.9 Ų | 61.9 | 46% | 0.458 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -52.1 | -39.8 | 173.2 | -176.2 | 178.7 | -136.4 | 0 | 0 | 110.9 | T960 D1163 L1169 L1170 H1171 | T960-E1167 WeakPolarHBondContact CB-OE2 3.49Å; T960-E1167 WeakPolarHBondContact CG2-OE2 3.39Å; D1163-E1167 WeakPolarHBondContact O-CB 3.46Å; D1163-E1167 PolarHBondContact O-N 3.02Å; E1167-L1169 VanDerWaalsContact C-N 3.3Å; E1167-L1169 PolarHBondContact O-N 3.24Å; E1167-L1170 PolarHBondContact O-N 3.41Å; E1167-H1171 PolarHBondContact O-N 2.89Å |
| 1168 | T | 49.7 | Very low | 45.8 | Very low | 6 Ų | 6 | 66.8 Ų | 66.8 | 4% | 0.037 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -78.3 | -6.3 | -178.6 | 57.2 | 0 | 0 | 0 | 0 | 115.8 | I956 S957 T960 S1164 A1165 A1166 | I956-T1168 HydrophobicContact CB-CG2 3.83Å; I956-T1168 HydrophobicContact CG2-CG2 3.46Å; I956-T1168 VanDerWaalsContact CG2-CG2 3.46Å; S957-T1168 PolarHBondContact OG-OG1 2.91Å; T960-T1168 HydrophobicContact CG2-CG2 3.93Å; S1164-T1168 VanDerWaalsContact O-CG2 3.25Å; S1164-T1168 WeakPolarHBondContact O-CG2 3.38Å; S1164-T1168 PolarHBondContact O-OG1 3.43Å; A1165-T1168 PolarHBondContact O-OG1 3.06Å; A1166-T1168 PolarHBondContact O-N 3.37Å |
| 1169 | L | 46.5 | Very low | 44.3 | Very low | 14 Ų | 14 | 73.8 Ų | 73.8 | 7% | 0.073 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -106.6 | -19.7 | 173.1 | -125.5 | 157 | 0 | 0 | 0 | 112.6 | A1166 E1167 H1171 S1172 R1222 A1223 L1226 | A1166-L1169 PolarHBondContact O-N 3.12Å; E1167-L1169 VanDerWaalsContact C-N 3.3Å; E1167-L1169 PolarHBondContact O-N 3.24Å; L1169-H1171 VanDerWaalsContact C-N 3.33Å; L1169-S1172 WeakPolarHBondContact CD2-OG 3.19Å; L1169-S1172 PolarHBondContact O-N 3.39Å; L1169-S1172 PolarHBondContact O-OG 3.49Å; L1169-R1222 HydrophobicContact CD1-CB 4.07Å; L1169-R1222 HydrophobicContact CD2-CB 3.67Å; L1169-A1223 HydrophobicContact CB-CB 4.23Å; L1169-L1226 HydrophobicContact CD1-CB 3.92Å; L1169-L1226 HydrophobicContact CD1-CD2 4.03Å; L1169-L1226 HydrophobicContact CD1-CG 4.38Å |
| 1170 | L | 41.1 | Very low | 43.1 | Very low | 84 Ų | 84 | 79 Ų | 79 | 44% | 0.44 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -67.3 | -34.9 | 166.1 | -79 | 161.3 | 0 | 0 | 0 | 112.1 | A1166 E1167 S1172 Y1258 | A1166-L1170 PolarHBondContact O-N 3.4Å; A1166-L1170 VanDerWaalsContact O-N 3.08Å; E1167-L1170 PolarHBondContact O-N 3.41Å; L1170-S1172 VanDerWaalsContact C-N 3.3Å; L1170-S1172 PolarHBondContact O-N 2.84Å; L1170-Y1258 WeakPolarHBondContact CD2-OH 2.88Å |
| 1171 | H | 43.8 | Very low | 41.8 | Very low | 161 Ų | 161 | 83.7 Ų | 83.7 | 75% | 0.745 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | 3.6 | 174.2 | -78.9 | -63.3 | 0 | 0 | 0 | 115.1 | E1167 L1169 | E1167-H1171 PolarHBondContact O-N 2.89Å; L1169-H1171 VanDerWaalsContact C-N 3.33Å |
| 1172 | S | 41.8 | Very low | 40.3 | Very low | 62 Ų | 62 | 87.1 Ų | 87.1 | 43% | 0.434 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.2 | 26 | -175.9 | 80.9 | 0 | 0 | 0 | 0 | 114.1 | L1169 L1170 | L1169-S1172 WeakPolarHBondContact CD2-OG 3.19Å; L1169-S1172 PolarHBondContact O-N 3.39Å; L1169-S1172 PolarHBondContact O-OG 3.49Å; L1170-S1172 VanDerWaalsContact C-N 3.3Å; L1170-S1172 PolarHBondContact O-N 2.84Å |
| 1173 | N | 33.6 | Very low | 38.9 | Very low | 75 Ų | 75 | 93.5 Ų | 93.5 | 40% | 0.401 | 48% | 0.478 | S | S | . | . | trans | -114.5 | -3.2 | -173.6 | -129.6 | 70 | 0 | 0 | 0 | 114.6 | D1175 S1219 | N1173-D1175 VanDerWaalsContact C-N 3.32Å; N1173-D1175 PolarHBondContact O-N 2.84Å; N1173-S1219 WeakPolarHBondContact OD1-CB 2.94Å | ||
| 1174 | D | 33 | Very low | 37.6 | Very low | 140 Ų | 140 | 98.8 Ų | 98.8 | 75% | 0.749 | 50% | 0.501 | S | S | * | . | S | Bend | trans | -91.6 | 43.2 | 175.8 | -66.7 | -33.9 | 0 | 0 | 0 | 112.4 | N726 | N726-D1174 PolarHBondContact ND2-O 2.73Š|
| 1175 | D | 34.1 | Very low | 36.3 | Very low | 108 Ų | 108 | 103 Ų | 103 | 58% | 0.578 | 52% | 0.523 | S | S | * | . | trans | -176 | 94 | 157.4 | -96.4 | -32.7 | 0 | 0 | 0 | 111.9 | N726 N1173 | N726-D1175 WeakPolarHBondContact CB-OD2 3.04Å; N726-D1175 PolarHBondContact ND2-OD2 2.83Å; N1173-D1175 VanDerWaalsContact C-N 3.32Å; N1173-D1175 PolarHBondContact O-N 2.84Å | ||
| 1176 | E | 32.5 | Very low | 35 | Very low | 112 Ų | 112 | 110.8 Ų | 110.8 | 52% | 0.523 | 56% | 0.559 | S | S | . | * | trans | -143.8 | 57.8 | 167.5 | -159.5 | 166.2 | -102.9 | 0 | 0 | 112.7 | R1222 | E1176-R1222 IonicContact OE1-CZ 3.2Å; E1176-R1222 IonicContact OE1-NH1 3.2Å; E1176-R1222 PolarHBondContact OE1-NH1 2.82Å; E1176-R1222 IonicContact OE1-NH2 3.42Å; E1176-R1222 PolarHBondContact OE1-NH2 2.65Å; E1176-R1222 IonicContact OE2-CZ 2.72Å; E1176-R1222 IonicContact OE2-NH1 3.95Å; E1176-R1222 PolarHBondContact OE2-NH1 3.11Å; E1176-R1222 IonicContact OE2-NH2 2.73Å; E1176-R1222 PolarHBondContact OE2-NH2 2.91Å | ||
| 1177 | Y | 30.1 | Very low | 33.6 | Very low | 214 Ų | 214 | 114.8 Ų | 114.8 | 84% | 0.839 | 58% | 0.583 | S | S | * | * | trans | -150.6 | 79.7 | 161.2 | -106 | -72.9 | 0 | 0 | 0 | 113.3 | ||||
| 1178 | L | 29.8 | Very low | 32.5 | Very low | 143 Ų | 143 | 117 Ų | 117 | 75% | 0.749 | 60% | 0.597 | S | S | * | * | -166.8 | 87.9 | 119.6 | -126.6 | 72.7 | 0 | 0 | 0 | 111.3 | |||||
| 1179 | N | 27.1 | Very low | 31.4 | Very low | 146 Ų | 146 | 125.1 Ų | 125.1 | 78% | 0.781 | 64% | 0.639 | S | S | * | * | trans | -73.3 | 174.8 | 134.2 | -79.7 | -28.7 | 0 | 0 | 0 | 108.2 | ||||
| 1180 | D | 29.9 | Very low | 30.4 | Very low | 129 Ų | 129 | 129.3 Ų | 129.3 | 69% | 0.69 | 67% | 0.669 | S | S | * | * | trans | 89.1 | 62.5 | 174.4 | -46.9 | -9.3 | 0 | 0 | 0 | 115.7 | ||||
| 1181 | L | 27.6 | Very low | 29.7 | Very low | 165 Ų | 165 | 132.4 Ų | 132.4 | 86% | 0.864 | 69% | 0.686 | S | S | * | * | S | Bend | -156.5 | 76.9 | 110.7 | -139 | 84.6 | 0 | 0 | 0 | 114 | |||
| 1182 | L | 25.4 | Very low | 28.7 | Very low | 115 Ų | 115 | 131.1 Ų | 131.1 | 60% | 0.602 | 69% | 0.685 | S | S | * | * | trans | -145.5 | 62.8 | 131.9 | -92 | -167.9 | 0 | 0 | 0 | 108.1 | ||||
| 1183 | D | 29 | Very low | 27.9 | Very low | 134 Ų | 134 | 134.2 Ų | 134.2 | 72% | 0.717 | 70% | 0.697 | S | S | * | * | trans | -81.9 | 163.9 | 146.8 | -135.5 | -15.3 | 0 | 0 | 0 | 108.4 | ||||
| 1184 | Q | 27.1 | Very low | 27.5 | Very low | 151 Ų | 151 | 137.2 Ų | 137.2 | 71% | 0.706 | 71% | 0.712 | S | S | * | * | trans | 68.2 | 121.1 | -169.8 | -54.7 | -159.8 | -78 | 0 | 0 | 116.4 | ||||
| 1185 | D | 25.7 | Very low | 27.1 | Very low | 95 Ų | 95 | 137.1 Ų | 137.1 | 51% | 0.508 | 71% | 0.712 | S | S | . | * | cis | -155.7 | 141.8 | -6.9 | -102.6 | -43.2 | 0 | 0 | 0 | 109.3 | ||||
| 1186 | H | 24.8 | Very low | 26.6 | Very low | 165 Ų | 165 | 138.9 Ų | 138.9 | 76% | 0.764 | 72% | 0.721 | S | S | * | * | -175.9 | 116.4 | 95.7 | -93.6 | -62.5 | 0 | 0 | 0 | 112.8 | |||||
| 1187 | T | 25.1 | Very low | 26.3 | Very low | 94 Ų | 94 | 140.9 Ų | 140.9 | 58% | 0.577 | 74% | 0.735 | S | S | * | * | trans | 1.8 | 132.9 | 137.6 | 51.1 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1188 | D | 25.5 | Very low | 26.2 | Very low | 143 Ų | 143 | 136.8 Ų | 136.8 | 77% | 0.765 | 73% | 0.732 | S | S | * | * | trans | 65.6 | 117.4 | 143.3 | -51.5 | -23.7 | 0 | 0 | 0 | 120.5 | ||||
| 1189 | I | 26.4 | Very low | 26.2 | Very low | 178 Ų | 178 | 137.2 Ų | 137.2 | 91% | 0.913 | 74% | 0.735 | S | S | * | * | trans | -123.7 | 102.2 | 141.7 | -58.2 | -179.7 | 0 | 0 | 0 | 107.2 | ||||
| 1190 | S | 24.9 | Very low | 26.2 | Very low | 101 Ų | 101 | 135 Ų | 135 | 71% | 0.706 | 73% | 0.731 | S | S | * | * | trans | -101.6 | 168.8 | 165 | 63 | 0 | 0 | 0 | 0 | 109.9 | N1192 | S1190-N1192 PolarHBondContact O-N 2.81Š| ||
| 1191 | N | 25.7 | Very low | 26.2 | Very low | 150 Ų | 150 | 135.7 Ų | 135.7 | 80% | 0.802 | 73% | 0.734 | S | S | * | * | trans | -50.2 | 121.4 | -173.2 | -64.1 | -22.8 | 0 | 0 | 0 | 113.5 | ||||
| 1192 | N | 24.6 | Very low | 26.5 | Very low | 133 Ų | 133 | 131.6 Ų | 131.6 | 71% | 0.711 | 73% | 0.732 | S | S | * | * | -171.4 | 126 | 106.2 | -91.8 | -26.2 | 0 | 0 | 0 | 114.5 | S1190 | S1190-N1192 PolarHBondContact O-N 2.81Š| |||
| 1193 | N | 24.5 | Very low | 27.1 | Very low | 128 Ų | 128 | 133.8 Ų | 133.8 | 68% | 0.684 | 74% | 0.737 | S | S | * | * | trans | 73.3 | 127.9 | 135.8 | -58.7 | -11.4 | 0 | 0 | 0 | 122.1 | ||||
| 1194 | N | 25.9 | Very low | 27.4 | Very low | 137 Ų | 137 | 130 Ų | 130 | 73% | 0.733 | 72% | 0.718 | S | S | * | * | trans | 86.4 | 91.7 | 144.5 | -58.8 | -1.3 | 0 | 0 | 0 | 120.4 | ||||
| 1195 | N | 24.3 | Very low | 27.9 | Very low | 139 Ų | 139 | 130.7 Ų | 130.7 | 74% | 0.743 | 72% | 0.722 | S | S | * | * | 71 | 146.5 | 120.7 | -63.1 | 16.7 | 0 | 0 | 0 | 122.9 | |||||
| 1196 | D | 23.5 | Very low | 28.4 | Very low | 144 Ų | 144 | 130.5 Ų | 130.5 | 77% | 0.77 | 72% | 0.724 | S | S | * | * | trans | 85.3 | 116.1 | 156 | -59.2 | -15.1 | 0 | 0 | 0 | 121.8 | ||||
| 1197 | L | 25.4 | Very low | 29 | Very low | 155 Ų | 155 | 126.2 Ų | 126.2 | 81% | 0.812 | 71% | 0.71 | S | S | * | * | trans | 81.4 | 96.3 | 158.3 | -83.3 | 81.3 | 0 | 0 | 0 | 123.3 | ||||
| 1198 | V | 28.7 | Very low | 29.5 | Very low | 127 Ų | 127 | 127.3 Ų | 127.3 | 77% | 0.77 | 71% | 0.708 | S | S | * | * | 81.3 | 102.4 | 112.6 | 171.4 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 1199 | N | 29.9 | Very low | 30 | Very low | 152 Ų | 152 | 127.4 Ų | 127.4 | 81% | 0.813 | 71% | 0.706 | S | S | * | * | trans | 93.6 | 146.5 | 131.2 | -123.5 | -26.6 | 0 | 0 | 0 | 125.4 | ||||
| 1200 | S | 27.2 | Very low | 30.7 | Very low | 99 Ų | 99 | 121.7 Ų | 121.7 | 69% | 0.692 | 68% | 0.676 | S | S | * | * | trans | 84.5 | 54.6 | 156.3 | 76.2 | 0 | 0 | 0 | 0 | 122.2 | G1202 | S1200-G1202 PolarHBondContact O-N 3.45Š| ||
| 1201 | N | 29.4 | Very low | 31.4 | Very low | 144 Ų | 144 | 120 Ų | 120 | 77% | 0.77 | 66% | 0.66 | S | S | * | * | trans | -97 | 34.7 | 177.3 | -113.3 | -14.9 | 0 | 0 | 0 | 117.3 | K1203 V1204 | N1201-K1203 VanDerWaalsContact C-N 3.29Å; N1201-K1203 PolarHBondContact O-N 2.62Å; N1201-V1204 HydrophobicContact CB-CG2 4.49Å; N1201-V1204 WeakPolarHBondContact OD1-CG2 3.4Å | ||
| 1202 | G | 33.9 | Very low | 32 | Very low | 80 Ų | 80 | 119.3 Ų | 119.3 | 83% | 0.825 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.5 | 7.7 | 179 | 0 | 0 | 0 | 0 | 0 | 116.9 | S1200 | S1200-G1202 PolarHBondContact O-N 3.45Š|
| 1203 | K | 38.3 | Very low | 32.8 | Very low | 161 Ų | 161 | 115 Ų | 115 | 70% | 0.7 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.3 | 0.3 | -172.9 | -75.1 | 179.2 | 176.1 | 172.6 | 0 | 115.1 | N1201 T1207 | N1201-K1203 VanDerWaalsContact C-N 3.29Å; N1201-K1203 PolarHBondContact O-N 2.62Å; K1203-T1207 PolarHBondContact O-OG1 3.11Å |
| 1204 | V | 35.2 | Very low | 33.7 | Very low | 53 Ų | 53 | 113.8 Ų | 113.8 | 32% | 0.321 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -84 | -45.8 | -164.4 | 177.3 | 0 | 0 | 0 | 0 | 113 | N1201 T1206 T1207 Q1208 | N1201-V1204 HydrophobicContact CB-CG2 4.49Å; N1201-V1204 WeakPolarHBondContact OD1-CG2 3.4Å; V1204-T1206 PolarHBondContact O-N 3.31Å; V1204-T1207 PolarHBondContact O-N 2.8Å; V1204-Q1208 HydrophobicContact CG1-CG 4.05Å; V1204-Q1208 WeakPolarHBondContact O-CG 3.29Å; V1204-Q1208 PolarHBondContact O-N 2.77Å; V1204-Q1208 VanDerWaalsContact O-N 3.1Å |
| 1205 | Q | 35.9 | Very low | 34.4 | Very low | 167 Ų | 167 | 110.7 Ų | 110.7 | 78% | 0.78 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -63.6 | -40 | -171.4 | -72.4 | -179.5 | -17.8 | 0 | 0 | 114.6 | T1207 M1209 | Q1205-T1207 VanDerWaalsContact C-N 3.31Å; Q1205-T1207 PolarHBondContact O-N 3.32Å; Q1205-M1209 PolarHBondContact O-N 3.2Å; Q1205-M1209 VanDerWaalsContact O-N 3.14Å |
| 1206 | T | 37.2 | Very low | 35.1 | Very low | 90 Ų | 90 | 105.8 Ų | 105.8 | 55% | 0.552 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -67.4 | -30.5 | -179.9 | 11.1 | 0 | 0 | 0 | 0 | 113.1 | V1204 I1210 | V1204-T1206 PolarHBondContact O-N 3.31Å; T1206-I1210 WeakPolarHBondContact O-CG1 3.18Å |
| 1207 | T | 37.3 | Very low | 36.1 | Very low | 76 Ų | 76 | 106.4 Ų | 106.4 | 47% | 0.466 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -79.7 | -46.3 | 178.8 | -41.1 | 0 | 0 | 0 | 0 | 110.2 | K1203 V1204 Q1205 M1209 I1210 D1211 | K1203-T1207 PolarHBondContact O-OG1 3.11Å; V1204-T1207 PolarHBondContact O-N 2.8Å; Q1205-T1207 VanDerWaalsContact C-N 3.31Å; Q1205-T1207 PolarHBondContact O-N 3.32Å; T1207-M1209 VanDerWaalsContact C-N 3.3Å; T1207-M1209 PolarHBondContact O-N 2.78Å; T1207-I1210 PolarHBondContact O-N 3.26Å; T1207-D1211 PolarHBondContact O-N 2.7Å; T1207-D1211 VanDerWaalsContact O-N 3.09Å |
| 1208 | Q | 35 | Very low | 37.2 | Very low | 117 Ų | 117 | 100 Ų | 100 | 55% | 0.547 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -58.3 | -37.4 | 178.1 | -75.3 | 179.8 | -25.9 | 0 | 0 | 113.1 | V1204 D1211 H1212 | V1204-Q1208 HydrophobicContact CG1-CG 4.05Å; V1204-Q1208 WeakPolarHBondContact O-CG 3.29Å; V1204-Q1208 PolarHBondContact O-N 2.77Å; V1204-Q1208 VanDerWaalsContact O-N 3.1Å; Q1208-D1211 PolarHBondContact O-N 3.15Å; Q1208-H1212 PolarHBondContact O-N 3.04Å |
| 1209 | M | 36.3 | Very low | 38.2 | Very low | 144 Ų | 144 | 95.4 Ų | 95.4 | 71% | 0.709 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.3 | -39.7 | 174.5 | -104.8 | -171.4 | 173.1 | 0 | 0 | 112.9 | Q1205 T1207 H1212 I1213 | Q1205-M1209 PolarHBondContact O-N 3.2Å; Q1205-M1209 VanDerWaalsContact O-N 3.14Å; T1207-M1209 VanDerWaalsContact C-N 3.3Å; T1207-M1209 PolarHBondContact O-N 2.78Å; M1209-H1212 PolarHBondContact O-N 2.92Å; M1209-I1213 WeakPolarHBondContact O-CD1 3.11Å; M1209-I1213 WeakPolarHBondContact O-CG1 3.04Å; M1209-I1213 PolarHBondContact O-N 3.13Å |
| 1210 | I | 40.6 | Very low | 39.1 | Very low | 58 Ų | 58 | 89.3 Ų | 89.3 | 30% | 0.297 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -70.4 | -35.7 | -180 | -62.8 | 174.4 | 0 | 0 | 0 | 111.1 | T1206 T1207 I1213 K1214 | T1206-I1210 WeakPolarHBondContact O-CG1 3.18Å; T1207-I1210 PolarHBondContact O-N 3.26Å; I1210-I1213 PolarHBondContact O-N 3.3Å; I1210-K1214 PolarHBondContact O-N 3.27Å |
| 1211 | D | 39.6 | Very low | 40.3 | Very low | 66 Ų | 66 | 86.1 Ų | 86.1 | 35% | 0.353 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -75 | -28.6 | 175.8 | -64.9 | -37.4 | 0 | 0 | 0 | 112.1 | R950 T1207 Q1208 K1214 S1215 | R950-D1211 IonicContact CZ-OD1 3.69Å; R950-D1211 IonicContact NH1-OD1 3.97Å; R950-D1211 PolarHBondContact NH1-OD1 3.04Å; R950-D1211 IonicContact NH2-OD1 3.39Å; R950-D1211 PolarHBondContact NH2-OD1 3.34Å; T1207-D1211 PolarHBondContact O-N 2.7Å; T1207-D1211 VanDerWaalsContact O-N 3.09Å; Q1208-D1211 PolarHBondContact O-N 3.15Å; D1211-K1214 WeakPolarHBondContact O-CB 3.19Å; D1211-K1214 PolarHBondContact O-N 2.74Å; D1211-S1215 PolarHBondContact O-N 2.81Å |
| 1212 | H | 38.4 | Very low | 41.6 | Very low | 136 Ų | 136 | 80.5 Ų | 80.5 | 63% | 0.63 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -69.1 | -34 | 165.6 | -103.8 | -52.3 | 0 | 0 | 0 | 113.6 | Q1208 M1209 K1214 S1215 | Q1208-H1212 PolarHBondContact O-N 3.04Å; M1209-H1212 PolarHBondContact O-N 2.92Å; H1212-K1214 PolarHBondContact O-N 3.32Å; H1212-S1215 WeakPolarHBondContact CA-OG 3.36Å; H1212-S1215 PolarHBondContact ND1-OG 2.98Å; H1212-S1215 PolarHBondContact O-N 2.9Å; H1212-S1215 PolarHBondContact O-OG 2.82Å |
| 1213 | I | 42.8 | Very low | 42.6 | Very low | 43 Ų | 43 | 77.2 Ų | 77.2 | 22% | 0.221 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -64.3 | -24.3 | 171.1 | -68.8 | 161.6 | 0 | 0 | 0 | 111.4 | M1209 I1210 T1216 R1222 Q1225 | M1209-I1213 WeakPolarHBondContact O-CD1 3.11Å; M1209-I1213 WeakPolarHBondContact O-CG1 3.04Å; M1209-I1213 PolarHBondContact O-N 3.13Å; I1210-I1213 PolarHBondContact O-N 3.3Å; I1213-T1216 PolarHBondContact O-OG1 3.44Å; I1213-R1222 HydrophobicContact CG2-CB 4.38Å; I1213-R1222 HydrophobicContact CG2-CG 4.04Å; I1213-R1222 WeakPolarHBondContact O-CG 3.26Å; I1213-R1222 PolarHBondContact O-NE 3.16Å; I1213-Q1225 HydrophobicContact CD1-CB 4.1Å; I1213-Q1225 HydrophobicContact CG1-CB 3.97Å; I1213-Q1225 HydrophobicContact CG1-CG 4.35Å |
| 1214 | K | 42.3 | Very low | 43.5 | Very low | 102 Ų | 102 | 70 Ų | 70 | 44% | 0.443 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -74.3 | -32.2 | 169.6 | -75.5 | -175.3 | 163.7 | -109.8 | 0 | 113 | I1210 D1211 H1212 T1216 R1222 | I1210-K1214 PolarHBondContact O-N 3.27Å; D1211-K1214 WeakPolarHBondContact O-CB 3.19Å; D1211-K1214 PolarHBondContact O-N 2.74Å; H1212-K1214 PolarHBondContact O-N 3.32Å; K1214-T1216 PolarHBondContact O-N 3.24Å; K1214-R1222 PolarHBondContact O-NH2 2.88Å |
| 1215 | S | 42 | Very low | 44.7 | Very low | 71 Ų | 71 | 70.1 Ų | 70.1 | 50% | 0.497 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -0.8 | 179.1 | 67.7 | 0 | 0 | 0 | 0 | 115.8 | D1211 H1212 | D1211-S1215 PolarHBondContact O-N 2.81Å; H1212-S1215 WeakPolarHBondContact CA-OG 3.36Å; H1212-S1215 PolarHBondContact ND1-OG 2.98Å; H1212-S1215 PolarHBondContact O-N 2.9Å; H1212-S1215 PolarHBondContact O-OG 2.82Å |
| 1216 | T | 38.4 | Very low | 45.8 | Very low | 36 Ų | 36 | 63 Ų | 63 | 22% | 0.221 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -102 | 115.3 | 178.7 | 48.6 | 0 | 0 | 0 | 0 | 111.6 | I1213 K1214 S1218 R1222 Q1225 | I1213-T1216 PolarHBondContact O-OG1 3.44Å; K1214-T1216 PolarHBondContact O-N 3.24Å; T1216-S1218 VanDerWaalsContact C-N 3.25Å; T1216-S1218 PolarHBondContact O-N 3.1Å; T1216-R1222 PolarHBondContact O-NE 3.45Å; T1216-Q1225 PolarHBondContact OG1-OE1 3.42Å |
| 1217 | N | 44.1 | Very low | 46.9 | Very low | 158 Ų | 158 | 58.8 Ų | 58.8 | 85% | 0.845 | 31% | 0.31 | S | S | * | . | trans | -81.6 | 37.5 | -165 | -66 | -16.5 | 0 | 0 | 0 | 115.3 | ||||
| 1218 | S | 48.3 | Very low | 48.1 | Very low | 20 Ų | 20 | 61.2 Ų | 61.2 | 14% | 0.14 | 31% | 0.311 | C | S | . | . | trans | -147.6 | 137.9 | 169.4 | 64.5 | 0 | 0 | 0 | 0 | 113.1 | T1216 S1220 L1221 R1222 Q1260 | T1216-S1218 VanDerWaalsContact C-N 3.25Å; T1216-S1218 PolarHBondContact O-N 3.1Å; S1218-S1220 WeakPolarHBondContact CB-OG 3.42Å; S1218-S1220 PolarHBondContact O-N 3.09Å; S1218-S1220 PolarHBondContact OG-OG 2.67Å; S1218-L1221 PolarHBondContact O-N 3Å; S1218-L1221 WeakPolarHBondContact OG-CB 3.23Å; S1218-L1221 PolarHBondContact OG-N 2.82Å; S1218-R1222 PolarHBondContact O-N 3.34Å; S1218-Q1260 VanDerWaalsContact OG-CD 3.3Å; S1218-Q1260 PolarHBondContact OG-NE2 3.03Å; S1218-Q1260 PolarHBondContact OG-OE1 3Å | ||
| 1219 | S | 50.5 | Low | 49.3 | Very low | 30 Ų | 30 | 59.2 Ų | 59.2 | 21% | 0.21 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -57.8 | -32.7 | 172.3 | 45 | 0 | 0 | 0 | 0 | 112.2 | N1173 R1222 A1223 | N1173-S1219 WeakPolarHBondContact OD1-CB 2.94Å; S1219-R1222 PolarHBondContact O-N 3.46Å; S1219-A1223 WeakPolarHBondContact O-CB 3.33Å; S1219-A1223 PolarHBondContact O-N 2.77Å |
| 1220 | S | 47.8 | Very low | 50.4 | Low | 24 Ų | 24 | 53.2 Ų | 53.2 | 17% | 0.168 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.8 | -44.5 | 174.2 | 44.1 | 0 | 0 | 0 | 0 | 113.4 | S1218 A1223 L1224 Q1260 | S1218-S1220 WeakPolarHBondContact CB-OG 3.42Å; S1218-S1220 PolarHBondContact O-N 3.09Å; S1218-S1220 PolarHBondContact OG-OG 2.67Å; S1220-A1223 PolarHBondContact O-N 3.05Å; S1220-L1224 WeakPolarHBondContact O-CB 3.45Å; S1220-L1224 PolarHBondContact O-N 3.36Å; S1220-Q1260 PolarHBondContact OG-OE1 2.84Å |
| 1221 | L | 52 | Low | 51.3 | Low | 33 Ų | 33 | 50.5 Ų | 50.5 | 17% | 0.173 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -69.5 | -42 | 174.7 | -83.9 | 168.2 | 0 | 0 | 0 | 111.4 | S1218 A1223 L1224 Q1225 I1263 | S1218-L1221 PolarHBondContact O-N 3Å; S1218-L1221 WeakPolarHBondContact OG-CB 3.23Å; S1218-L1221 PolarHBondContact OG-N 2.82Å; L1221-A1223 VanDerWaalsContact C-N 3.31Å; L1221-A1223 PolarHBondContact O-N 3.25Å; L1221-L1224 PolarHBondContact O-N 3.3Å; L1221-Q1225 WeakPolarHBondContact O-CB 3.48Å; L1221-Q1225 VanDerWaalsContact O-CG 3.28Å; L1221-Q1225 WeakPolarHBondContact O-CG 3.31Å; L1221-Q1225 PolarHBondContact O-N 3Å; L1221-Q1225 PolarHBondContact O-OE1 2.99Å; L1221-I1263 HydrophobicContact CD2-CD1 4Å; L1221-I1263 HydrophobicContact CD2-CG1 3.9Å; L1221-I1263 HydrophobicContact CG-CD1 4.46Å |
| 1222 | R | 56.8 | Low | 52.5 | Low | 25 Ų | 25 | 50.1 Ų | 50.1 | 9% | 0.094 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58.4 | -43.1 | 173.9 | -69.5 | -176.1 | 179.7 | 176.1 | 3.4 | 111.2 | L1169 E1176 I1213 K1214 T1216 S1218 S1219 Q1225 L1226 | L1169-R1222 HydrophobicContact CD1-CB 4.07Å; L1169-R1222 HydrophobicContact CD2-CB 3.67Å; E1176-R1222 IonicContact OE1-CZ 3.2Å; E1176-R1222 IonicContact OE1-NH1 3.2Å; E1176-R1222 PolarHBondContact OE1-NH1 2.82Å; E1176-R1222 IonicContact OE1-NH2 3.42Å; E1176-R1222 PolarHBondContact OE1-NH2 2.65Å; E1176-R1222 IonicContact OE2-CZ 2.72Å; E1176-R1222 IonicContact OE2-NH1 3.95Å; E1176-R1222 PolarHBondContact OE2-NH1 3.11Å; E1176-R1222 IonicContact OE2-NH2 2.73Å; E1176-R1222 PolarHBondContact OE2-NH2 2.91Å; I1213-R1222 HydrophobicContact CG2-CB 4.38Å; I1213-R1222 HydrophobicContact CG2-CG 4.04Å; I1213-R1222 WeakPolarHBondContact O-CG 3.26Å; I1213-R1222 PolarHBondContact O-NE 3.16Å; K1214-R1222 PolarHBondContact O-NH2 2.88Å; T1216-R1222 PolarHBondContact O-NE 3.45Å; S1218-R1222 PolarHBondContact O-N 3.34Å; S1219-R1222 PolarHBondContact O-N 3.46Å; R1222-Q1225 PolarHBondContact O-N 2.79Å; R1222-L1226 WeakPolarHBondContact O-CB 3.37Å; R1222-L1226 PolarHBondContact O-N 3.47Å |
| 1223 | A | 55.4 | Low | 53.2 | Low | 11 Ų | 11 | 46 Ų | 46 | 9% | 0.091 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -65.1 | -43.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | A1166 L1169 S1219 S1220 L1221 L1226 C1227 | A1166-A1223 HydrophobicContact CB-CB 4.31Å; L1169-A1223 HydrophobicContact CB-CB 4.23Å; S1219-A1223 WeakPolarHBondContact O-CB 3.33Å; S1219-A1223 PolarHBondContact O-N 2.77Å; S1220-A1223 PolarHBondContact O-N 3.05Å; L1221-A1223 VanDerWaalsContact C-N 3.31Å; L1221-A1223 PolarHBondContact O-N 3.25Å; A1223-L1226 CarbonylContact O-C 3.57Å; A1223-L1226 PolarHBondContact O-N 3.49Å; A1223-C1227 PolarHBondContact O-N 3.21Å; A1223-C1227 PolarHBondContact O-SG 3.49Å; A1223-C1227 VanDerWaalsContact O-SG 3.33Å |
| 1224 | L | 58.1 | Low | 53.7 | Low | 9 Ų | 9 | 44.5 Ų | 44.5 | 5% | 0.047 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65.3 | -42.1 | 177.2 | -165.6 | 161.3 | 0 | 0 | 0 | 111.7 | S1220 L1221 L1226 C1227 R1228 L1253 I1263 | S1220-L1224 WeakPolarHBondContact O-CB 3.45Å; S1220-L1224 PolarHBondContact O-N 3.36Å; L1221-L1224 PolarHBondContact O-N 3.3Å; L1224-L1226 VanDerWaalsContact C-N 3.33Å; L1224-C1227 PolarHBondContact O-N 3.37Å; L1224-R1228 HydrophobicContact CD2-CG 4.18Å; L1224-R1228 WeakPolarHBondContact O-CB 3.29Å; L1224-R1228 PolarHBondContact O-N 2.9Å; L1224-L1253 HydrophobicContact CD1-CD1 3.75Å; L1224-L1253 HydrophobicContact CD1-CD2 3.66Å; L1224-L1253 HydrophobicContact CD1-CG 4.39Å; L1224-L1253 HydrophobicContact CG-CD1 4.11Å; L1224-L1253 HydrophobicContact CG-CD2 3.97Å; L1224-I1263 HydrophobicContact CD1-CD1 3.64Å; L1224-I1263 HydrophobicContact CD1-CG1 4.12Å; L1224-I1263 HydrophobicContact CD1-CG2 3.93Å |
| 1225 | Q | 60 | Low | 54.4 | Low | 56 Ų | 56 | 41.4 Ų | 41.4 | 26% | 0.262 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -63.8 | -37.6 | 173.1 | -70.5 | 173.9 | -57.1 | 0 | 0 | 111.4 | I1213 T1216 L1221 R1222 Y1229 | I1213-Q1225 HydrophobicContact CD1-CB 4.1Å; I1213-Q1225 HydrophobicContact CG1-CB 3.97Å; I1213-Q1225 HydrophobicContact CG1-CG 4.35Å; T1216-Q1225 PolarHBondContact OG1-OE1 3.42Å; L1221-Q1225 WeakPolarHBondContact O-CB 3.48Å; L1221-Q1225 VanDerWaalsContact O-CG 3.28Å; L1221-Q1225 WeakPolarHBondContact O-CG 3.31Å; L1221-Q1225 PolarHBondContact O-N 3Å; L1221-Q1225 PolarHBondContact O-OE1 2.99Å; R1222-Q1225 PolarHBondContact O-N 2.79Å; Q1225-Y1229 PolarHBondContact O-N 2.82Å |
| 1226 | L | 59.6 | Low | 55 | Low | 18 Ų | 18 | 45.7 Ų | 45.7 | 9% | 0.094 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -68.3 | -43.1 | 173.9 | -160.5 | 85 | 0 | 0 | 0 | 112.1 | P953 A1165 L1169 R1222 A1223 L1224 R1228 Y1229 V1230 | P953-L1226 HydrophobicContact CB-CD1 3.76Å; P953-L1226 HydrophobicContact CB-CD2 3.54Å; P953-L1226 HydrophobicContact CB-CG 4.31Å; P953-L1226 HydrophobicContact CG-CD1 3.85Å; P953-L1226 HydrophobicContact CG-CD2 4.45Å; A1165-L1226 HydrophobicContact CB-CD2 4.14Å; L1169-L1226 HydrophobicContact CD1-CB 3.92Å; L1169-L1226 HydrophobicContact CD1-CD2 4.03Å; L1169-L1226 HydrophobicContact CD1-CG 4.38Å; R1222-L1226 WeakPolarHBondContact O-CB 3.37Å; R1222-L1226 PolarHBondContact O-N 3.47Å; A1223-L1226 CarbonylContact O-C 3.57Å; A1223-L1226 PolarHBondContact O-N 3.49Å; L1224-L1226 VanDerWaalsContact C-N 3.33Å; L1226-R1228 VanDerWaalsContact C-N 3.34Å; L1226-R1228 PolarHBondContact O-N 2.83Å; L1226-Y1229 CarbonylContact O-C 3.59Å; L1226-Y1229 WeakPolarHBondContact O-CA 3.33Å; L1226-Y1229 WeakPolarHBondContact O-CB 3.37Å; L1226-Y1229 PolarHBondContact O-N 3.21Å; L1226-V1230 WeakPolarHBondContact O-CG2 3.31Å; L1226-V1230 PolarHBondContact O-N 2.87Å |
| 1227 | C | 60.2 | Low | 55.4 | Low | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.007 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.7 | -40.2 | 174.9 | -69.9 | 0 | 0 | 0 | 0 | 111.4 | C1162 A1223 L1224 Y1229 V1230 M1231 W1252 | C1162-C1227 PolarHBondContact O-SG 3.3Å; A1223-C1227 PolarHBondContact O-N 3.21Å; A1223-C1227 PolarHBondContact O-SG 3.49Å; A1223-C1227 VanDerWaalsContact O-SG 3.33Å; L1224-C1227 PolarHBondContact O-N 3.37Å; C1227-Y1229 VanDerWaalsContact C-N 3.27Å; C1227-Y1229 PolarHBondContact O-N 3.19Å; C1227-V1230 PolarHBondContact O-N 3.45Å; C1227-M1231 VanDerWaalsContact O-CB 3.24Å; C1227-M1231 WeakPolarHBondContact O-CB 3.35Å; C1227-M1231 WeakPolarHBondContact O-CG 3.4Å; C1227-M1231 PolarHBondContact O-N 2.83Å; C1227-W1252 HydrophobicContact CB-CH2 4.47Å; C1227-W1252 HydrophobicContact CB-CZ3 4.06Å; C1227-W1252 WeakPolarHBondContact SG-CH2 3.47Å |
| 1228 | R | 61.7 | Low | 55.9 | Low | 128 Ų | 128 | 44.3 Ų | 44.3 | 48% | 0.483 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -59.2 | -35.5 | 169.9 | -78.5 | -179.4 | 172.8 | 171.8 | 0.4 | 112 | L1224 L1226 S1232 I1249 D1266 | L1224-R1228 HydrophobicContact CD2-CG 4.18Å; L1224-R1228 WeakPolarHBondContact O-CB 3.29Å; L1224-R1228 PolarHBondContact O-N 2.9Å; L1226-R1228 VanDerWaalsContact C-N 3.34Å; L1226-R1228 PolarHBondContact O-N 2.83Å; R1228-S1232 PolarHBondContact O-N 3.4Å; R1228-I1249 HydrophobicContact CG-CD1 4.38Å; R1228-D1266 IonicContact NH1-OD2 3.61Å; R1228-D1266 IonicContact NH2-OD2 2.71Å; R1228-D1266 PolarHBondContact NH2-OD2 3.37Å |
| 1229 | Y | 61.3 | Low | 56.2 | Low | 75 Ų | 75 | 46.3 Ų | 46.3 | 29% | 0.294 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -77.9 | -41.7 | 177.4 | -175.7 | -100.6 | 0 | 0 | 0 | 113.8 | H952 I954 Q1225 L1226 C1227 M1231 S1232 L1233 | H952-Y1229 AromaticContact CE1-CE1 3.67Å; I954-Y1229 HydrophobicContact CD1-CD1 3.9Å; I954-Y1229 HydrophobicContact CD1-CE1 3.67Å; Q1225-Y1229 PolarHBondContact O-N 2.82Å; L1226-Y1229 CarbonylContact O-C 3.59Å; L1226-Y1229 WeakPolarHBondContact O-CA 3.33Å; L1226-Y1229 WeakPolarHBondContact O-CB 3.37Å; L1226-Y1229 PolarHBondContact O-N 3.21Å; C1227-Y1229 VanDerWaalsContact C-N 3.27Å; C1227-Y1229 PolarHBondContact O-N 3.19Å; Y1229-M1231 VanDerWaalsContact C-N 3.25Å; Y1229-M1231 PolarHBondContact O-N 3.34Å; Y1229-S1232 PolarHBondContact O-N 2.92Å; Y1229-S1232 PolarHBondContact O-OG 3.36Å; Y1229-L1233 HydrophobicContact CD1-CD1 4.09Å; Y1229-L1233 HydrophobicContact CE1-CD1 3.58Å; Y1229-L1233 HydrophobicContact CE1-CG 4.3Å; Y1229-L1233 PolarHBondContact O-N 3.37Å |
| 1230 | V | 58.5 | Low | 56.3 | Low | 17 Ų | 17 | 48.9 Ų | 48.9 | 10% | 0.103 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59.4 | -41.1 | 171.4 | 169 | 0 | 0 | 0 | 0 | 109.9 | I954 L1161 A1165 L1226 C1227 L1233 F1234 | I954-V1230 HydrophobicContact CD1-CG2 4.39Å; I954-V1230 HydrophobicContact CG1-CG2 4Å; L1161-V1230 HydrophobicContact CB-CG1 4.3Å; A1165-V1230 HydrophobicContact CB-CG2 4.05Å; L1226-V1230 WeakPolarHBondContact O-CG2 3.31Å; L1226-V1230 PolarHBondContact O-N 2.87Å; C1227-V1230 PolarHBondContact O-N 3.45Å; V1230-L1233 PolarHBondContact O-N 3.47Å; V1230-F1234 WeakPolarHBondContact O-CB 3.31Å; V1230-F1234 PolarHBondContact O-N 3.27Å |
| 1231 | M | 60.6 | Low | 56.7 | Low | 2 Ų | 2 | 47.9 Ų | 47.9 | 1% | 0.01 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -70.3 | -33.5 | 174.9 | -80.2 | -70.6 | 175.6 | 0 | 0 | 113.9 | G1158 C1162 C1227 Y1229 L1233 F1234 I1235 V1245 I1248 I1249 | G1158-M1231 VanDerWaalsContact O-CE 3.28Å; G1158-M1231 WeakPolarHBondContact O-CE 3.44Å; C1162-M1231 WeakPolarHBondContact SG-CE 3.17Å; C1227-M1231 VanDerWaalsContact O-CB 3.24Å; C1227-M1231 WeakPolarHBondContact O-CB 3.35Å; C1227-M1231 WeakPolarHBondContact O-CG 3.4Å; C1227-M1231 PolarHBondContact O-N 2.83Å; Y1229-M1231 VanDerWaalsContact C-N 3.25Å; Y1229-M1231 PolarHBondContact O-N 3.34Å; M1231-L1233 VanDerWaalsContact C-N 3.3Å; M1231-L1233 PolarHBondContact O-N 2.98Å; M1231-F1234 PolarHBondContact O-N 3.17Å; M1231-F1234 HydrophobicContact SD-CB 4.27Å; M1231-F1234 HydrophobicContact SD-CD1 3.96Å; M1231-F1234 HydrophobicContact SD-CG 4.41Å; M1231-I1235 WeakPolarHBondContact O-CB 3.38Å; M1231-I1235 WeakPolarHBondContact O-CD1 3.2Å; M1231-I1235 VanDerWaalsContact O-CG1 3.25Å; M1231-I1235 WeakPolarHBondContact O-CG1 3.47Å; M1231-I1235 PolarHBondContact O-N 2.9Å; M1231-V1245 HydrophobicContact CB-CG1 3.72Å; M1231-V1245 HydrophobicContact CG-CG1 4.06Å; M1231-V1245 HydrophobicContact SD-CB 4.44Å; M1231-V1245 HydrophobicContact SD-CG1 3.96Å; M1231-V1245 HydrophobicContact SD-CG2 3.84Å; M1231-I1248 HydrophobicContact CE-CB 4.19Å; M1231-I1248 HydrophobicContact CE-CG2 3.5Å; M1231-I1249 HydrophobicContact CB-CD1 3.92Å; M1231-I1249 HydrophobicContact CB-CG1 4.46Å; M1231-I1249 HydrophobicContact CG-CD1 3.92Å; M1231-I1249 HydrophobicContact CG-CG1 3.9Å |
| 1232 | S | 63.1 | Low | 57.1 | Low | 57 Ų | 57 | 53.9 Ų | 53.9 | 40% | 0.399 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -70 | -27.7 | 173.7 | 76.9 | 0 | 0 | 0 | 0 | 112.6 | R1228 Y1229 K1236 | R1228-S1232 PolarHBondContact O-N 3.4Å; Y1229-S1232 PolarHBondContact O-N 2.92Å; Y1229-S1232 PolarHBondContact O-OG 3.36Å; S1232-K1236 PolarHBondContact O-N 2.93Å |
| 1233 | L | 54.5 | Low | 56.9 | Low | 50 Ų | 50 | 57.3 Ų | 57.3 | 26% | 0.262 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -73.9 | -40.1 | 166.9 | -67.1 | 173.2 | 0 | 0 | 0 | 112.2 | I954 Y1229 V1230 M1231 I1235 K1236 E1237 | I954-L1233 HydrophobicContact CD1-CD1 3.44Å; I954-L1233 VanDerWaalsContact CD1-CD1 3.44Å; Y1229-L1233 HydrophobicContact CD1-CD1 4.09Å; Y1229-L1233 HydrophobicContact CE1-CD1 3.58Å; Y1229-L1233 HydrophobicContact CE1-CG 4.3Å; Y1229-L1233 PolarHBondContact O-N 3.37Å; V1230-L1233 PolarHBondContact O-N 3.47Å; M1231-L1233 VanDerWaalsContact C-N 3.3Å; M1231-L1233 PolarHBondContact O-N 2.98Å; L1233-I1235 VanDerWaalsContact C-N 3.28Å; L1233-I1235 PolarHBondContact O-N 2.61Å; L1233-K1236 WeakPolarHBondContact O-CA 3.37Å; L1233-K1236 VanDerWaalsContact O-CB 3.31Å; L1233-K1236 WeakPolarHBondContact O-CB 3.43Å; L1233-K1236 PolarHBondContact O-N 3.29Å; L1233-E1237 PolarHBondContact O-N 3.35Å |
| 1234 | F | 53.7 | Low | 57.1 | Low | 11 Ų | 11 | 57.4 Ų | 57.4 | 5% | 0.048 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.7 | -37.4 | 174.1 | -166.9 | -111.1 | 0 | 0 | 0 | 112 | L1154 L1157 L1161 V1230 M1231 K1236 F1238 V1241 | L1154-F1234 HydrophobicContact CD2-CZ 4.16Å; L1157-F1234 HydrophobicContact CB-CZ 4.49Å; L1157-F1234 HydrophobicContact CD2-CE2 3.91Å; L1157-F1234 HydrophobicContact CD2-CZ 4.23Å; L1157-F1234 HydrophobicContact CG-CE2 4.14Å; L1157-F1234 HydrophobicContact CG-CZ 4.4Å; L1161-F1234 HydrophobicContact CD1-CD2 3.67Å; L1161-F1234 HydrophobicContact CD1-CE2 3.69Å; V1230-F1234 WeakPolarHBondContact O-CB 3.31Å; V1230-F1234 PolarHBondContact O-N 3.27Å; M1231-F1234 PolarHBondContact O-N 3.17Å; M1231-F1234 HydrophobicContact SD-CB 4.27Å; M1231-F1234 HydrophobicContact SD-CD1 3.96Å; M1231-F1234 HydrophobicContact SD-CG 4.41Å; F1234-K1236 VanDerWaalsContact C-N 3.33Å; F1234-F1238 AromaticContact CD2-CD2 3.72Å; F1234-F1238 HydrophobicContact CD2-CD2 3.72Å; F1234-F1238 HydrophobicContact CD2-CE2 4.03Å; F1234-F1238 AromaticContact CE2-CD2 3.6Å; F1234-F1238 HydrophobicContact CE2-CD2 3.6Å; F1234-F1238 AromaticContact CE2-CE2 3.78Å; F1234-F1238 HydrophobicContact CE2-CE2 3.78Å; F1234-F1238 HydrophobicContact CG-CD2 4.3Å; F1234-F1238 HydrophobicContact CZ-CD2 4.11Å; F1234-F1238 WeakPolarHBondContact O-CA 3.47Å; F1234-F1238 WeakPolarHBondContact O-CB 3.33Å; F1234-F1238 PolarHBondContact O-N 3.39Å; F1234-V1241 HydrophobicContact CE1-CG1 4.03Å |
| 1235 | I | 56.6 | Low | 57.3 | Low | 37 Ų | 37 | 57.3 Ų | 57.3 | 19% | 0.19 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.9 | -40.2 | 168.6 | -74.9 | 161.9 | 0 | 0 | 0 | 111.7 | M1231 L1233 F1238 P1239 Y1242 V1245 | M1231-I1235 WeakPolarHBondContact O-CB 3.38Å; M1231-I1235 WeakPolarHBondContact O-CD1 3.2Å; M1231-I1235 VanDerWaalsContact O-CG1 3.25Å; M1231-I1235 WeakPolarHBondContact O-CG1 3.47Å; M1231-I1235 PolarHBondContact O-N 2.9Å; L1233-I1235 VanDerWaalsContact C-N 3.28Å; L1233-I1235 PolarHBondContact O-N 2.61Å; I1235-F1238 CarbonylContact O-C 3.5Å; I1235-P1239 WeakPolarHBondContact O-CA 3.44Å; I1235-Y1242 HydrophobicContact CB-CD2 4.41Å; I1235-Y1242 HydrophobicContact CD1-CD2 3.61Å; I1235-Y1242 HydrophobicContact CD1-CE2 3.96Å; I1235-Y1242 HydrophobicContact CG1-CD2 3.88Å; I1235-Y1242 HydrophobicContact CG2-CD2 3.63Å; I1235-Y1242 HydrophobicContact CG2-CE2 4.31Å; I1235-V1245 HydrophobicContact CD1-CB 4.08Å; I1235-V1245 HydrophobicContact CD1-CG1 3.88Å; I1235-V1245 HydrophobicContact CD1-CG2 4.07Å; I1235-V1245 HydrophobicContact CG1-CB 4.35Å; I1235-V1245 HydrophobicContact CG1-CG2 3.8Å |
| 1236 | K | 53.7 | Low | 57 | Low | 162 Ų | 162 | 57.4 Ų | 57.4 | 70% | 0.704 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -70.2 | -34.9 | -174.9 | -153.2 | 171.1 | -174.2 | 176 | 0 | 112.3 | S1232 L1233 F1234 | S1232-K1236 PolarHBondContact O-N 2.93Å; L1233-K1236 WeakPolarHBondContact O-CA 3.37Å; L1233-K1236 VanDerWaalsContact O-CB 3.31Å; L1233-K1236 WeakPolarHBondContact O-CB 3.43Å; L1233-K1236 PolarHBondContact O-N 3.29Å; F1234-K1236 VanDerWaalsContact C-N 3.33Å |
| 1237 | E | 46.4 | Very low | 56.8 | Low | 101 Ų | 101 | 57.3 Ų | 57.3 | 47% | 0.472 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -83.1 | -38.9 | 174.2 | -63.7 | -56.3 | 143.6 | 0 | 0 | 112.9 | W926 L1233 P1239 | W926-E1237 WeakPolarHBondContact CZ3-OE2 3.31Å; L1233-E1237 PolarHBondContact O-N 3.35Å; E1237-P1239 VanDerWaalsContact C-CD 3.41Å; E1237-P1239 VanDerWaalsContact O-CD 3.31Å; E1237-P1239 WeakPolarHBondContact O-CD 3.37Å |
| 1238 | F | 54.9 | Low | 56.9 | Low | 63 Ų | 63 | 57.2 Ų | 57.2 | 28% | 0.276 | 29% | 0.289 | S | S | . | . | trans | -121.8 | 68 | -178.6 | -52.9 | -71.6 | 0 | 0 | 0 | 111.4 | L1154 F1234 I1235 T1240 V1241 | L1154-F1238 HydrophobicContact CD2-CD1 4.42Å; L1154-F1238 HydrophobicContact CD2-CG 4.36Å; F1234-F1238 AromaticContact CD2-CD2 3.72Å; F1234-F1238 HydrophobicContact CD2-CD2 3.72Å; F1234-F1238 HydrophobicContact CD2-CE2 4.03Å; F1234-F1238 AromaticContact CE2-CD2 3.6Å; F1234-F1238 HydrophobicContact CE2-CD2 3.6Å; F1234-F1238 AromaticContact CE2-CE2 3.78Å; F1234-F1238 HydrophobicContact CE2-CE2 3.78Å; F1234-F1238 HydrophobicContact CG-CD2 4.3Å; F1234-F1238 HydrophobicContact CZ-CD2 4.11Å; F1234-F1238 WeakPolarHBondContact O-CA 3.47Å; F1234-F1238 WeakPolarHBondContact O-CB 3.33Å; F1234-F1238 PolarHBondContact O-N 3.39Å; I1235-F1238 CarbonylContact O-C 3.5Å; F1238-T1240 PolarHBondContact O-N 3.18Å; F1238-V1241 HydrophobicContact CB-CG2 3.8Å; F1238-V1241 WeakPolarHBondContact O-CB 3.4Å; F1238-V1241 PolarHBondContact O-N 2.91Å | ||
| 1239 | P | 54.9 | Low | 56.8 | Low | 62 Ų | 62 | 52.2 Ų | 52.2 | 40% | 0.403 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -61.7 | -19 | -174.9 | 22.7 | -33.9 | 0 | 0 | 0 | 114 | I1051 I1235 E1237 V1241 Y1242 | I1051-P1239 HydrophobicContact CD1-CG 4.48Å; I1235-P1239 WeakPolarHBondContact O-CA 3.44Å; E1237-P1239 VanDerWaalsContact C-CD 3.41Å; E1237-P1239 VanDerWaalsContact O-CD 3.31Å; E1237-P1239 WeakPolarHBondContact O-CD 3.37Å; P1239-V1241 PolarHBondContact O-N 2.96Å; P1239-Y1242 PolarHBondContact O-N 3Å |
| 1240 | T | 52.8 | Low | 56.5 | Low | 84 Ų | 84 | 50.2 Ų | 50.2 | 52% | 0.515 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -66 | -9.7 | 171.3 | 50.1 | 0 | 0 | 0 | 0 | 114.5 | I1051 F1238 | I1051-T1240 HydrophobicContact CG2-CG2 3.94Å; F1238-T1240 PolarHBondContact O-N 3.18Å |
| 1241 | V | 56.2 | Low | 56.3 | Low | 3 Ų | 3 | 50.3 Ų | 50.3 | 2% | 0.018 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -103.6 | -3.5 | -177.4 | -165.7 | 0 | 0 | 0 | 0 | 112.4 | L1154 F1234 F1238 P1239 S1243 L1244 V1245 I1248 | L1154-V1241 HydrophobicContact CB-CG2 4.4Å; L1154-V1241 HydrophobicContact CD1-CG2 3.88Å; L1154-V1241 HydrophobicContact CD2-CG2 4.41Å; L1154-V1241 HydrophobicContact CG-CG2 4.46Å; F1234-V1241 HydrophobicContact CE1-CG1 4.03Å; F1238-V1241 HydrophobicContact CB-CG2 3.8Å; F1238-V1241 WeakPolarHBondContact O-CB 3.4Å; F1238-V1241 PolarHBondContact O-N 2.91Å; P1239-V1241 PolarHBondContact O-N 2.96Å; V1241-S1243 VanDerWaalsContact C-N 3.26Å; V1241-S1243 PolarHBondContact O-N 3.01Å; V1241-S1243 VanDerWaalsContact O-N 3.08Å; V1241-L1244 HydrophobicContact CG1-CB 4Å; V1241-L1244 HydrophobicContact CG1-CD1 4.34Å; V1241-L1244 PolarHBondContact O-N 2.68Å; V1241-V1245 HydrophobicContact CG1-CG2 4.45Å; V1241-V1245 PolarHBondContact O-N 2.73Å; V1241-I1248 HydrophobicContact CG1-CD1 4.49Å |
| 1242 | Y | 60 | Low | 56.4 | Low | 159 Ų | 159 | 50.5 Ų | 50.5 | 62% | 0.624 | 27% | 0.269 | S | S | * | . | G | 310 helix | trans | -48.5 | -42.5 | -176.1 | -174.5 | -109.5 | 0 | 0 | 0 | 114.3 | I1235 P1239 L1244 V1245 | I1235-Y1242 HydrophobicContact CB-CD2 4.41Å; I1235-Y1242 HydrophobicContact CD1-CD2 3.61Å; I1235-Y1242 HydrophobicContact CD1-CE2 3.96Å; I1235-Y1242 HydrophobicContact CG1-CD2 3.88Å; I1235-Y1242 HydrophobicContact CG2-CD2 3.63Å; I1235-Y1242 HydrophobicContact CG2-CE2 4.31Å; P1239-Y1242 PolarHBondContact O-N 3Å; Y1242-L1244 VanDerWaalsContact C-N 3.29Å; Y1242-L1244 PolarHBondContact O-N 2.78Å; Y1242-V1245 PolarHBondContact O-N 3.28Å |
| 1243 | S | 53.2 | Low | 56.2 | Low | 97 Ų | 97 | 48.5 Ų | 48.5 | 68% | 0.678 | 25% | 0.253 | S | S | * | . | G | 310 helix | trans | -74 | -10.5 | 179.6 | 52.8 | 0 | 0 | 0 | 0 | 115.5 | V1241 | V1241-S1243 VanDerWaalsContact C-N 3.26Å; V1241-S1243 PolarHBondContact O-N 3.01Å; V1241-S1243 VanDerWaalsContact O-N 3.08Å |
| 1244 | L | 58.7 | Low | 56 | Low | 13 Ų | 13 | 47.3 Ų | 47.3 | 7% | 0.068 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -100.7 | -16.2 | 176.3 | -72.2 | 166.2 | 0 | 0 | 0 | 112.8 | K1151 I1155 V1241 Y1242 T1247 I1248 I1283 | K1151-L1244 HydrophobicContact CD-CD1 4.34Å; I1155-L1244 HydrophobicContact CD1-CD1 4.28Å; I1155-L1244 HydrophobicContact CD1-CD2 4.24Å; I1155-L1244 HydrophobicContact CG1-CD1 4.31Å; V1241-L1244 HydrophobicContact CG1-CB 4Å; V1241-L1244 HydrophobicContact CG1-CD1 4.34Å; V1241-L1244 PolarHBondContact O-N 2.68Å; Y1242-L1244 VanDerWaalsContact C-N 3.29Å; Y1242-L1244 PolarHBondContact O-N 2.78Å; L1244-T1247 WeakPolarHBondContact O-CB 3.22Å; L1244-T1247 PolarHBondContact O-N 3.44Å; L1244-I1248 HydrophobicContact CB-CD1 4.33Å; L1244-I1248 WeakPolarHBondContact O-CG1 3.1Å; L1244-I1248 PolarHBondContact O-N 3.12Å; L1244-I1283 HydrophobicContact CD2-CG2 4.39Å |
| 1245 | V | 63.1 | Low | 56 | Low | 8 Ų | 8 | 49 Ų | 49 | 5% | 0.048 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64 | -42.3 | -175.1 | 164.4 | 0 | 0 | 0 | 0 | 114 | M1231 I1235 V1241 Y1242 T1247 I1248 I1249 | M1231-V1245 HydrophobicContact CB-CG1 3.72Å; M1231-V1245 HydrophobicContact CG-CG1 4.06Å; M1231-V1245 HydrophobicContact SD-CB 4.44Å; M1231-V1245 HydrophobicContact SD-CG1 3.96Å; M1231-V1245 HydrophobicContact SD-CG2 3.84Å; I1235-V1245 HydrophobicContact CD1-CB 4.08Å; I1235-V1245 HydrophobicContact CD1-CG1 3.88Å; I1235-V1245 HydrophobicContact CD1-CG2 4.07Å; I1235-V1245 HydrophobicContact CG1-CB 4.35Å; I1235-V1245 HydrophobicContact CG1-CG2 3.8Å; V1241-V1245 HydrophobicContact CG1-CG2 4.45Å; V1241-V1245 PolarHBondContact O-N 2.73Å; Y1242-V1245 PolarHBondContact O-N 3.28Å; V1245-T1247 VanDerWaalsContact C-N 3.28Å; V1245-T1247 PolarHBondContact O-N 3.2Å; V1245-I1248 PolarHBondContact O-N 3.47Å; V1245-I1249 HydrophobicContact CG1-CD1 3.71Å; V1245-I1249 HydrophobicContact CG1-CG1 4.31Å; V1245-I1249 WeakPolarHBondContact O-CG1 3.45Å; V1245-I1249 PolarHBondContact O-N 3.23Å |
| 1246 | P | 54.2 | Low | 56 | Low | 57 Ų | 57 | 53.2 Ų | 53.2 | 37% | 0.37 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -59.7 | -39.3 | 173.2 | -23.9 | 34.6 | 0 | 0 | 0 | 112.5 | S1250 F1270 | P1246-S1250 WeakPolarHBondContact O-CB 3.25Å; P1246-S1250 PolarHBondContact O-N 3.19Å; P1246-S1250 PolarHBondContact O-OG 3.29Å; P1246-S1250 VanDerWaalsContact O-OG 3.08Å; P1246-F1270 HydrophobicContact CB-CE1 4.47Å; P1246-F1270 HydrophobicContact CB-CZ 3.86Å |
| 1247 | T | 55.6 | Low | 55.4 | Low | 16 Ų | 16 | 46 Ų | 46 | 10% | 0.098 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61 | -47.1 | 174.1 | -73.9 | 0 | 0 | 0 | 0 | 112 | L1244 V1245 S1250 L1251 H1284 | L1244-T1247 WeakPolarHBondContact O-CB 3.22Å; L1244-T1247 PolarHBondContact O-N 3.44Å; V1245-T1247 VanDerWaalsContact C-N 3.28Å; V1245-T1247 PolarHBondContact O-N 3.2Å; T1247-S1250 PolarHBondContact O-N 3.04Å; T1247-L1251 HydrophobicContact CG2-CD1 3.82Å; T1247-L1251 WeakPolarHBondContact O-CB 3.43Å; T1247-L1251 VanDerWaalsContact O-CG 3.3Å; T1247-L1251 WeakPolarHBondContact O-CG 3.45Å; T1247-L1251 PolarHBondContact O-N 3.27Å; T1247-H1284 VanDerWaalsContact CB-NE2 3.34Å; T1247-H1284 WeakPolarHBondContact CB-NE2 3.15Å; T1247-H1284 VanDerWaalsContact CG2-NE2 3.29Å; T1247-H1284 WeakPolarHBondContact CG2-NE2 3.19Å; T1247-H1284 PolarHBondContact OG1-CD2 2.76Å; T1247-H1284 VanDerWaalsContact OG1-CD2 3.28Å; T1247-H1284 PolarHBondContact OG1-NE2 3.01Å |
| 1248 | I | 60.9 | Low | 55.5 | Low | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64 | -46.4 | 179.2 | -61.9 | 160.2 | 0 | 0 | 0 | 110.7 | I1155 F1159 M1231 V1241 L1244 V1245 S1250 W1252 | I1155-I1248 HydrophobicContact CG1-CD1 4.24Å; I1155-I1248 HydrophobicContact CG1-CG1 4.38Å; I1155-I1248 HydrophobicContact CG2-CG1 4.28Å; F1159-I1248 HydrophobicContact CD2-CG2 3.87Å; F1159-I1248 HydrophobicContact CE2-CG2 4.33Å; M1231-I1248 HydrophobicContact CE-CB 4.19Å; M1231-I1248 HydrophobicContact CE-CG2 3.5Å; V1241-I1248 HydrophobicContact CG1-CD1 4.49Å; L1244-I1248 HydrophobicContact CB-CD1 4.33Å; L1244-I1248 WeakPolarHBondContact O-CG1 3.1Å; L1244-I1248 PolarHBondContact O-N 3.12Å; V1245-I1248 PolarHBondContact O-N 3.47Å; I1248-S1250 PolarHBondContact O-N 2.8Å; I1248-W1252 WeakPolarHBondContact O-CB 3.34Å; I1248-W1252 PolarHBondContact O-N 2.75Å |
| 1249 | I | 59.9 | Low | 55.1 | Low | 22 Ų | 22 | 43.9 Ų | 43.9 | 11% | 0.113 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.1 | -43.9 | 179.5 | -66.1 | 170.9 | 0 | 0 | 0 | 111.1 | R1228 M1231 V1245 W1252 L1253 | R1228-I1249 HydrophobicContact CG-CD1 4.38Å; M1231-I1249 HydrophobicContact CB-CD1 3.92Å; M1231-I1249 HydrophobicContact CB-CG1 4.46Å; M1231-I1249 HydrophobicContact CG-CD1 3.92Å; M1231-I1249 HydrophobicContact CG-CG1 3.9Å; V1245-I1249 HydrophobicContact CG1-CD1 3.71Å; V1245-I1249 HydrophobicContact CG1-CG1 4.31Å; V1245-I1249 WeakPolarHBondContact O-CG1 3.45Å; V1245-I1249 PolarHBondContact O-N 3.23Å; I1249-W1252 PolarHBondContact O-N 3.22Å; I1249-L1253 HydrophobicContact CG2-CD1 3.85Å; I1249-L1253 HydrophobicContact CG2-CG 4.36Å; I1249-L1253 WeakPolarHBondContact O-CB 3.33Å; I1249-L1253 WeakPolarHBondContact O-CG 3.44Å; I1249-L1253 PolarHBondContact O-N 3.39Å |
| 1250 | S | 54.8 | Low | 54.8 | Low | 33 Ų | 33 | 43.7 Ų | 43.7 | 23% | 0.231 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -66.9 | -44.8 | -179.5 | -67.9 | 0 | 0 | 0 | 0 | 112.7 | P1246 T1247 I1248 W1252 L1253 M1254 | P1246-S1250 WeakPolarHBondContact O-CB 3.25Å; P1246-S1250 PolarHBondContact O-N 3.19Å; P1246-S1250 PolarHBondContact O-OG 3.29Å; P1246-S1250 VanDerWaalsContact O-OG 3.08Å; T1247-S1250 PolarHBondContact O-N 3.04Å; I1248-S1250 PolarHBondContact O-N 2.8Å; S1250-W1252 VanDerWaalsContact C-N 3.32Å; S1250-W1252 PolarHBondContact O-N 2.92Å; S1250-L1253 PolarHBondContact O-N 2.73Å; S1250-M1254 VanDerWaalsContact O-CG 3.28Å; S1250-M1254 WeakPolarHBondContact O-CG 3.47Å; S1250-M1254 PolarHBondContact O-N 3.1Å |
| 1251 | L | 54.2 | Low | 54.3 | Low | 19 Ų | 19 | 45.6 Ų | 45.6 | 10% | 0.099 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63 | -40 | 175.5 | -70.1 | 170 | 0 | 0 | 0 | 111.4 | F1159 T1247 M1254 D1255 F1288 | F1159-L1251 HydrophobicContact CE2-CB 3.86Å; F1159-L1251 HydrophobicContact CZ-CB 3.73Å; T1247-L1251 HydrophobicContact CG2-CD1 3.82Å; T1247-L1251 WeakPolarHBondContact O-CB 3.43Å; T1247-L1251 VanDerWaalsContact O-CG 3.3Å; T1247-L1251 WeakPolarHBondContact O-CG 3.45Å; T1247-L1251 PolarHBondContact O-N 3.27Å; L1251-M1254 PolarHBondContact O-N 2.74Å; L1251-D1255 WeakPolarHBondContact O-CB 3.22Å; L1251-D1255 PolarHBondContact O-N 3.19Å; L1251-F1288 HydrophobicContact CD1-CD2 4.09Å; L1251-F1288 HydrophobicContact CD1-CE2 4.19Å; L1251-F1288 HydrophobicContact CD2-CD2 3.93Å |
| 1252 | W | 63.7 | Low | 54.1 | Low | 7 Ų | 7 | 48.2 Ų | 48.2 | 3% | 0.027 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.7 | -40.9 | 178 | 178.2 | 78.4 | 0 | 0 | 0 | 113 | F1159 C1162 D1163 A1166 C1227 I1248 I1249 S1250 D1255 R1256 | F1159-W1252 HydrophobicContact CD1-CB 4.37Å; F1159-W1252 AromaticContact CD1-CD1 3.88Å; F1159-W1252 HydrophobicContact CE1-CB 3.92Å; F1159-W1252 AromaticContact CE1-CD1 3.97Å; F1159-W1252 HydrophobicContact CE1-CG 4.4Å; F1159-W1252 HydrophobicContact CZ-CB 4.01Å; C1162-W1252 HydrophobicContact CB-CD2 3.66Å; C1162-W1252 HydrophobicContact CB-CE3 4.27Å; C1162-W1252 HydrophobicContact CB-CG 3.78Å; C1162-W1252 HydrophobicContact CB-CZ2 4.33Å; D1163-W1252 PolarHBondContact OD1-NE1 3.43Å; A1166-W1252 HydrophobicContact CB-CH2 3.6Å; A1166-W1252 HydrophobicContact CB-CZ2 3.44Å; A1166-W1252 VanDerWaalsContact CB-CZ2 3.44Å; C1227-W1252 HydrophobicContact CB-CH2 4.47Å; C1227-W1252 HydrophobicContact CB-CZ3 4.06Å; C1227-W1252 WeakPolarHBondContact SG-CH2 3.47Å; I1248-W1252 WeakPolarHBondContact O-CB 3.34Å; I1248-W1252 PolarHBondContact O-N 2.75Å; I1249-W1252 PolarHBondContact O-N 3.22Å; S1250-W1252 VanDerWaalsContact C-N 3.32Å; S1250-W1252 PolarHBondContact O-N 2.92Å; W1252-D1255 PolarHBondContact O-N 3.11Å; W1252-R1256 HydrophobicContact CZ2-CG 4.28Å; W1252-R1256 PolarHBondContact O-N 2.82Å; W1252-R1256 VanDerWaalsContact O-N 3.09Å |
| 1253 | L | 58.1 | Low | 53.7 | Low | 15 Ų | 15 | 41 Ų | 41 | 8% | 0.079 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -67 | -35.3 | 174.9 | -76 | 172.3 | 0 | 0 | 0 | 112.9 | L1224 I1249 S1250 G1257 | L1224-L1253 HydrophobicContact CD1-CD1 3.75Å; L1224-L1253 HydrophobicContact CD1-CD2 3.66Å; L1224-L1253 HydrophobicContact CD1-CG 4.39Å; L1224-L1253 HydrophobicContact CG-CD1 4.11Å; L1224-L1253 HydrophobicContact CG-CD2 3.97Å; I1249-L1253 HydrophobicContact CG2-CD1 3.85Å; I1249-L1253 HydrophobicContact CG2-CG 4.36Å; I1249-L1253 WeakPolarHBondContact O-CB 3.33Å; I1249-L1253 WeakPolarHBondContact O-CG 3.44Å; I1249-L1253 PolarHBondContact O-N 3.39Å; S1250-L1253 PolarHBondContact O-N 2.73Å; L1253-G1257 PolarHBondContact O-N 3.24Å |
| 1254 | M | 51.3 | Low | 53.6 | Low | 24 Ų | 24 | 36.5 Ų | 36.5 | 12% | 0.118 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.2 | -54.8 | 172.2 | -73.3 | 171.7 | 168.9 | 0 | 0 | 110.9 | S1250 L1251 R1256 G1257 F1294 I1295 | S1250-M1254 VanDerWaalsContact O-CG 3.28Å; S1250-M1254 WeakPolarHBondContact O-CG 3.47Å; S1250-M1254 PolarHBondContact O-N 3.1Å; L1251-M1254 PolarHBondContact O-N 2.74Å; M1254-R1256 PolarHBondContact O-N 3.13Å; M1254-G1257 PolarHBondContact O-N 3.5Å; M1254-G1257 VanDerWaalsContact O-N 3.14Å; M1254-F1294 HydrophobicContact CB-CD1 4.44Å; M1254-F1294 HydrophobicContact CB-CE1 4.19Å; M1254-F1294 WeakPolarHBondContact O-CE1 3.43Å; M1254-I1295 HydrophobicContact CE-CD1 3.71Å; M1254-I1295 HydrophobicContact CE-CG1 3.94Å |
| 1255 | D | 52.9 | Low | 53.4 | Low | 47 Ų | 47 | 38.9 Ų | 38.9 | 25% | 0.251 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -56.1 | -45.3 | -176.9 | -171.9 | 22 | 0 | 0 | 0 | 112.6 | Y1129 L1251 W1252 G1257 | Y1129-D1255 HydrophobicContact CE1-CB 4.27Å; Y1129-D1255 VanDerWaalsContact CE1-CG 3.47Å; Y1129-D1255 WeakPolarHBondContact CE1-OD1 3.24Å; Y1129-D1255 WeakPolarHBondContact CE1-OD2 3.48Å; Y1129-D1255 PolarHBondContact OH-OD2 2.94Å; L1251-D1255 WeakPolarHBondContact O-CB 3.22Å; L1251-D1255 PolarHBondContact O-N 3.19Å; W1252-D1255 PolarHBondContact O-N 3.11Å; D1255-G1257 VanDerWaalsContact C-N 3.33Å; D1255-G1257 PolarHBondContact O-N 3.05Å |
| 1256 | R | 55.7 | Low | 53 | Low | 126 Ų | 126 | 42 Ų | 42 | 48% | 0.475 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83 | -2.2 | -179.1 | -61.9 | -56.8 | -168.4 | 173.5 | -5.9 | 114.7 | D1163 W1252 M1254 Y1258 | D1163-R1256 IonicContact OD1-CZ 3.49Å; D1163-R1256 IonicContact OD1-NE 2.76Å; D1163-R1256 PolarHBondContact OD1-NE 3.48Å; D1163-R1256 IonicContact OD1-NH2 2.83Å; D1163-R1256 PolarHBondContact OD1-NH2 2.92Å; D1163-R1256 VanDerWaalsContact OD1-NH2 3.12Å; D1163-R1256 IonicContact OD2-CZ 3.12Å; D1163-R1256 IonicContact OD2-NE 3.19Å; D1163-R1256 IonicContact OD2-NH2 2.77Å; D1163-R1256 PolarHBondContact OD2-NH2 2.99Å; W1252-R1256 HydrophobicContact CZ2-CG 4.28Å; W1252-R1256 PolarHBondContact O-N 2.82Å; W1252-R1256 VanDerWaalsContact O-N 3.09Å; M1254-R1256 PolarHBondContact O-N 3.13Å; R1256-Y1258 HydrophobicContact CB-CD2 4.19Å; R1256-Y1258 VanDerWaalsContact O-CD2 3.31Å; R1256-Y1258 WeakPolarHBondContact O-CD2 3.49Å; R1256-Y1258 PolarHBondContact O-N 3.04Å; R1256-Y1258 VanDerWaalsContact O-N 3.09Å |
| 1257 | G | 41.7 | Very low | 52.8 | Low | 11 Ų | 11 | 40.5 Ų | 40.5 | 11% | 0.113 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.9 | 12 | 169.1 | 0 | 0 | 0 | 0 | 0 | 117 | L1253 M1254 D1255 F1259 Y1302 | L1253-G1257 PolarHBondContact O-N 3.24Å; M1254-G1257 PolarHBondContact O-N 3.5Å; M1254-G1257 VanDerWaalsContact O-N 3.14Å; D1255-G1257 VanDerWaalsContact C-N 3.33Å; D1255-G1257 PolarHBondContact O-N 3.05Å; G1257-F1259 VanDerWaalsContact C-N 3.32Å; G1257-F1259 PolarHBondContact O-N 2.8Å; G1257-Y1302 WeakPolarHBondContact O-CE2 3.4Å; G1257-Y1302 PolarHBondContact O-OH 3.34Å |
| 1258 | Y | 48.7 | Very low | 52.6 | Low | 99 Ų | 99 | 40.8 Ų | 40.8 | 39% | 0.388 | 21% | 0.208 | S | C | . | . | trans | -78.2 | 73.7 | -176.8 | -87.3 | -78.7 | 0 | 0 | 0 | 112.7 | L1170 R1256 | L1170-Y1258 WeakPolarHBondContact CD2-OH 2.88Å; R1256-Y1258 HydrophobicContact CB-CD2 4.19Å; R1256-Y1258 VanDerWaalsContact O-CD2 3.31Å; R1256-Y1258 WeakPolarHBondContact O-CD2 3.49Å; R1256-Y1258 PolarHBondContact O-N 3.04Å; R1256-Y1258 VanDerWaalsContact O-N 3.09Å | ||
| 1259 | F | 46.2 | Very low | 52.3 | Low | 20 Ų | 20 | 43.2 Ų | 43.2 | 9% | 0.088 | 23% | 0.225 | C | C | . | . | trans | -90.4 | 127 | 172.5 | -75.4 | -98.7 | 0 | 0 | 0 | 110.9 | G1257 I1267 L1298 F1299 Y1302 | G1257-F1259 VanDerWaalsContact C-N 3.32Å; G1257-F1259 PolarHBondContact O-N 2.8Å; F1259-I1267 HydrophobicContact CD1-CD1 4.26Å; F1259-I1267 HydrophobicContact CE1-CD1 3.61Å; F1259-I1267 HydrophobicContact CZ-CD1 4Å; F1259-L1298 HydrophobicContact CD2-CB 4.4Å; F1259-L1298 HydrophobicContact CD2-CD2 4.25Å; F1259-L1298 HydrophobicContact CE2-CB 4.22Å; F1259-L1298 HydrophobicContact CE2-CD1 3.79Å; F1259-L1298 HydrophobicContact CE2-CD2 4.27Å; F1259-L1298 HydrophobicContact CE2-CG 4.32Å; F1259-L1298 HydrophobicContact CZ-CD1 4.34Å; F1259-F1299 HydrophobicContact CD1-CD1 4.02Å; F1259-F1299 AromaticContact CD1-CE1 3.59Å; F1259-F1299 HydrophobicContact CD1-CE1 3.59Å; F1259-F1299 HydrophobicContact CE1-CD1 4.23Å; F1259-F1299 AromaticContact CE1-CE1 3.58Å; F1259-F1299 HydrophobicContact CE1-CE1 3.58Å; F1259-F1299 HydrophobicContact CE1-CZ 4.17Å; F1259-Y1302 HydrophobicContact CB-CD2 3.83Å; F1259-Y1302 HydrophobicContact CB-CE2 3.97Å; F1259-Y1302 HydrophobicContact CB-CG 4.49Å | ||
| 1260 | Q | 49.4 | Very low | 51.8 | Low | 58 Ų | 58 | 48 Ų | 48 | 27% | 0.271 | 25% | 0.245 | S | C | . | . | trans | -127.7 | 150.3 | 171.5 | -166.1 | 173 | -17.3 | 0 | 0 | 108.1 | S1218 S1220 S1262 I1263 S1264 | S1218-Q1260 VanDerWaalsContact OG-CD 3.3Å; S1218-Q1260 PolarHBondContact OG-NE2 3.03Å; S1218-Q1260 PolarHBondContact OG-OE1 3Å; S1220-Q1260 PolarHBondContact OG-OE1 2.84Å; Q1260-S1262 PolarHBondContact O-N 3.44Å; Q1260-I1263 HydrophobicContact CB-CD1 3.72Å; Q1260-I1263 HydrophobicContact CB-CG1 4.17Å; Q1260-I1263 WeakPolarHBondContact O-CA 3.22Å; Q1260-I1263 WeakPolarHBondContact O-CB 3.37Å; Q1260-I1263 PolarHBondContact O-N 3.02Å; Q1260-S1264 PolarHBondContact O-N 3.46Å; Q1260-S1264 VanDerWaalsContact O-N 3.09Å | ||
| 1261 | E | 42.8 | Very low | 51.6 | Low | 123 Ų | 123 | 48.5 Ų | 48.5 | 58% | 0.575 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -59.8 | -19.7 | -170.8 | -170.5 | 157.9 | -111.8 | 0 | 0 | 115 | S1264 Q1304 | E1261-S1264 PolarHBondContact O-OG 3.44Å; E1261-S1264 VanDerWaalsContact O-OG 3.11Å; E1261-Q1304 PolarHBondContact OE1-NE2 3.09Å |
| 1262 | S | 52 | Low | 51.1 | Low | 59 Ų | 59 | 49.8 Ų | 49.8 | 41% | 0.413 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -89.7 | -14.4 | 172.3 | 62.5 | 0 | 0 | 0 | 0 | 114.4 | Q1260 S1265 | Q1260-S1262 PolarHBondContact O-N 3.44Å; S1262-S1265 PolarHBondContact O-OG 3.17Å |
| 1263 | I | 51.2 | Low | 50.3 | Low | 8 Ų | 8 | 55.1 Ų | 55.1 | 4% | 0.041 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -96.4 | -28.8 | -179.5 | -55.5 | 167.1 | 0 | 0 | 0 | 109.8 | L1221 L1224 Q1260 S1265 D1266 I1267 | L1221-I1263 HydrophobicContact CD2-CD1 4Å; L1221-I1263 HydrophobicContact CD2-CG1 3.9Å; L1221-I1263 HydrophobicContact CG-CD1 4.46Å; L1224-I1263 HydrophobicContact CD1-CD1 3.64Å; L1224-I1263 HydrophobicContact CD1-CG1 4.12Å; L1224-I1263 HydrophobicContact CD1-CG2 3.93Å; Q1260-I1263 HydrophobicContact CB-CD1 3.72Å; Q1260-I1263 HydrophobicContact CB-CG1 4.17Å; Q1260-I1263 WeakPolarHBondContact O-CA 3.22Å; Q1260-I1263 WeakPolarHBondContact O-CB 3.37Å; Q1260-I1263 PolarHBondContact O-N 3.02Å; I1263-S1265 VanDerWaalsContact C-N 3.33Å; I1263-S1265 PolarHBondContact O-N 2.95Å; I1263-D1266 WeakPolarHBondContact O-CB 3.37Å; I1263-D1266 PolarHBondContact O-N 3.4Å; I1263-D1266 VanDerWaalsContact O-N 3.13Å; I1263-I1267 HydrophobicContact CG2-CD1 3.77Å; I1263-I1267 HydrophobicContact CG2-CG1 4.06Å; I1263-I1267 WeakPolarHBondContact O-CG1 3.44Å; I1263-I1267 PolarHBondContact O-N 3.03Å |
| 1264 | S | 51.2 | Low | 49.5 | Very low | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.007 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.1 | -38 | 177.6 | 52.7 | 0 | 0 | 0 | 0 | 111.9 | Q1260 E1261 M1268 Q1304 L1307 | Q1260-S1264 PolarHBondContact O-N 3.46Å; Q1260-S1264 VanDerWaalsContact O-N 3.09Å; E1261-S1264 PolarHBondContact O-OG 3.44Å; E1261-S1264 VanDerWaalsContact O-OG 3.11Å; S1264-M1268 WeakPolarHBondContact O-CB 3.47Å; S1264-M1268 PolarHBondContact O-N 3.05Å; S1264-Q1304 PolarHBondContact OG-OE1 2.77Å; S1264-L1307 WeakPolarHBondContact OG-CD1 3.42Å |
| 1265 | S | 53.9 | Low | 48.7 | Very low | 63 Ų | 63 | 60 Ų | 60 | 44% | 0.441 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -65.4 | -39.3 | 169.8 | 56.3 | 0 | 0 | 0 | 0 | 113.5 | S1262 I1263 S1269 | S1262-S1265 PolarHBondContact O-OG 3.17Å; I1263-S1265 VanDerWaalsContact C-N 3.33Å; I1263-S1265 PolarHBondContact O-N 2.95Å; S1265-S1269 WeakPolarHBondContact O-CB 3.47Å; S1265-S1269 PolarHBondContact O-N 3.17Å |
| 1266 | D | 54.4 | Low | 48 | Very low | 73 Ų | 73 | 66.1 Ų | 66.1 | 39% | 0.39 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.6 | -51.9 | 177 | -101.3 | 30.3 | 0 | 0 | 0 | 110.7 | R1228 I1263 M1268 S1269 F1270 | R1228-D1266 IonicContact NH1-OD2 3.61Å; R1228-D1266 IonicContact NH2-OD2 2.71Å; R1228-D1266 PolarHBondContact NH2-OD2 3.37Å; I1263-D1266 WeakPolarHBondContact O-CB 3.37Å; I1263-D1266 PolarHBondContact O-N 3.4Å; I1263-D1266 VanDerWaalsContact O-N 3.13Å; D1266-M1268 VanDerWaalsContact C-N 3.35Å; D1266-M1268 PolarHBondContact O-N 2.96Å; D1266-S1269 PolarHBondContact O-N 2.76Å; D1266-S1269 PolarHBondContact O-OG 3.29Å; D1266-F1270 PolarHBondContact O-N 3.05Å |
| 1267 | I | 51.2 | Low | 47.1 | Very low | 27 Ų | 27 | 65.3 Ų | 65.3 | 14% | 0.138 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61.5 | -43.6 | 177.9 | -70.5 | 174.4 | 0 | 0 | 0 | 110.6 | F1259 I1263 F1270 I1271 | F1259-I1267 HydrophobicContact CD1-CD1 4.26Å; F1259-I1267 HydrophobicContact CE1-CD1 3.61Å; F1259-I1267 HydrophobicContact CZ-CD1 4Å; I1263-I1267 HydrophobicContact CG2-CD1 3.77Å; I1263-I1267 HydrophobicContact CG2-CG1 4.06Å; I1263-I1267 WeakPolarHBondContact O-CG1 3.44Å; I1263-I1267 PolarHBondContact O-N 3.03Å; I1267-F1270 PolarHBondContact O-N 2.76Å; I1267-I1271 HydrophobicContact CG2-CD1 3.82Å; I1267-I1271 WeakPolarHBondContact O-CG1 3.36Å; I1267-I1271 PolarHBondContact O-N 3.45Å |
| 1268 | M | 50.2 | Low | 46.8 | Very low | 22 Ų | 22 | 70.4 Ų | 70.4 | 11% | 0.108 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -58.3 | -48.8 | 174.5 | -173.2 | 71.9 | 164 | 0 | 0 | 110.8 | S1264 D1266 F1270 I1271 M1272 L1307 D1310 L1311 | S1264-M1268 WeakPolarHBondContact O-CB 3.47Å; S1264-M1268 PolarHBondContact O-N 3.05Å; D1266-M1268 VanDerWaalsContact C-N 3.35Å; D1266-M1268 PolarHBondContact O-N 2.96Å; M1268-F1270 VanDerWaalsContact C-N 3.28Å; M1268-F1270 PolarHBondContact O-N 2.92Å; M1268-I1271 PolarHBondContact O-N 3.2Å; M1268-M1272 HydrophobicContact CE-CE 3.46Å; M1268-M1272 VanDerWaalsContact CE-CE 3.46Å; M1268-M1272 HydrophobicContact CG-CE 4.41Å; M1268-M1272 WeakPolarHBondContact O-CG 3.35Å; M1268-M1272 PolarHBondContact O-N 3.5Å; M1268-M1272 HydrophobicContact SD-CE 3.48Å; M1268-M1272 WeakPolarHBondContact SD-CE 3.37Å; M1268-L1307 HydrophobicContact CB-CD2 4.38Å; M1268-L1307 HydrophobicContact CG-CD2 4.17Å; M1268-D1310 VanDerWaalsContact CE-C 3.4Å; M1268-D1310 HydrophobicContact CE-CB 3.72Å; M1268-L1311 HydrophobicContact CE-CB 4.21Å; M1268-L1311 VanDerWaalsContact CE-N 3.32Å; M1268-L1311 HydrophobicContact SD-CB 4.2Å; M1268-L1311 HydrophobicContact SD-CD1 3.89Å |
| 1269 | S | 54.4 | Low | 46.3 | Very low | 50 Ų | 50 | 69.2 Ų | 69.2 | 35% | 0.35 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -61.5 | -35 | 176.8 | 81.8 | 0 | 0 | 0 | 0 | 112.5 | S1265 D1266 M1272 N1273 | S1265-S1269 WeakPolarHBondContact O-CB 3.47Å; S1265-S1269 PolarHBondContact O-N 3.17Å; D1266-S1269 PolarHBondContact O-N 2.76Å; D1266-S1269 PolarHBondContact O-OG 3.29Å; S1269-M1272 PolarHBondContact O-N 3.3Å; S1269-N1273 WeakPolarHBondContact O-CB 3.49Å; S1269-N1273 PolarHBondContact O-N 3.19Å; S1269-N1273 PolarHBondContact O-ND2 2.83Å |
| 1270 | F | 50.3 | Low | 45.9 | Very low | 122 Ų | 122 | 70.2 Ų | 70.2 | 54% | 0.535 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -71.7 | -33.7 | 178.6 | -153.7 | -87.9 | 0 | 0 | 0 | 112.4 | P1246 D1266 I1267 M1268 | P1246-F1270 HydrophobicContact CB-CE1 4.47Å; P1246-F1270 HydrophobicContact CB-CZ 3.86Å; D1266-F1270 PolarHBondContact O-N 3.05Å; I1267-F1270 PolarHBondContact O-N 2.76Å; M1268-F1270 VanDerWaalsContact C-N 3.28Å; M1268-F1270 PolarHBondContact O-N 2.92Å |
| 1271 | I | 49.7 | Very low | 45.4 | Very low | 44 Ų | 44 | 74 Ų | 74 | 23% | 0.226 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -73.4 | -31.6 | 174.1 | -68.5 | 168.8 | 0 | 0 | 0 | 111.6 | I1267 M1268 S1274 I1295 | I1267-I1271 HydrophobicContact CG2-CD1 3.82Å; I1267-I1271 WeakPolarHBondContact O-CG1 3.36Å; I1267-I1271 PolarHBondContact O-N 3.45Å; M1268-I1271 PolarHBondContact O-N 3.2Å; I1271-S1274 PolarHBondContact O-OG 2.91Å; I1271-S1274 VanDerWaalsContact O-OG 3.09Å; I1271-I1295 HydrophobicContact CD1-CD1 4.15Å |
| 1272 | M | 44.3 | Very low | 45.2 | Very low | 47 Ų | 47 | 74 Ų | 74 | 23% | 0.232 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -86.4 | -34.8 | 178.2 | -57.6 | -41.2 | 169.9 | 0 | 0 | 113.8 | M1268 S1269 S1274 L1311 H1314 | M1268-M1272 HydrophobicContact CE-CE 3.46Å; M1268-M1272 VanDerWaalsContact CE-CE 3.46Å; M1268-M1272 HydrophobicContact CG-CE 4.41Å; M1268-M1272 WeakPolarHBondContact O-CG 3.35Å; M1268-M1272 PolarHBondContact O-N 3.5Å; M1268-M1272 HydrophobicContact SD-CE 3.48Å; M1268-M1272 WeakPolarHBondContact SD-CE 3.37Å; S1269-M1272 PolarHBondContact O-N 3.3Å; M1272-S1274 VanDerWaalsContact C-N 3.33Å; M1272-S1274 PolarHBondContact O-N 3.26Å; M1272-L1311 HydrophobicContact CE-CD1 4.19Å; M1272-H1314 HydrophobicContact CE-CB 3.47Å; M1272-H1314 VanDerWaalsContact CE-CB 3.47Å; M1272-H1314 HydrophobicContact SD-CB 3.97Å; M1272-H1314 PolarHBondContact SD-CD2 3.14Å |
| 1273 | N | 46.7 | Very low | 44.7 | Very low | 118 Ų | 118 | 74.9 Ų | 74.9 | 63% | 0.631 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -86.5 | 2.5 | -176.6 | -64.1 | -23.6 | 0 | 0 | 0 | 113.8 | S1269 S1275 | S1269-N1273 WeakPolarHBondContact O-CB 3.49Å; S1269-N1273 PolarHBondContact O-N 3.19Å; S1269-N1273 PolarHBondContact O-ND2 2.83Å; N1273-S1275 PolarHBondContact O-N 2.71Å |
| 1274 | S | 41.8 | Very low | 44.2 | Very low | 41 Ų | 41 | 76.1 Ų | 76.1 | 29% | 0.287 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | 27.2 | 178.4 | 54.5 | 0 | 0 | 0 | 0 | 114.5 | I1271 M1272 Y1281 | I1271-S1274 PolarHBondContact O-OG 2.91Å; I1271-S1274 VanDerWaalsContact O-OG 3.09Å; M1272-S1274 VanDerWaalsContact C-N 3.33Å; M1272-S1274 PolarHBondContact O-N 3.26Å; S1274-Y1281 WeakPolarHBondContact OG-CE2 3.47Å |
| 1275 | S | 34 | Very low | 43.5 | Very low | 100 Ų | 100 | 79 Ų | 79 | 70% | 0.699 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | -14.7 | -172.2 | 45.2 | 0 | 0 | 0 | 0 | 114.9 | N1273 | N1273-S1275 PolarHBondContact O-N 2.71Š|
| 1276 | E | 38.7 | Very low | 42.9 | Very low | 176 Ų | 176 | 82 Ų | 82 | 82% | 0.822 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -106.1 | -3.8 | -169.8 | -61.5 | -164.4 | 144.5 | 0 | 0 | 116 | ||
| 1277 | I | 37 | Very low | 42.4 | Very low | 109 Ų | 109 | 82.4 Ų | 82.4 | 56% | 0.559 | 45% | 0.445 | S | S | * | . | trans | -128.8 | 92.1 | 178 | -53.5 | -178.5 | 0 | 0 | 0 | 110.9 | S1279 S1280 | I1277-S1279 PolarHBondContact O-N 3.5Å; I1277-S1279 VanDerWaalsContact O-N 3.08Å; I1277-S1280 PolarHBondContact O-OG 2.98Å | ||
| 1278 | P | 34.2 | Very low | 41.9 | Very low | 118 Ų | 118 | 83.8 Ų | 83.8 | 77% | 0.766 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -63.7 | -16 | -174.8 | -26.1 | 35.7 | 0 | 0 | 0 | 116.3 | ||
| 1279 | S | 39 | Very low | 41.3 | Very low | 74 Ų | 74 | 86.5 Ų | 86.5 | 52% | 0.517 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -92.3 | -15.2 | -171.6 | 53.8 | 0 | 0 | 0 | 0 | 115.2 | I1277 I1283 | I1277-S1279 PolarHBondContact O-N 3.5Å; I1277-S1279 VanDerWaalsContact O-N 3.08Å; S1279-I1283 WeakPolarHBondContact O-CG1 3.29Å; S1279-I1283 PolarHBondContact O-N 3.04Å |
| 1280 | S | 36.8 | Very low | 40.8 | Very low | 41 Ų | 41 | 88.7 Ų | 88.7 | 29% | 0.287 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -75.2 | -40.2 | 179.6 | 56.1 | 0 | 0 | 0 | 0 | 112.3 | I1277 Q1282 I1283 H1284 | I1277-S1280 PolarHBondContact O-OG 2.98Å; S1280-Q1282 VanDerWaalsContact C-N 3.28Å; S1280-Q1282 PolarHBondContact O-N 3.18Å; S1280-I1283 PolarHBondContact O-N 2.7Å; S1280-H1284 PolarHBondContact O-N 3.21Å |
| 1281 | Y | 39.4 | Very low | 40.8 | Very low | 137 Ų | 137 | 85.1 Ų | 85.1 | 54% | 0.537 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -58.7 | -39.4 | 176.7 | -110.8 | -88.4 | 0 | 0 | 0 | 112.4 | S1274 H1284 S1285 | S1274-Y1281 WeakPolarHBondContact OG-CE2 3.47Å; Y1281-H1284 WeakPolarHBondContact O-CB 3.37Å; Y1281-H1284 PolarHBondContact O-N 3.38Å; Y1281-S1285 PolarHBondContact O-N 3.48Å; Y1281-S1285 PolarHBondContact O-OG 3.05Å |
| 1282 | Q | 39.3 | Very low | 40.9 | Very low | 125 Ų | 125 | 87.7 Ų | 87.7 | 58% | 0.584 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -69.8 | -36.7 | -179.8 | -157.8 | 160.2 | 14.4 | 0 | 0 | 111.8 | S1280 H1284 S1285 D1286 | S1280-Q1282 VanDerWaalsContact C-N 3.28Å; S1280-Q1282 PolarHBondContact O-N 3.18Å; Q1282-H1284 VanDerWaalsContact C-N 3.32Å; Q1282-H1284 PolarHBondContact O-N 3.33Å; Q1282-S1285 WeakPolarHBondContact CA-OG 3.27Å; Q1282-S1285 PolarHBondContact O-N 3.29Å; Q1282-S1285 PolarHBondContact O-OG 3.3Å; Q1282-D1286 WeakPolarHBondContact O-CB 3.34Å; Q1282-D1286 PolarHBondContact O-N 3.11Å |
| 1283 | I | 41.7 | Very low | 41.3 | Very low | 77 Ų | 77 | 92.7 Ų | 92.7 | 40% | 0.395 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.4 | -32.3 | 172.7 | -64.6 | 168.6 | 0 | 0 | 0 | 111.5 | L1244 S1279 S1280 I1287 | L1244-I1283 HydrophobicContact CD2-CG2 4.39Å; S1279-I1283 WeakPolarHBondContact O-CG1 3.29Å; S1279-I1283 PolarHBondContact O-N 3.04Å; S1280-I1283 PolarHBondContact O-N 2.7Å; I1283-I1287 HydrophobicContact CG2-CD1 4.06Å; I1283-I1287 WeakPolarHBondContact O-CD1 3.37Å; I1283-I1287 VanDerWaalsContact O-CG1 3.29Å; I1283-I1287 WeakPolarHBondContact O-CG1 3.43Å |
| 1284 | H | 39.1 | Very low | 41.6 | Very low | 33 Ų | 33 | 91.7 Ų | 91.7 | 15% | 0.153 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -69.7 | -42.9 | 171.6 | -95 | -105.9 | 0 | 0 | 0 | 112.7 | T1247 S1280 Y1281 Q1282 I1287 F1288 Q1291 | T1247-H1284 VanDerWaalsContact CB-NE2 3.34Å; T1247-H1284 WeakPolarHBondContact CB-NE2 3.15Å; T1247-H1284 VanDerWaalsContact CG2-NE2 3.29Å; T1247-H1284 WeakPolarHBondContact CG2-NE2 3.19Å; T1247-H1284 PolarHBondContact OG1-CD2 2.76Å; T1247-H1284 VanDerWaalsContact OG1-CD2 3.28Å; T1247-H1284 PolarHBondContact OG1-NE2 3.01Å; S1280-H1284 PolarHBondContact O-N 3.21Å; Y1281-H1284 WeakPolarHBondContact O-CB 3.37Å; Y1281-H1284 PolarHBondContact O-N 3.38Å; Q1282-H1284 VanDerWaalsContact C-N 3.32Å; Q1282-H1284 PolarHBondContact O-N 3.33Å; H1284-I1287 PolarHBondContact O-N 3.41Å; H1284-F1288 PolarHBondContact O-N 3.29Å; H1284-F1288 VanDerWaalsContact O-N 3.14Å; H1284-Q1291 PolarHBondContact ND1-OE1 3.2Å; H1284-Q1291 PolarHBondContact O-NE2 3.3Å; H1284-Q1291 VanDerWaalsContact O-NE2 3.16Å |
| 1285 | S | 37.1 | Very low | 42.3 | Very low | 62 Ų | 62 | 90.4 Ų | 90.4 | 43% | 0.434 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -68.7 | -35.5 | -178.9 | 59.5 | 0 | 0 | 0 | 0 | 113.2 | Y1281 Q1282 I1287 | Y1281-S1285 PolarHBondContact O-N 3.48Å; Y1281-S1285 PolarHBondContact O-OG 3.05Å; Q1282-S1285 WeakPolarHBondContact CA-OG 3.27Å; Q1282-S1285 PolarHBondContact O-N 3.29Å; Q1282-S1285 PolarHBondContact O-OG 3.3Å; S1285-I1287 PolarHBondContact O-N 3.07Å |
| 1286 | D | 40.9 | Very low | 43.3 | Very low | 126 Ų | 126 | 87.6 Ų | 87.6 | 67% | 0.674 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -9 | -177.1 | -66.4 | 1.8 | 0 | 0 | 0 | 112.8 | Q1282 | Q1282-D1286 WeakPolarHBondContact O-CB 3.34Å; Q1282-D1286 PolarHBondContact O-N 3.11Å |
| 1287 | I | 44.1 | Very low | 44.2 | Very low | 81 Ų | 81 | 84.9 Ų | 84.9 | 42% | 0.415 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.3 | -39.9 | 179.6 | -59.7 | 175 | 0 | 0 | 0 | 111.9 | I1283 H1284 S1285 | I1283-I1287 HydrophobicContact CG2-CD1 4.06Å; I1283-I1287 WeakPolarHBondContact O-CD1 3.37Å; I1283-I1287 VanDerWaalsContact O-CG1 3.29Å; I1283-I1287 WeakPolarHBondContact O-CG1 3.43Å; H1284-I1287 PolarHBondContact O-N 3.41Å; S1285-I1287 PolarHBondContact O-N 3.07Å |
| 1288 | F | 40.9 | Very low | 44.9 | Very low | 57 Ų | 57 | 80.4 Ų | 80.4 | 25% | 0.25 | 42% | 0.419 | C | S | . | . | trans | -141.7 | 104.4 | -179.7 | -69.7 | -60.7 | 0 | 0 | 0 | 113.8 | Y1129 L1251 H1284 Q1291 | Y1129-F1288 HydrophobicContact CD1-CE1 4.42Å; Y1129-F1288 HydrophobicContact CD2-CD1 4.49Å; Y1129-F1288 AromaticContact CD2-CE1 3.36Å; Y1129-F1288 HydrophobicContact CD2-CE1 3.36Å; Y1129-F1288 AromaticContact CD2-CZ 3.52Å; Y1129-F1288 HydrophobicContact CD2-CZ 3.52Å; Y1129-F1288 HydrophobicContact CE2-CE1 4.08Å; Y1129-F1288 AromaticContact CE2-CZ 3.72Å; Y1129-F1288 HydrophobicContact CE2-CZ 3.72Å; Y1129-F1288 HydrophobicContact CG-CD1 4.36Å; Y1129-F1288 AromaticContact CG-CE1 3.6Å; Y1129-F1288 HydrophobicContact CG-CE1 3.6Å; Y1129-F1288 HydrophobicContact CG-CZ 4.02Å; L1251-F1288 HydrophobicContact CD1-CD2 4.09Å; L1251-F1288 HydrophobicContact CD1-CE2 4.19Å; L1251-F1288 HydrophobicContact CD2-CD2 3.93Å; H1284-F1288 PolarHBondContact O-N 3.29Å; H1284-F1288 VanDerWaalsContact O-N 3.14Å; F1288-Q1291 HydrophobicContact CB-CG 4.45Å; F1288-Q1291 PolarHBondContact O-NE2 3.25Å | ||
| 1289 | P | 38 | Very low | 46.1 | Very low | 79 Ų | 79 | 74.9 Ų | 74.9 | 51% | 0.513 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | 164.2 | 167.9 | -23.7 | 36 | 0 | 0 | 0 | 113.7 | L1127 Q1291 | L1127-P1289 HydrophobicContact CD2-CB 4.17Å; L1127-P1289 HydrophobicContact CD2-CG 3.96Å; P1289-Q1291 PolarHBondContact O-N 3.49Å |
| 1290 | N | 44.6 | Very low | 46.8 | Very low | 96 Ų | 96 | 75.5 Ų | 75.5 | 51% | 0.513 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.2 | 7.1 | 170.9 | -58.3 | -25.9 | 0 | 0 | 0 | 119.6 | I1292 H1293 | N1290-I1292 VanDerWaalsContact C-N 3.28Å; N1290-I1292 PolarHBondContact O-N 3.26Å; N1290-H1293 PolarHBondContact O-N 2.89Å; N1290-H1293 VanDerWaalsContact O-N 3.14Å |
| 1291 | Q | 49.7 | Very low | 47.4 | Very low | 46 Ų | 46 | 80.5 Ų | 80.5 | 22% | 0.215 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -46.3 | -39.6 | -176.9 | -70.1 | 169.9 | 50.3 | 0 | 0 | 115.5 | H1284 F1288 P1289 H1293 F1294 I1295 | H1284-Q1291 PolarHBondContact ND1-OE1 3.2Å; H1284-Q1291 PolarHBondContact O-NE2 3.3Å; H1284-Q1291 VanDerWaalsContact O-NE2 3.16Å; F1288-Q1291 HydrophobicContact CB-CG 4.45Å; F1288-Q1291 PolarHBondContact O-NE2 3.25Å; P1289-Q1291 PolarHBondContact O-N 3.49Å; Q1291-H1293 PolarHBondContact O-N 3.1Å; Q1291-F1294 PolarHBondContact O-N 3.3Å; Q1291-I1295 WeakPolarHBondContact O-CG1 3.13Å; Q1291-I1295 PolarHBondContact O-N 3.17Å |
| 1292 | I | 52.3 | Low | 48.1 | Very low | 98 Ų | 98 | 79.6 Ų | 79.6 | 50% | 0.503 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -61 | -38.9 | -176.9 | -62.2 | 175.5 | 0 | 0 | 0 | 113 | N1290 F1294 I1295 I1296 L1315 | N1290-I1292 VanDerWaalsContact C-N 3.28Å; N1290-I1292 PolarHBondContact O-N 3.26Å; I1292-F1294 VanDerWaalsContact C-N 3.3Å; I1292-F1294 PolarHBondContact O-N 2.79Å; I1292-I1295 PolarHBondContact O-N 3.41Å; I1292-I1296 HydrophobicContact CG2-CD1 4.02Å; I1292-I1296 PolarHBondContact O-N 3.44Å; I1292-L1315 HydrophobicContact CG2-CD1 4.15Å |
| 1293 | H | 51 | Low | 48.6 | Very low | 152 Ų | 152 | 75.1 Ų | 75.1 | 70% | 0.704 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -68.5 | -34.4 | -176.7 | -163.4 | 74.4 | 0 | 0 | 0 | 111.6 | N1290 Q1291 H1297 | N1290-H1293 PolarHBondContact O-N 2.89Å; N1290-H1293 VanDerWaalsContact O-N 3.14Å; Q1291-H1293 PolarHBondContact O-N 3.1Å; H1293-H1297 PolarHBondContact O-N 3.32Å |
| 1294 | F | 54.9 | Low | 49.6 | Very low | 98 Ų | 98 | 72.3 Ų | 72.3 | 43% | 0.43 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -67.7 | -40.5 | 177.2 | -169 | -122.4 | 0 | 0 | 0 | 112 | M1254 Q1291 I1292 I1296 H1297 L1298 | M1254-F1294 HydrophobicContact CB-CD1 4.44Å; M1254-F1294 HydrophobicContact CB-CE1 4.19Å; M1254-F1294 WeakPolarHBondContact O-CE1 3.43Å; Q1291-F1294 PolarHBondContact O-N 3.3Å; I1292-F1294 VanDerWaalsContact C-N 3.3Å; I1292-F1294 PolarHBondContact O-N 2.79Å; F1294-I1296 PolarHBondContact O-N 3.2Å; F1294-H1297 PolarHBondContact O-N 3.05Å; F1294-L1298 HydrophobicContact CD1-CD1 3.67Å; F1294-L1298 HydrophobicContact CD2-CD1 4.5Å; F1294-L1298 HydrophobicContact CE1-CD1 3.58Å; F1294-L1298 HydrophobicContact CE2-CD1 4.41Å; F1294-L1298 HydrophobicContact CG-CD1 4.15Å; F1294-L1298 HydrophobicContact CZ-CD1 3.97Å; F1294-L1298 WeakPolarHBondContact O-CG 3.45Å; F1294-L1298 PolarHBondContact O-N 3.25Å |
| 1295 | I | 55 | Low | 50.4 | Low | 14 Ų | 14 | 70.9 Ų | 70.9 | 7% | 0.072 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -60.3 | -46.1 | 175.6 | -61.1 | 166.8 | 0 | 0 | 0 | 111.3 | M1254 I1271 Q1291 I1292 H1297 L1298 F1299 L1311 | M1254-I1295 HydrophobicContact CE-CD1 3.71Å; M1254-I1295 HydrophobicContact CE-CG1 3.94Å; I1271-I1295 HydrophobicContact CD1-CD1 4.15Å; Q1291-I1295 WeakPolarHBondContact O-CG1 3.13Å; Q1291-I1295 PolarHBondContact O-N 3.17Å; I1292-I1295 PolarHBondContact O-N 3.41Å; I1295-H1297 VanDerWaalsContact C-N 3.31Å; I1295-H1297 PolarHBondContact O-N 3.23Å; I1295-L1298 PolarHBondContact O-N 3.07Å; I1295-F1299 HydrophobicContact CG2-CD2 3.78Å; I1295-F1299 HydrophobicContact CG2-CE2 3.48Å; I1295-F1299 VanDerWaalsContact CG2-CE2 3.48Å; I1295-F1299 HydrophobicContact CG2-CZ 4.2Å; I1295-F1299 PolarHBondContact O-N 2.69Å; I1295-L1311 HydrophobicContact CG2-CD2 3.77Å |
| 1296 | I | 56.4 | Low | 51.3 | Low | 40 Ų | 40 | 73.3 Ų | 73.3 | 21% | 0.205 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -64.5 | -36.8 | 179.8 | -65.5 | 165.1 | 0 | 0 | 0 | 111.3 | I1292 F1294 N1300 L1311 L1312 | I1292-I1296 HydrophobicContact CG2-CD1 4.02Å; I1292-I1296 PolarHBondContact O-N 3.44Å; F1294-I1296 PolarHBondContact O-N 3.2Å; I1296-N1300 PolarHBondContact O-N 2.96Å; I1296-N1300 PolarHBondContact O-ND2 2.87Å; I1296-L1311 HydrophobicContact CG1-CD2 4.01Å; I1296-L1312 HydrophobicContact CD1-CD2 3.91Å; I1296-L1312 HydrophobicContact CG1-CD2 4.41Å |
| 1297 | H | 57.2 | Low | 52.2 | Low | 120 Ų | 120 | 69.1 Ų | 69.1 | 56% | 0.556 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -66.7 | -43.7 | 174.4 | -172.5 | -69.1 | 0 | 0 | 0 | 111.9 | H1293 F1294 I1295 N1300 M1301 | H1293-H1297 PolarHBondContact O-N 3.32Å; F1294-H1297 PolarHBondContact O-N 3.05Å; I1295-H1297 VanDerWaalsContact C-N 3.31Å; I1295-H1297 PolarHBondContact O-N 3.23Å; H1297-N1300 PolarHBondContact O-N 3.05Å; H1297-M1301 PolarHBondContact O-N 3.29Å |
| 1298 | L | 51.1 | Low | 52.8 | Low | 15 Ų | 15 | 65.4 Ų | 65.4 | 8% | 0.079 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -64 | -48.4 | -179.7 | -81.3 | 159.3 | 0 | 0 | 0 | 112.5 | F1259 F1294 I1295 N1300 M1301 Y1302 | F1259-L1298 HydrophobicContact CD2-CB 4.4Å; F1259-L1298 HydrophobicContact CD2-CD2 4.25Å; F1259-L1298 HydrophobicContact CE2-CB 4.22Å; F1259-L1298 HydrophobicContact CE2-CD1 3.79Å; F1259-L1298 HydrophobicContact CE2-CD2 4.27Å; F1259-L1298 HydrophobicContact CE2-CG 4.32Å; F1259-L1298 HydrophobicContact CZ-CD1 4.34Å; F1294-L1298 HydrophobicContact CD1-CD1 3.67Å; F1294-L1298 HydrophobicContact CD2-CD1 4.5Å; F1294-L1298 HydrophobicContact CE1-CD1 3.58Å; F1294-L1298 HydrophobicContact CE2-CD1 4.41Å; F1294-L1298 HydrophobicContact CG-CD1 4.15Å; F1294-L1298 HydrophobicContact CZ-CD1 3.97Å; F1294-L1298 WeakPolarHBondContact O-CG 3.45Å; F1294-L1298 PolarHBondContact O-N 3.25Å; I1295-L1298 PolarHBondContact O-N 3.07Å; L1298-N1300 VanDerWaalsContact C-N 3.31Å; L1298-N1300 PolarHBondContact O-N 2.73Å; L1298-M1301 PolarHBondContact O-N 3.25Å; L1298-M1301 VanDerWaalsContact O-N 3.09Å; L1298-Y1302 HydrophobicContact CD2-CE2 4.47Å; L1298-Y1302 WeakPolarHBondContact O-CD2 3.32Å |
| 1299 | F | 59.7 | Low | 53.5 | Low | 1 Ų | 1 | 68 Ų | 68 | 0% | 0.004 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63.5 | -35 | 178.8 | -70.7 | -39.6 | 0 | 0 | 0 | 112.9 | F1259 I1295 M1301 Y1302 Q1304 I1308 L1311 | F1259-F1299 HydrophobicContact CD1-CD1 4.02Å; F1259-F1299 AromaticContact CD1-CE1 3.59Å; F1259-F1299 HydrophobicContact CD1-CE1 3.59Å; F1259-F1299 HydrophobicContact CE1-CD1 4.23Å; F1259-F1299 AromaticContact CE1-CE1 3.58Å; F1259-F1299 HydrophobicContact CE1-CE1 3.58Å; F1259-F1299 HydrophobicContact CE1-CZ 4.17Å; I1295-F1299 HydrophobicContact CG2-CD2 3.78Å; I1295-F1299 HydrophobicContact CG2-CE2 3.48Å; I1295-F1299 VanDerWaalsContact CG2-CE2 3.48Å; I1295-F1299 HydrophobicContact CG2-CZ 4.2Å; I1295-F1299 PolarHBondContact O-N 2.69Å; F1299-M1301 VanDerWaalsContact C-N 3.27Å; F1299-M1301 PolarHBondContact O-N 2.96Å; F1299-Y1302 PolarHBondContact O-N 2.63Å; F1299-Q1304 HydrophobicContact CD1-CB 4.45Å; F1299-Q1304 PolarHBondContact O-N 2.79Å; F1299-I1308 HydrophobicContact CB-CD1 4.16Å; F1299-I1308 HydrophobicContact CB-CG1 3.5Å; F1299-I1308 VanDerWaalsContact CB-CG1 3.5Å; F1299-L1311 HydrophobicContact CD2-CD2 4.09Å; F1299-L1311 HydrophobicContact CE2-CD2 4.03Å |
| 1300 | N | 52.5 | Low | 54.5 | Low | 88 Ų | 88 | 67.5 Ų | 67.5 | 47% | 0.471 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -59.7 | -36.1 | 172.7 | -94.8 | -65.9 | 0 | 0 | 0 | 112.7 | I1296 H1297 L1298 Y1302 I1308 | I1296-N1300 PolarHBondContact O-N 2.96Å; I1296-N1300 PolarHBondContact O-ND2 2.87Å; H1297-N1300 PolarHBondContact O-N 3.05Å; L1298-N1300 VanDerWaalsContact C-N 3.31Å; L1298-N1300 PolarHBondContact O-N 2.73Å; N1300-Y1302 VanDerWaalsContact C-N 3.33Å; N1300-Y1302 PolarHBondContact O-N 3.34Å; N1300-I1308 HydrophobicContact CB-CD1 4.22Å |
| 1301 | M | 51 | Low | 55 | Low | 146 Ų | 146 | 63.3 Ų | 63.3 | 72% | 0.719 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -76 | -19.4 | -173.4 | -152.9 | 170.3 | -171.6 | 0 | 0 | 113.9 | H1297 L1298 F1299 | H1297-M1301 PolarHBondContact O-N 3.29Å; L1298-M1301 PolarHBondContact O-N 3.25Å; L1298-M1301 VanDerWaalsContact O-N 3.09Å; F1299-M1301 VanDerWaalsContact C-N 3.27Å; F1299-M1301 PolarHBondContact O-N 2.96Å |
| 1302 | Y | 53.9 | Low | 55.1 | Low | 118 Ų | 118 | 61.8 Ų | 61.8 | 46% | 0.463 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108 | 9.8 | -178.3 | -69.5 | -71.1 | 0 | 0 | 0 | 114.5 | G1257 F1259 L1298 F1299 N1300 Q1304 | G1257-Y1302 WeakPolarHBondContact O-CE2 3.4Å; G1257-Y1302 PolarHBondContact O-OH 3.34Å; F1259-Y1302 HydrophobicContact CB-CD2 3.83Å; F1259-Y1302 HydrophobicContact CB-CE2 3.97Å; F1259-Y1302 HydrophobicContact CB-CG 4.49Å; L1298-Y1302 HydrophobicContact CD2-CE2 4.47Å; L1298-Y1302 WeakPolarHBondContact O-CD2 3.32Å; F1299-Y1302 PolarHBondContact O-N 2.63Å; N1300-Y1302 VanDerWaalsContact C-N 3.33Å; N1300-Y1302 PolarHBondContact O-N 3.34Å; Y1302-Q1304 PolarHBondContact O-N 2.75Å |
| 1303 | G | 49.1 | Very low | 55.1 | Low | 30 Ų | 30 | 61.8 Ų | 61.8 | 31% | 0.309 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.2 | 14.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115 | G1305 | G1303-G1305 PolarHBondContact O-N 3.07Š|
| 1304 | Q | 62.5 | Low | 55.2 | Low | 18 Ų | 18 | 58.2 Ų | 58.2 | 8% | 0.084 | 29% | 0.287 | C | S | . | . | trans | -76.6 | 50.2 | -177.5 | -71.7 | -71.7 | -80.6 | 0 | 0 | 112.3 | E1261 S1264 F1299 Y1302 D1306 L1307 I1308 | E1261-Q1304 PolarHBondContact OE1-NE2 3.09Å; S1264-Q1304 PolarHBondContact OG-OE1 2.77Å; F1299-Q1304 HydrophobicContact CD1-CB 4.45Å; F1299-Q1304 PolarHBondContact O-N 2.79Å; Y1302-Q1304 PolarHBondContact O-N 2.75Å; Q1304-D1306 PolarHBondContact O-N 2.93Å; Q1304-L1307 PolarHBondContact O-N 2.78Å; Q1304-L1307 VanDerWaalsContact O-N 3.17Å; Q1304-I1308 PolarHBondContact O-N 3.41Å; Q1304-I1308 VanDerWaalsContact O-N 3.12Å | ||
| 1305 | G | 55.6 | Low | 54.8 | Low | 3 Ų | 3 | 56.4 Ų | 56.4 | 3% | 0.031 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -69.1 | -34.5 | -160.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | G1303 L1307 I1308 H1309 N1325 | G1303-G1305 PolarHBondContact O-N 3.07Å; G1305-L1307 PolarHBondContact O-N 2.6Å; G1305-I1308 WeakPolarHBondContact O-CB 3.44Å; G1305-I1308 PolarHBondContact O-N 2.83Å; G1305-H1309 PolarHBondContact O-N 3.46Å; G1305-N1325 VanDerWaalsContact C-OD1 3.25Å; G1305-N1325 WeakPolarHBondContact CA-OD1 3.3Å |
| 1306 | D | 57 | Low | 54 | Low | 113 Ų | 113 | 57.3 Ų | 57.3 | 60% | 0.604 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -65 | -32.2 | 175.2 | -66.5 | -48 | 0 | 0 | 0 | 111.4 | Q1304 H1309 D1310 N1325 | Q1304-D1306 PolarHBondContact O-N 2.93Å; D1306-H1309 CarbonylContact O-C 3.3Å; D1306-H1309 WeakPolarHBondContact O-CB 3.27Å; D1306-H1309 PolarHBondContact O-N 3.07Å; D1306-D1310 PolarHBondContact O-N 2.86Å; D1306-N1325 PolarHBondContact N-OD1 3.3Å; D1306-N1325 PolarHBondContact OD1-ND2 2.78Å |
| 1307 | L | 59.8 | Low | 53.2 | Low | 38 Ų | 38 | 61.2 Ų | 61.2 | 20% | 0.199 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -79.3 | -28.3 | 176.4 | -76.2 | 154.6 | 0 | 0 | 0 | 112.9 | S1264 M1268 Q1304 G1305 H1309 L1311 | S1264-L1307 WeakPolarHBondContact OG-CD1 3.42Å; M1268-L1307 HydrophobicContact CB-CD2 4.38Å; M1268-L1307 HydrophobicContact CG-CD2 4.17Å; Q1304-L1307 PolarHBondContact O-N 2.78Å; Q1304-L1307 VanDerWaalsContact O-N 3.17Å; G1305-L1307 PolarHBondContact O-N 2.6Å; L1307-H1309 VanDerWaalsContact C-N 3.3Å; L1307-L1311 WeakPolarHBondContact O-CB 2.95Å; L1307-L1311 PolarHBondContact O-N 3.34Å |
| 1308 | I | 57.3 | Low | 52.5 | Low | 3 Ų | 3 | 60.7 Ų | 60.7 | 2% | 0.015 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.4 | -45.6 | 163.1 | -57.6 | 170.2 | 0 | 0 | 0 | 109 | F1299 N1300 Q1304 G1305 D1310 L1311 L1312 S1323 L1324 | F1299-I1308 HydrophobicContact CB-CD1 4.16Å; F1299-I1308 HydrophobicContact CB-CG1 3.5Å; F1299-I1308 VanDerWaalsContact CB-CG1 3.5Å; N1300-I1308 HydrophobicContact CB-CD1 4.22Å; Q1304-I1308 PolarHBondContact O-N 3.41Å; Q1304-I1308 VanDerWaalsContact O-N 3.12Å; G1305-I1308 WeakPolarHBondContact O-CB 3.44Å; G1305-I1308 PolarHBondContact O-N 2.83Å; I1308-D1310 PolarHBondContact O-N 3.49Å; I1308-L1311 PolarHBondContact O-N 3.43Å; I1308-L1312 HydrophobicContact CG2-CD1 3.71Å; I1308-L1312 HydrophobicContact CG2-CG 4.34Å; I1308-L1312 VanDerWaalsContact O-CB 3.32Å; I1308-L1312 WeakPolarHBondContact O-CB 3.27Å; I1308-L1312 WeakPolarHBondContact O-CG 3.35Å; I1308-L1312 PolarHBondContact O-N 3.02Å; I1308-S1323 WeakPolarHBondContact CG2-O 3.28Å; I1308-L1324 WeakPolarHBondContact CB-O 3.37Å |
| 1309 | H | 53.9 | Low | 51.6 | Low | 111 Ų | 111 | 66.3 Ų | 66.3 | 51% | 0.514 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -63.1 | -43.5 | 179.6 | -161.6 | -15.4 | 0 | 0 | 0 | 111.3 | G1305 D1306 L1307 K1313 | G1305-H1309 PolarHBondContact O-N 3.46Å; D1306-H1309 CarbonylContact O-C 3.3Å; D1306-H1309 WeakPolarHBondContact O-CB 3.27Å; D1306-H1309 PolarHBondContact O-N 3.07Å; L1307-H1309 VanDerWaalsContact C-N 3.3Å; H1309-K1313 WeakPolarHBondContact O-CB 3.32Å; H1309-K1313 PolarHBondContact O-N 3.43Å |
| 1310 | D | 59.6 | Low | 49.9 | Very low | 69 Ų | 69 | 73 Ų | 73 | 37% | 0.369 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -73.6 | -33.8 | 177.6 | -87.7 | -18.3 | 0 | 0 | 0 | 113.5 | M1268 D1306 I1308 K1313 H1314 | M1268-D1310 VanDerWaalsContact CE-C 3.4Å; M1268-D1310 HydrophobicContact CE-CB 3.72Å; D1306-D1310 PolarHBondContact O-N 2.86Å; I1308-D1310 PolarHBondContact O-N 3.49Å; D1310-K1313 PolarHBondContact O-N 3.16Å; D1310-K1313 WeakPolarHBondContact OD1-CD 3.27Å; D1310-K1313 WeakPolarHBondContact OD1-CE 3.33Å; D1310-K1313 IonicContact OD1-NZ 3.72Å; D1310-K1313 PolarHBondContact OD1-NZ 2.93Å; D1310-H1314 WeakPolarHBondContact O-CB 3.37Å; D1310-H1314 PolarHBondContact O-N 3.16Å |
| 1311 | L | 54.7 | Low | 48.7 | Very low | 8 Ų | 8 | 72.2 Ų | 72.2 | 4% | 0.042 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -63.3 | -49.3 | 172.7 | -176.1 | 81.3 | 0 | 0 | 0 | 110.2 | M1268 M1272 I1295 I1296 F1299 L1307 I1308 K1313 H1314 L1315 | M1268-L1311 HydrophobicContact CE-CB 4.21Å; M1268-L1311 VanDerWaalsContact CE-N 3.32Å; M1268-L1311 HydrophobicContact SD-CB 4.2Å; M1268-L1311 HydrophobicContact SD-CD1 3.89Å; M1272-L1311 HydrophobicContact CE-CD1 4.19Å; I1295-L1311 HydrophobicContact CG2-CD2 3.77Å; I1296-L1311 HydrophobicContact CG1-CD2 4.01Å; F1299-L1311 HydrophobicContact CD2-CD2 4.09Å; F1299-L1311 HydrophobicContact CE2-CD2 4.03Å; L1307-L1311 WeakPolarHBondContact O-CB 2.95Å; L1307-L1311 PolarHBondContact O-N 3.34Å; I1308-L1311 PolarHBondContact O-N 3.43Å; L1311-K1313 VanDerWaalsContact C-N 3.31Å; L1311-K1313 PolarHBondContact O-N 2.91Å; L1311-H1314 PolarHBondContact O-N 2.83Å; L1311-L1315 HydrophobicContact CG-CD1 4.18Å; L1311-L1315 WeakPolarHBondContact O-CB 3.39Å; L1311-L1315 WeakPolarHBondContact O-CG 3.49Å; L1311-L1315 PolarHBondContact O-N 2.99Å |
| 1312 | L | 52.1 | Low | 47.5 | Very low | 15 Ų | 15 | 70.3 Ų | 70.3 | 8% | 0.079 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -65.7 | -34.7 | 175.7 | -68.4 | 174.3 | 0 | 0 | 0 | 111.1 | I1296 I1308 H1314 L1315 T1316 S1323 | I1296-L1312 HydrophobicContact CD1-CD2 3.91Å; I1296-L1312 HydrophobicContact CG1-CD2 4.41Å; I1308-L1312 HydrophobicContact CG2-CD1 3.71Å; I1308-L1312 HydrophobicContact CG2-CG 4.34Å; I1308-L1312 VanDerWaalsContact O-CB 3.32Å; I1308-L1312 WeakPolarHBondContact O-CB 3.27Å; I1308-L1312 WeakPolarHBondContact O-CG 3.35Å; I1308-L1312 PolarHBondContact O-N 3.02Å; L1312-H1314 PolarHBondContact O-N 3.34Å; L1312-L1315 HydrophobicContact CD2-CD1 4.3Å; L1312-L1315 CarbonylContact O-C 3.43Å; L1312-L1315 PolarHBondContact O-N 3Å; L1312-T1316 WeakPolarHBondContact O-CB 3.29Å; L1312-T1316 WeakPolarHBondContact O-CG2 3.27Å; L1312-T1316 PolarHBondContact O-N 3.27Å; L1312-T1316 PolarHBondContact O-OG1 3.02Å; L1312-S1323 VanDerWaalsContact CD1-N 3.29Å; L1312-S1323 VanDerWaalsContact CD1-O 3.31Å; L1312-S1323 WeakPolarHBondContact CD1-O 3.49Å |
| 1313 | K | 52.4 | Low | 46.4 | Very low | 98 Ų | 98 | 68 Ų | 68 | 43% | 0.426 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -67.4 | -32.6 | 174.8 | -177.2 | -168.8 | -175.4 | -178.9 | 0 | 112.9 | H1309 D1310 L1311 T1316 N1317 | H1309-K1313 WeakPolarHBondContact O-CB 3.32Å; H1309-K1313 PolarHBondContact O-N 3.43Å; D1310-K1313 PolarHBondContact O-N 3.16Å; D1310-K1313 WeakPolarHBondContact OD1-CD 3.27Å; D1310-K1313 WeakPolarHBondContact OD1-CE 3.33Å; D1310-K1313 IonicContact OD1-NZ 3.72Å; D1310-K1313 PolarHBondContact OD1-NZ 2.93Å; L1311-K1313 VanDerWaalsContact C-N 3.31Å; L1311-K1313 PolarHBondContact O-N 2.91Å; K1313-T1316 VanDerWaalsContact CA-OG1 3.26Å; K1313-T1316 WeakPolarHBondContact CA-OG1 3.34Å; K1313-T1316 PolarHBondContact O-N 3.22Å; K1313-T1316 PolarHBondContact O-OG1 3.24Å; K1313-N1317 VanDerWaalsContact O-CB 3.25Å; K1313-N1317 WeakPolarHBondContact O-CB 3.14Å; K1313-N1317 PolarHBondContact O-N 2.81Å; K1313-N1317 PolarHBondContact O-ND2 3.17Å; K1313-N1317 PolarHBondContact O-OD1 3.29Å |
| 1314 | H | 53.7 | Low | 45.4 | Very low | 77 Ų | 77 | 73 Ų | 73 | 36% | 0.356 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -76.8 | -34.6 | 173.2 | -147.3 | -58.1 | 0 | 0 | 0 | 111.7 | M1272 D1310 L1311 L1312 T1316 N1318 | M1272-H1314 HydrophobicContact CE-CB 3.47Å; M1272-H1314 VanDerWaalsContact CE-CB 3.47Å; M1272-H1314 HydrophobicContact SD-CB 3.97Å; M1272-H1314 PolarHBondContact SD-CD2 3.14Å; D1310-H1314 WeakPolarHBondContact O-CB 3.37Å; D1310-H1314 PolarHBondContact O-N 3.16Å; L1311-H1314 PolarHBondContact O-N 2.83Å; L1312-H1314 PolarHBondContact O-N 3.34Å; H1314-T1316 VanDerWaalsContact C-N 3.34Å; H1314-N1318 PolarHBondContact ND1-ND2 3.3Å; H1314-N1318 WeakPolarHBondContact O-CB 3.34Å; H1314-N1318 PolarHBondContact O-N 3.46Å; H1314-N1318 VanDerWaalsContact O-N 3.1Å |
| 1315 | L | 45.6 | Very low | 43.9 | Very low | 60 Ų | 60 | 74.5 Ų | 74.5 | 31% | 0.314 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -68.7 | -29.2 | 167.8 | -67.6 | 167.3 | 0 | 0 | 0 | 111.9 | I1292 L1311 L1312 N1318 N1319 | I1292-L1315 HydrophobicContact CG2-CD1 4.15Å; L1311-L1315 HydrophobicContact CG-CD1 4.18Å; L1311-L1315 WeakPolarHBondContact O-CB 3.39Å; L1311-L1315 WeakPolarHBondContact O-CG 3.49Å; L1311-L1315 PolarHBondContact O-N 2.99Å; L1312-L1315 HydrophobicContact CD2-CD1 4.3Å; L1312-L1315 CarbonylContact O-C 3.43Å; L1312-L1315 PolarHBondContact O-N 3Å; L1315-N1318 CarbonylContact O-C 3.57Å; L1315-N1319 CarbonylContact O-C 3.59Å; L1315-N1319 PolarHBondContact O-N 3.06Å |
| 1316 | T | 38 | Very low | 42.7 | Very low | 33 Ų | 33 | 83.7 Ų | 83.7 | 20% | 0.202 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -81.3 | -35.4 | 175.7 | 66.3 | 0 | 0 | 0 | 0 | 113 | L1312 K1313 H1314 N1318 N1319 N1320 S1321 | L1312-T1316 WeakPolarHBondContact O-CB 3.29Å; L1312-T1316 WeakPolarHBondContact O-CG2 3.27Å; L1312-T1316 PolarHBondContact O-N 3.27Å; L1312-T1316 PolarHBondContact O-OG1 3.02Å; K1313-T1316 VanDerWaalsContact CA-OG1 3.26Å; K1313-T1316 WeakPolarHBondContact CA-OG1 3.34Å; K1313-T1316 PolarHBondContact O-N 3.22Å; K1313-T1316 PolarHBondContact O-OG1 3.24Å; H1314-T1316 VanDerWaalsContact C-N 3.34Å; T1316-N1318 PolarHBondContact O-N 3.15Å; T1316-N1319 CarbonylContact O-C 3.24Å; T1316-N1319 VanDerWaalsContact O-C 3.24Å; T1316-N1319 WeakPolarHBondContact O-CA 3.27Å; T1316-N1319 PolarHBondContact O-N 3.11Å; T1316-N1320 VanDerWaalsContact CA-N 3.33Å; T1316-N1320 PolarHBondContact O-N 2.59Å; T1316-S1321 WeakPolarHBondContact CG2-O 3.43Å |
| 1317 | N | 41.2 | Very low | 41.4 | Very low | 122 Ų | 122 | 84.6 Ų | 84.6 | 65% | 0.652 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -72 | -23.2 | 174.7 | -69.2 | -5.6 | 0 | 0 | 0 | 110.4 | K1313 | K1313-N1317 VanDerWaalsContact O-CB 3.25Å; K1313-N1317 WeakPolarHBondContact O-CB 3.14Å; K1313-N1317 PolarHBondContact O-N 2.81Å; K1313-N1317 PolarHBondContact O-ND2 3.17Å; K1313-N1317 PolarHBondContact O-OD1 3.29Å |
| 1318 | N | 41.2 | Very low | 40 | Very low | 109 Ų | 109 | 88 Ų | 88 | 58% | 0.583 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -92.3 | -12.9 | 167.9 | -67.6 | -13.5 | 0 | 0 | 0 | 114.4 | H1314 L1315 T1316 | H1314-N1318 PolarHBondContact ND1-ND2 3.3Å; H1314-N1318 WeakPolarHBondContact O-CB 3.34Å; H1314-N1318 PolarHBondContact O-N 3.46Å; H1314-N1318 VanDerWaalsContact O-N 3.1Å; L1315-N1318 CarbonylContact O-C 3.57Å; T1316-N1318 PolarHBondContact O-N 3.15Å |
| 1319 | N | 32.2 | Very low | 38.8 | Very low | 132 Ų | 132 | 95.3 Ų | 95.3 | 71% | 0.706 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | 163.8 | 108.7 | 131.3 | -87.1 | -69 | 0 | 0 | 0 | 113.8 | L1315 T1316 | L1315-N1319 CarbonylContact O-C 3.59Å; L1315-N1319 PolarHBondContact O-N 3.06Å; T1316-N1319 CarbonylContact O-C 3.24Å; T1316-N1319 VanDerWaalsContact O-C 3.24Å; T1316-N1319 WeakPolarHBondContact O-CA 3.27Å; T1316-N1319 PolarHBondContact O-N 3.11Å |
| 1320 | N | 25.1 | Very low | 37.6 | Very low | 142 Ų | 142 | 97.1 Ų | 97.1 | 76% | 0.759 | 53% | 0.527 | S | S | * | . | trans | 31.7 | 91.8 | 164.5 | -64.8 | -38.6 | 0 | 0 | 0 | 121.3 | T1316 | T1316-N1320 VanDerWaalsContact CA-N 3.33Å; T1316-N1320 PolarHBondContact O-N 2.59Å | ||
| 1321 | S | 26.8 | Very low | 36.2 | Very low | 72 Ų | 72 | 102.3 Ų | 102.3 | 50% | 0.503 | 55% | 0.554 | S | S | . | * | trans | -167.9 | 140.4 | 159.3 | 41.1 | 0 | 0 | 0 | 0 | 116 | T1316 | T1316-S1321 WeakPolarHBondContact CG2-O 3.43Š| ||
| 1322 | S | 26.3 | Very low | 34.9 | Very low | 106 Ų | 106 | 111.6 Ų | 111.6 | 74% | 0.741 | 59% | 0.594 | S | S | * | * | trans | -117.9 | 155.6 | -154.9 | 51.8 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1323 | S | 29.2 | Very low | 34.1 | Very low | 70 Ų | 70 | 118 Ų | 118 | 49% | 0.49 | 63% | 0.633 | S | S | . | * | trans | 147 | 120.6 | 139.1 | 57.9 | 0 | 0 | 0 | 0 | 122.7 | I1308 L1312 | I1308-S1323 WeakPolarHBondContact CG2-O 3.28Å; L1312-S1323 VanDerWaalsContact CD1-N 3.29Å; L1312-S1323 VanDerWaalsContact CD1-O 3.31Å; L1312-S1323 WeakPolarHBondContact CD1-O 3.49Å | ||
| 1324 | L | 28.8 | Very low | 33.3 | Very low | 135 Ų | 135 | 119 Ų | 119 | 71% | 0.707 | 65% | 0.65 | S | S | * | * | trans | 82.7 | 161 | 134.6 | -65.4 | 165.8 | 0 | 0 | 0 | 127.1 | I1308 | I1308-L1324 WeakPolarHBondContact CB-O 3.37Š| ||
| 1325 | N | 30.6 | Very low | 32.3 | Very low | 49 Ų | 49 | 122.1 Ų | 122.1 | 26% | 0.262 | 67% | 0.668 | S | S | . | * | trans | -164.6 | 163.7 | -152.8 | -170.5 | -12.8 | 0 | 0 | 0 | 119.2 | G1305 D1306 | G1305-N1325 VanDerWaalsContact C-OD1 3.25Å; G1305-N1325 WeakPolarHBondContact CA-OD1 3.3Å; D1306-N1325 PolarHBondContact N-OD1 3.3Å; D1306-N1325 PolarHBondContact OD1-ND2 2.78Å | ||
| 1326 | Y | 31.3 | Very low | 31.7 | Very low | 195 Ų | 195 | 123.3 Ų | 123.3 | 77% | 0.765 | 68% | 0.682 | S | S | * | * | trans | 139.7 | 164.9 | 150.1 | -81.5 | -75.3 | 0 | 0 | 0 | 124.8 | ||||
| 1327 | N | 30 | Very low | 31.1 | Very low | 133 Ų | 133 | 127.4 Ų | 127.4 | 71% | 0.711 | 70% | 0.697 | S | S | * | * | trans | -144.8 | -175.2 | -157.4 | -155.3 | -13.6 | 0 | 0 | 0 | 120.8 | ||||
| 1328 | S | 30.7 | Very low | 30.4 | Very low | 110 Ų | 110 | 133.3 Ų | 133.3 | 77% | 0.769 | 71% | 0.71 | S | S | * | * | trans | -155.1 | -177.3 | -167.6 | 76.1 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1329 | N | 32.2 | Very low | 29.7 | Very low | 156 Ų | 156 | 136.8 Ų | 136.8 | 83% | 0.834 | 72% | 0.723 | S | S | * | * | trans | -170.3 | 156.5 | 175.6 | -134.1 | -28.4 | 0 | 0 | 0 | 123.7 | ||||
| 1330 | N | 28.7 | Very low | 29.4 | Very low | 149 Ų | 149 | 138.7 Ų | 138.7 | 80% | 0.797 | 73% | 0.725 | S | S | * | * | trans | 119.7 | 140.3 | 154.7 | -79.6 | -15.9 | 0 | 0 | 0 | 127.5 | ||||
| 1331 | L | 28.8 | Very low | 29.5 | Very low | 177 Ų | 177 | 140.8 Ų | 140.8 | 93% | 0.927 | 73% | 0.728 | S | S | * | * | trans | 112.5 | 145.7 | 152.7 | -71.2 | 166.6 | 0 | 0 | 0 | 126.2 | ||||
| 1332 | K | 28.9 | Very low | 29.6 | Very low | 204 Ų | 204 | 145.1 Ų | 145.1 | 89% | 0.887 | 75% | 0.745 | S | S | * | * | trans | 177 | 135.7 | 169.2 | -110 | 179.5 | 179.7 | -176.8 | 0 | 120.2 | ||||
| 1333 | V | 33.7 | Very low | 29.5 | Very low | 150 Ų | 150 | 149.2 Ų | 149.2 | 91% | 0.909 | 75% | 0.75 | S | S | * | * | trans | -173.2 | 142.6 | 159.5 | -147.5 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1334 | P | 36.9 | Very low | 29.5 | Very low | 119 Ų | 119 | 150.7 Ų | 150.7 | 77% | 0.773 | 76% | 0.756 | S | S | * | * | trans | -163.2 | 166.2 | 155.5 | 41 | -19.7 | 0 | 0 | 0 | 125.1 | ||||
| 1335 | L | 32.1 | Very low | 29.4 | Very low | 142 Ų | 142 | 148.5 Ų | 148.5 | 74% | 0.743 | 75% | 0.752 | S | S | * | * | trans | 105 | 166.4 | 139.4 | -82.7 | 167.2 | 0 | 0 | 0 | 130.9 | Y722 | Y722-L1335 HydrophobicContact CD1-CD2 3.91Å; Y722-L1335 HydrophobicContact CE1-CD2 3.64Å | ||
| 1336 | S | 32.3 | Very low | 29.2 | Very low | 85 Ų | 85 | 150.7 Ų | 150.7 | 59% | 0.594 | 77% | 0.767 | S | S | * | * | trans | -160.6 | 176.5 | -159.6 | 71 | 0 | 0 | 0 | 0 | 120.3 | Y722 | Y722-S1336 VanDerWaalsContact CD1-O 3.24Å; Y722-S1336 WeakPolarHBondContact CD1-O 3.38Å | ||
| 1337 | F | 26.7 | Very low | 29 | Very low | 119 Ų | 119 | 149.3 Ų | 149.3 | 52% | 0.522 | 77% | 0.771 | S | S | . | * | trans | 159.5 | 131.2 | 143.5 | -166.9 | -131.6 | 0 | 0 | 0 | 118.1 | Y722 F1340 | Y722-F1337 HydrophobicContact CD1-CB 4.49Å; Y722-F1337 HydrophobicContact CD2-CB 3.55Å; Y722-F1337 AromaticContact CD2-CD1 3.63Å; Y722-F1337 HydrophobicContact CD2-CD1 3.63Å; Y722-F1337 AromaticContact CD2-CD2 3.77Å; Y722-F1337 HydrophobicContact CD2-CD2 3.77Å; Y722-F1337 HydrophobicContact CD2-CE1 4.13Å; Y722-F1337 HydrophobicContact CD2-CE2 4.25Å; Y722-F1337 AromaticContact CD2-CG 3.43Å; Y722-F1337 HydrophobicContact CD2-CG 3.43Å; Y722-F1337 VanDerWaalsContact CD2-CG 3.43Å; Y722-F1337 HydrophobicContact CD2-CZ 4.41Å; Y722-F1337 HydrophobicContact CE2-CB 3.74Å; Y722-F1337 AromaticContact CE2-CD1 3.96Å; Y722-F1337 HydrophobicContact CE2-CD1 3.96Å; Y722-F1337 AromaticContact CE2-CD2 3.21Å; Y722-F1337 HydrophobicContact CE2-CD2 3.21Å; Y722-F1337 HydrophobicContact CE2-CE1 4.28Å; Y722-F1337 AromaticContact CE2-CE2 3.6Å; Y722-F1337 HydrophobicContact CE2-CE2 3.6Å; Y722-F1337 AromaticContact CE2-CG 3.42Å; Y722-F1337 HydrophobicContact CE2-CG 3.42Å; Y722-F1337 VanDerWaalsContact CE2-CG 3.42Å; Y722-F1337 HydrophobicContact CE2-CZ 4.11Å; Y722-F1337 HydrophobicContact CG-CB 3.99Å; Y722-F1337 HydrophobicContact CG-CG 4.35Å; Y722-F1337 AromaticContact CZ-CD2 3.94Å; F1337-F1340 HydrophobicContact CZ-CB 4.21Å | ||
| 1338 | R | 25.2 | Very low | 28.8 | Very low | 245 Ų | 245 | 145.3 Ų | 145.3 | 93% | 0.925 | 75% | 0.752 | S | S | * | * | trans | -156.9 | 8.7 | 169.8 | -149.3 | -169.7 | 171.1 | 167.8 | -1.1 | 119.4 | ||||
| 1339 | Q | 27 | Very low | 28.6 | Very low | 182 Ų | 182 | 145.6 Ų | 145.6 | 85% | 0.85 | 75% | 0.751 | S | S | * | * | trans | -108 | -7.4 | -155.6 | -96.7 | 179 | -13.8 | 0 | 0 | 120.7 | ||||
| 1340 | F | 26.3 | Very low | 28.2 | Very low | 172 Ų | 172 | 141.1 Ų | 141.1 | 75% | 0.754 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -98 | 1.3 | -148.3 | -136.5 | -96.4 | 0 | 0 | 0 | 120.9 | F1337 | F1337-F1340 HydrophobicContact CZ-CB 4.21Š|
| 1341 | F | 28.1 | Very low | 28.2 | Very low | 187 Ų | 187 | 138.8 Ų | 138.8 | 82% | 0.82 | 72% | 0.722 | S | S | * | * | trans | -120.5 | 1.9 | -170.4 | -94.9 | -74.6 | 0 | 0 | 0 | 119.1 | K1343 | F1341-K1343 PolarHBondContact O-N 3.15Š| ||
| 1342 | N | 27 | Very low | 28.1 | Very low | 162 Ų | 162 | 136.9 Ų | 136.9 | 87% | 0.866 | 72% | 0.718 | S | S | * | * | trans | -90.9 | 79.1 | 174.9 | -87.1 | -5.2 | 0 | 0 | 0 | 113 | ||||
| 1343 | K | 25.3 | Very low | 28.4 | Very low | 192 Ų | 192 | 132.5 Ų | 132.5 | 84% | 0.835 | 71% | 0.711 | S | S | * | * | trans | -167.6 | 140.8 | 148.9 | -111.3 | 157.1 | -173.5 | 174.4 | 0 | 115.3 | F1341 | F1341-K1343 PolarHBondContact O-N 3.15Š| ||
| 1344 | T | 29.3 | Very low | 28.4 | Very low | 101 Ų | 101 | 130.1 Ų | 130.1 | 62% | 0.62 | 70% | 0.698 | S | S | * | * | S | Bend | trans | 58.9 | 106.9 | 162.8 | 63.3 | 0 | 0 | 0 | 0 | 120.1 | R1939 | T1344-R1939 PolarHBondContact O-NH1 3.39Å; T1344-R1939 PolarHBondContact O-NH2 3.27Å |
| 1345 | S | 27.2 | Very low | 27.9 | Very low | 90 Ų | 90 | 132 Ų | 132 | 63% | 0.629 | 70% | 0.702 | S | S | * | * | cis | -176.8 | 140.6 | -21.7 | 25.6 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 1346 | T | 24.9 | Very low | 27.6 | Very low | 94 Ų | 94 | 129.9 Ų | 129.9 | 58% | 0.577 | 70% | 0.699 | S | S | * | * | trans | -86.4 | 136.2 | 163.3 | 39.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1347 | I | 27.1 | Very low | 27.5 | Very low | 167 Ų | 167 | 134 Ų | 134 | 86% | 0.856 | 71% | 0.713 | S | S | * | * | trans | -138 | 126.1 | 151.5 | -58.7 | -177.7 | 0 | 0 | 0 | 105.7 | ||||
| 1348 | T | 26 | Very low | 27.4 | Very low | 49 Ų | 49 | 134.3 Ų | 134.3 | 30% | 0.301 | 73% | 0.725 | S | S | . | * | trans | -130.7 | 123.7 | -174.4 | -24.4 | 0 | 0 | 0 | 0 | 107.2 | N1934 L1935 | T1348-N1934 HydrophobicContact CG2-CB 4.36Å; T1348-L1935 PolarHBondContact OG1-O 2.83Å | ||
| 1349 | P | 27 | Very low | 27.5 | Very low | 115 Ų | 115 | 131.2 Ų | 131.2 | 75% | 0.747 | 72% | 0.723 | S | S | * | * | trans | -82.2 | 146.5 | -163.6 | 31.7 | -36.3 | 0 | 0 | 0 | 113.8 | ||||
| 1350 | T | 24.7 | Very low | 27.3 | Very low | 62 Ų | 62 | 128.7 Ų | 128.7 | 38% | 0.38 | 72% | 0.715 | S | S | . | * | trans | -146.4 | 161.1 | 157.2 | 22.1 | 0 | 0 | 0 | 0 | 109 | T1932 L1933 | T1350-T1932 VanDerWaalsContact OG1-CB 3.3Å; T1350-T1932 WeakPolarHBondContact OG1-CB 3.43Å; T1350-T1932 WeakPolarHBondContact OG1-CG2 3.45Å; T1350-L1933 HydrophobicContact CG2-CD1 3.56Å | ||
| 1351 | P | 28.7 | Very low | 27.3 | Very low | 100 Ų | 100 | 129 Ų | 129 | 65% | 0.649 | 72% | 0.718 | S | S | * | * | trans | -104.5 | 166.8 | -141.3 | 38.5 | -37.5 | 0 | 0 | 0 | 117.4 | ||||
| 1352 | T | 26.6 | Very low | 27.1 | Very low | 137 Ų | 137 | 126.9 Ų | 126.9 | 84% | 0.84 | 72% | 0.716 | S | S | * | * | trans | 79.8 | 150.5 | 156.9 | 36.8 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 1353 | P | 34 | Very low | 26.9 | Very low | 113 Ų | 113 | 126.3 Ų | 126.3 | 73% | 0.734 | 71% | 0.712 | S | S | * | * | trans | -130.7 | -151 | -158.5 | 47.2 | -27.8 | 0 | 0 | 0 | 110.9 | ||||
| 1354 | P | 33.6 | Very low | 27 | Very low | 100 Ų | 100 | 125 Ų | 125 | 65% | 0.649 | 71% | 0.714 | S | S | * | * | cis | -132.9 | 165.3 | -13.9 | 40.4 | -24.6 | 0 | 0 | 0 | 115.7 | ||||
| 1355 | N | 27.7 | Very low | 26.8 | Very low | 157 Ų | 157 | 126.5 Ų | 126.5 | 84% | 0.84 | 72% | 0.719 | S | S | * | * | -174.6 | 166.7 | 116.2 | -100.3 | -33.7 | 0 | 0 | 0 | 115.3 | |||||
| 1356 | S | 24.8 | Very low | 26.8 | Very low | 99 Ų | 99 | 129.8 Ų | 129.8 | 69% | 0.692 | 73% | 0.73 | S | S | * | * | trans | -60.4 | 146.2 | -167.2 | 56.9 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1357 | I | 29.6 | Very low | 27 | Very low | 171 Ų | 171 | 133.8 Ų | 133.8 | 88% | 0.877 | 74% | 0.741 | S | S | * | * | -156.5 | 142.9 | 110 | -98.7 | 156.7 | 0 | 0 | 0 | 109.7 | |||||
| 1358 | T | 24.3 | Very low | 27.5 | Very low | 126 Ų | 126 | 134.5 Ų | 134.5 | 77% | 0.773 | 74% | 0.738 | S | S | * | * | trans | -103.1 | 136.7 | -176.5 | 51.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1359 | M | 28.1 | Very low | 28.2 | Very low | 180 Ų | 180 | 139.7 Ų | 139.7 | 89% | 0.887 | 76% | 0.757 | S | S | * | * | trans | -152.9 | 156.5 | 145.5 | -103.6 | -53.4 | 161.2 | 0 | 0 | 112.4 | ||||
| 1360 | N | 22.9 | Very low | 29.1 | Very low | 128 Ų | 128 | 139.5 Ų | 139.5 | 68% | 0.684 | 75% | 0.75 | S | S | * | * | trans | -75.9 | 145.3 | -171.9 | -69.2 | -64.6 | 0 | 0 | 0 | 112.7 | ||||
| 1361 | H | 26.2 | Very low | 30.5 | Very low | 179 Ų | 179 | 137.3 Ų | 137.3 | 83% | 0.829 | 74% | 0.735 | S | S | * | * | -161 | 155.2 | 81.2 | -109.4 | -76.3 | 0 | 0 | 0 | 116.3 | N1363 | H1361-N1363 PolarHBondContact O-N 3.26Š| |||
| 1362 | N | 23.3 | Very low | 31.2 | Very low | 143 Ų | 143 | 140.4 Ų | 140.4 | 77% | 0.765 | 74% | 0.738 | S | S | * | * | trans | -57.4 | 114.1 | 178.9 | -63.9 | -34.1 | 0 | 0 | 0 | 114.3 | ||||
| 1363 | N | 24.5 | Very low | 32.2 | Very low | 149 Ų | 149 | 137.4 Ų | 137.4 | 80% | 0.797 | 72% | 0.721 | S | S | * | * | trans | -169 | 100.2 | 136.6 | -105 | -28.6 | 0 | 0 | 0 | 110.9 | H1361 | H1361-N1363 PolarHBondContact O-N 3.26Š| ||
| 1364 | N | 25.8 | Very low | 32.7 | Very low | 164 Ų | 164 | 139.4 Ų | 139.4 | 88% | 0.877 | 72% | 0.724 | S | S | * | * | trans | -138.5 | 89.8 | 168.5 | -116.3 | -22.2 | 0 | 0 | 0 | 110.5 | N1366 | N1364-N1366 PolarHBondContact O-N 2.78Å; N1364-N1366 VanDerWaalsContact O-N 3.12Å | ||
| 1365 | N | 25.9 | Very low | 33.5 | Very low | 133 Ų | 133 | 136.1 Ų | 136.1 | 71% | 0.711 | 71% | 0.709 | S | S | * | * | trans | -71.6 | 100.8 | 171 | -85.1 | -38.9 | 0 | 0 | 0 | 109.3 | H1367 | N1365-H1367 PolarHBondContact O-N 2.88Š| ||
| 1366 | N | 28 | Very low | 35.1 | Very low | 160 Ų | 160 | 129.5 Ų | 129.5 | 86% | 0.856 | 68% | 0.676 | S | S | * | * | trans | -60.7 | 101.8 | 163.2 | -93 | -35.4 | 0 | 0 | 0 | 108.9 | N1364 K1368 | N1364-N1366 PolarHBondContact O-N 2.78Å; N1364-N1366 VanDerWaalsContact O-N 3.12Å; N1366-K1368 PolarHBondContact O-N 3.19Å | ||
| 1367 | H | 29 | Very low | 36.9 | Very low | 178 Ų | 178 | 124.9 Ų | 124.9 | 82% | 0.824 | 64% | 0.643 | S | S | * | * | trans | -69.1 | 66 | 177.2 | -86.7 | -73.3 | 0 | 0 | 0 | 111.8 | N1365 F1369 | N1365-H1367 PolarHBondContact O-N 2.88Å; H1367-F1369 PolarHBondContact O-N 2.75Å | ||
| 1368 | K | 35.8 | Very low | 38.9 | Very low | 182 Ų | 182 | 121.3 Ų | 121.3 | 79% | 0.791 | 62% | 0.619 | S | S | * | * | trans | -70.4 | 110.4 | 173.7 | -154.9 | 167.4 | -169.9 | 170.9 | 0 | 107.9 | N1366 N1370 | N1366-K1368 PolarHBondContact O-N 3.19Å; K1368-N1370 PolarHBondContact O-N 2.62Å | ||
| 1369 | F | 42.2 | Very low | 40.9 | Very low | 158 Ų | 158 | 120.5 Ų | 120.5 | 69% | 0.693 | 61% | 0.61 | S | S | * | * | trans | -51.5 | 109.8 | 179.8 | -91.9 | -89.5 | 0 | 0 | 0 | 110.4 | H1367 M1371 | H1367-F1369 PolarHBondContact O-N 2.75Å; F1369-M1371 VanDerWaalsContact C-N 3.34Å; F1369-M1371 HydrophobicContact CB-CE 4.37Å; F1369-M1371 PolarHBondContact O-N 3.14Å | ||
| 1370 | N | 45.7 | Very low | 42.8 | Very low | 111 Ų | 111 | 112.9 Ų | 112.9 | 59% | 0.594 | 58% | 0.576 | S | S | * | * | trans | -82.7 | 77.3 | -169.3 | -172.8 | 14.1 | 0 | 0 | 0 | 110.5 | K1368 K1372 P1373 | K1368-N1370 PolarHBondContact O-N 2.62Å; N1370-K1372 PolarHBondContact O-N 3Å; N1370-K1372 WeakPolarHBondContact OD1-CD 3.4Å; N1370-K1372 WeakPolarHBondContact OD1-CG 3.44Å; N1370-P1373 WeakPolarHBondContact O-CD 3.21Å | ||
| 1371 | M | 54.7 | Low | 45.4 | Very low | 15 Ų | 15 | 107 Ų | 107 | 7% | 0.074 | 54% | 0.544 | C | S | . | . | trans | -66.8 | 17.6 | -177.4 | -62.1 | -60.3 | -164.7 | 0 | 0 | 115.3 | F1369 A1376 A1380 L1419 I1422 A1426 R1428 | F1369-M1371 VanDerWaalsContact C-N 3.34Å; F1369-M1371 HydrophobicContact CB-CE 4.37Å; F1369-M1371 PolarHBondContact O-N 3.14Å; M1371-A1376 HydrophobicContact SD-CB 4.05Å; M1371-A1380 HydrophobicContact CE-CB 3.68Å; M1371-A1380 HydrophobicContact SD-CB 4.44Å; M1371-L1419 HydrophobicContact CE-CD1 3.99Å; M1371-I1422 HydrophobicContact CE-CG2 3.93Å; M1371-I1422 HydrophobicContact CG-CG2 3.81Å; M1371-A1426 HydrophobicContact CB-CB 3.75Å; M1371-R1428 WeakPolarHBondContact O-CD 3.25Å; M1371-R1428 PolarHBondContact O-NE 3.1Å | ||
| 1372 | K | 43.6 | Very low | 47.6 | Very low | 166 Ų | 166 | 99.9 Ų | 99.9 | 72% | 0.722 | 52% | 0.515 | S | S | * | . | trans | -72.6 | -34.1 | 179.9 | -68.9 | -176.2 | 178.8 | -178.7 | 0 | 114.9 | N1370 R1428 | N1370-K1372 PolarHBondContact O-N 3Å; N1370-K1372 WeakPolarHBondContact OD1-CD 3.4Å; N1370-K1372 WeakPolarHBondContact OD1-CG 3.44Å; K1372-R1428 PolarHBondContact O-NE 3.13Å; K1372-R1428 PolarHBondContact O-NH2 3.22Å | ||
| 1373 | P | 47.6 | Very low | 49.8 | Very low | 74 Ų | 74 | 98.5 Ų | 98.5 | 48% | 0.481 | 50% | 0.502 | S | S | . | . | S | Bend | trans | -61 | 148.3 | 175.6 | -23.8 | 34.9 | 0 | 0 | 0 | 113.1 | N1370 A1376 R1428 | N1370-P1373 WeakPolarHBondContact O-CD 3.21Å; P1373-A1376 HydrophobicContact CB-CB 4.37Å; P1373-A1376 WeakPolarHBondContact O-CB 3.35Å; P1373-A1376 PolarHBondContact O-N 3.36Å; P1373-R1428 PolarHBondContact O-NE 3.36Å |
| 1374 | I | 44.5 | Very low | 52.2 | Low | 155 Ų | 155 | 92.7 Ų | 92.7 | 80% | 0.795 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | 134.9 | 167.9 | -60.1 | 171.3 | 0 | 0 | 0 | 107.4 | A1376 | I1374-A1376 VanDerWaalsContact C-N 3.34Š|
| 1375 | G | 49.2 | Very low | 54.9 | Low | 31 Ų | 31 | 88.3 Ų | 88.3 | 32% | 0.32 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.9 | -5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | Y1378 L1379 | G1375-Y1378 WeakPolarHBondContact O-CB 3.24Å; G1375-Y1378 PolarHBondContact O-N 3.31Å; G1375-L1379 PolarHBondContact O-N 3.23Å; G1375-L1379 VanDerWaalsContact O-N 3.12Å |
| 1376 | A | 61.4 | Low | 56.8 | Low | 18 Ų | 18 | 84.3 Ų | 84.3 | 15% | 0.149 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -60 | -39.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114 | M1371 P1373 I1374 Y1378 L1379 A1380 | M1371-A1376 HydrophobicContact SD-CB 4.05Å; P1373-A1376 HydrophobicContact CB-CB 4.37Å; P1373-A1376 WeakPolarHBondContact O-CB 3.35Å; P1373-A1376 PolarHBondContact O-N 3.36Å; I1374-A1376 VanDerWaalsContact C-N 3.34Å; A1376-Y1378 VanDerWaalsContact C-N 3.32Å; A1376-Y1378 PolarHBondContact O-N 3.39Å; A1376-L1379 PolarHBondContact O-N 2.92Å; A1376-A1380 WeakPolarHBondContact O-CB 3.49Å; A1376-A1380 PolarHBondContact O-N 3.39Å; A1376-A1380 VanDerWaalsContact O-N 3.16Å |
| 1377 | P | 63.5 | Low | 58.5 | Low | 2 Ų | 2 | 80.4 Ų | 80.4 | 1% | 0.013 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -60.3 | -38.3 | 172.6 | -24.9 | 35.7 | 0 | 0 | 0 | 113.2 | A1380 L1381 R1428 D1431 L1432 L1435 | P1377-A1380 PolarHBondContact O-N 3.39Å; P1377-L1381 WeakPolarHBondContact O-CB 3.39Å; P1377-L1381 PolarHBondContact O-N 3.14Å; P1377-R1428 HydrophobicContact CG-CB 3.93Å; P1377-D1431 HydrophobicContact CG-CB 4.2Å; P1377-L1432 HydrophobicContact CB-CB 4.48Å; P1377-L1432 HydrophobicContact CB-CD1 4.19Å; P1377-L1435 HydrophobicContact CB-CD1 4.36Å |
| 1378 | Y | 71.2 | Confident | 60.4 | Low | 95 Ų | 95 | 73.3 Ų | 73.3 | 37% | 0.373 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -64.7 | -49.9 | 178.4 | 176.3 | -122.1 | 0 | 0 | 0 | 112.2 | G1375 A1376 A1380 L1381 S1382 L1435 | G1375-Y1378 WeakPolarHBondContact O-CB 3.24Å; G1375-Y1378 PolarHBondContact O-N 3.31Å; A1376-Y1378 VanDerWaalsContact C-N 3.32Å; A1376-Y1378 PolarHBondContact O-N 3.39Å; Y1378-A1380 PolarHBondContact O-N 2.78Å; Y1378-L1381 PolarHBondContact O-N 3.42Å; Y1378-S1382 VanDerWaalsContact O-CB 3.24Å; Y1378-S1382 WeakPolarHBondContact O-CB 3.36Å; Y1378-S1382 PolarHBondContact O-N 3.43Å; Y1378-L1435 HydrophobicContact CD2-CD1 4.29Å; Y1378-L1435 HydrophobicContact CD2-CD2 3.83Å; Y1378-L1435 HydrophobicContact CG-CD1 4.48Å; Y1378-L1435 HydrophobicContact CG-CD2 4.14Å |
| 1379 | L | 66.1 | Low | 61.8 | Low | 109 Ų | 109 | 68.9 Ų | 68.9 | 57% | 0.571 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -60.8 | -30 | 176.6 | -84.9 | 164.9 | 0 | 0 | 0 | 113 | G1375 A1376 K1383 | G1375-L1379 PolarHBondContact O-N 3.23Å; G1375-L1379 VanDerWaalsContact O-N 3.12Å; A1376-L1379 PolarHBondContact O-N 2.92Å; L1379-K1383 WeakPolarHBondContact O-CB 3.32Å; L1379-K1383 WeakPolarHBondContact O-CD 3.38Å; L1379-K1383 VanDerWaalsContact O-CG 3.22Å; L1379-K1383 WeakPolarHBondContact O-CG 3.37Å; L1379-K1383 PolarHBondContact O-N 2.76Å |
| 1380 | A | 67.7 | Low | 62.7 | Low | 21 Ų | 21 | 67.4 Ų | 67.4 | 17% | 0.174 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -80 | -42 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | M1371 A1376 P1377 Y1378 K1383 L1384 L1419 | M1371-A1380 HydrophobicContact CE-CB 3.68Å; M1371-A1380 HydrophobicContact SD-CB 4.44Å; A1376-A1380 WeakPolarHBondContact O-CB 3.49Å; A1376-A1380 PolarHBondContact O-N 3.39Å; A1376-A1380 VanDerWaalsContact O-N 3.16Å; P1377-A1380 PolarHBondContact O-N 3.39Å; Y1378-A1380 PolarHBondContact O-N 2.78Å; A1380-K1383 PolarHBondContact O-N 3.13Å; A1380-L1384 PolarHBondContact O-N 2.65Å; A1380-L1419 HydrophobicContact CB-CD1 3.53Å |
| 1381 | L | 78.8 | Confident | 63.2 | Low | 3 Ų | 3 | 64.4 Ų | 64.4 | 2% | 0.016 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -64.5 | -45.1 | 174.6 | -176 | 63.3 | 0 | 0 | 0 | 111.6 | P1377 Y1378 K1383 L1384 R1385 F1416 L1419 L1432 L1435 L1437 | P1377-L1381 WeakPolarHBondContact O-CB 3.39Å; P1377-L1381 PolarHBondContact O-N 3.14Å; Y1378-L1381 PolarHBondContact O-N 3.42Å; L1381-K1383 VanDerWaalsContact C-N 3.34Å; L1381-K1383 PolarHBondContact O-N 3.34Å; L1381-L1384 PolarHBondContact O-N 3.29Å; L1381-L1384 VanDerWaalsContact O-N 3.12Å; L1381-R1385 PolarHBondContact O-N 3.11Å; L1381-F1416 HydrophobicContact CD1-CD2 4.32Å; L1381-F1416 HydrophobicContact CD1-CE2 3.86Å; L1381-L1419 HydrophobicContact CB-CD2 4.16Å; L1381-L1419 HydrophobicContact CD1-CD2 4.03Å; L1381-L1432 HydrophobicContact CB-CD1 4.12Å; L1381-L1432 HydrophobicContact CD1-CD1 4.46Å; L1381-L1432 HydrophobicContact CD2-CD1 4.13Å; L1381-L1432 HydrophobicContact CG-CD1 4.48Å; L1381-L1435 HydrophobicContact CD2-CB 4.33Å; L1381-L1437 HydrophobicContact CD2-CD2 4.05Å |
| 1382 | S | 70.8 | Confident | 63.4 | Low | 31 Ų | 31 | 67.6 Ų | 67.6 | 22% | 0.217 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -58.9 | -42.5 | 175.2 | 174.3 | 0 | 0 | 0 | 0 | 112.1 | Y1378 N1386 | Y1378-S1382 VanDerWaalsContact O-CB 3.24Å; Y1378-S1382 WeakPolarHBondContact O-CB 3.36Å; Y1378-S1382 PolarHBondContact O-N 3.43Å; S1382-N1386 WeakPolarHBondContact O-CB 3.34Å; S1382-N1386 PolarHBondContact O-N 2.93Å; S1382-N1386 PolarHBondContact O-ND2 2.84Å |
| 1383 | K | 69.8 | Low | 63.9 | Low | 114 Ų | 114 | 65.8 Ų | 65.8 | 50% | 0.496 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -64.2 | -38.9 | 173.8 | -79 | 174.5 | -178.7 | 179.6 | 0 | 112.6 | L1379 A1380 L1381 L1387 | L1379-K1383 WeakPolarHBondContact O-CB 3.32Å; L1379-K1383 WeakPolarHBondContact O-CD 3.38Å; L1379-K1383 VanDerWaalsContact O-CG 3.22Å; L1379-K1383 WeakPolarHBondContact O-CG 3.37Å; L1379-K1383 PolarHBondContact O-N 2.76Å; A1380-K1383 PolarHBondContact O-N 3.13Å; L1381-K1383 VanDerWaalsContact C-N 3.34Å; L1381-K1383 PolarHBondContact O-N 3.34Å; K1383-L1387 WeakPolarHBondContact O-CB 3.26Å; K1383-L1387 PolarHBondContact O-N 3.33Å; K1383-L1387 VanDerWaalsContact O-N 3.1Å |
| 1384 | L | 75.2 | Confident | 63.9 | Low | 26 Ų | 26 | 66.8 Ų | 66.8 | 14% | 0.136 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -68 | -48.5 | 177.1 | -171.8 | 77.6 | 0 | 0 | 0 | 111.7 | A1380 L1381 N1386 L1387 I1388 F1416 L1419 | A1380-L1384 PolarHBondContact O-N 2.65Å; L1381-L1384 PolarHBondContact O-N 3.29Å; L1381-L1384 VanDerWaalsContact O-N 3.12Å; L1384-N1386 VanDerWaalsContact C-N 3.32Å; L1384-N1386 PolarHBondContact O-N 2.85Å; L1384-L1387 PolarHBondContact O-N 3.01Å; L1384-I1388 HydrophobicContact CD2-CD1 4.33Å; L1384-I1388 HydrophobicContact CG-CD1 4.01Å; L1384-I1388 WeakPolarHBondContact O-CG1 3.48Å; L1384-I1388 PolarHBondContact O-N 3.21Å; L1384-F1416 HydrophobicContact CD2-CB 3.83Å; L1384-F1416 HydrophobicContact CD2-CD2 3.72Å; L1384-F1416 HydrophobicContact CD2-CG 4.28Å; L1384-L1419 HydrophobicContact CB-CD2 4.31Å; L1384-L1419 HydrophobicContact CD2-CD2 3.96Å |
| 1385 | R | 81.6 | Confident | 64.2 | Low | 72 Ų | 72 | 62.2 Ų | 62.2 | 27% | 0.272 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -54.2 | -47.8 | 174.9 | -74.9 | -175.5 | 177.5 | 177.7 | 2.9 | 111.1 | L1381 L1387 I1388 Y1389 G1436 E1441 | L1381-R1385 PolarHBondContact O-N 3.11Å; R1385-L1387 VanDerWaalsContact C-N 3.28Å; R1385-L1387 PolarHBondContact O-N 2.87Å; R1385-I1388 PolarHBondContact O-N 2.87Å; R1385-Y1389 VanDerWaalsContact O-CB 3.3Å; R1385-Y1389 WeakPolarHBondContact O-CB 3.45Å; R1385-Y1389 PolarHBondContact O-N 3.23Å; R1385-G1436 PolarHBondContact NH2-O 3.29Å; R1385-E1441 WeakPolarHBondContact CG-OE1 3.49Å; R1385-E1441 IonicContact CZ-OE1 2.76Å; R1385-E1441 IonicContact CZ-OE2 3.62Å; R1385-E1441 IonicContact NE-OE1 3.67Å; R1385-E1441 PolarHBondContact NE-OE1 3.01Å; R1385-E1441 IonicContact NE-OE2 2.79Å; R1385-E1441 PolarHBondContact NE-OE2 3.19Å; R1385-E1441 IonicContact NH2-OE1 2.62Å; R1385-E1441 IonicContact NH2-OE2 3.58Å; R1385-E1441 PolarHBondContact NH2-OE2 3.4Å |
| 1386 | N | 66 | Low | 64.2 | Low | 49 Ų | 49 | 66.4 Ų | 66.4 | 26% | 0.262 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -61 | -31.9 | 175.6 | -88.3 | -77.8 | 0 | 0 | 0 | 114 | S1382 L1384 K1390 | S1382-N1386 WeakPolarHBondContact O-CB 3.34Å; S1382-N1386 PolarHBondContact O-N 2.93Å; S1382-N1386 PolarHBondContact O-ND2 2.84Å; L1384-N1386 VanDerWaalsContact C-N 3.32Å; L1384-N1386 PolarHBondContact O-N 2.85Å; N1386-K1390 WeakPolarHBondContact O-CB 3.27Å; N1386-K1390 VanDerWaalsContact O-CG 3.31Å; N1386-K1390 WeakPolarHBondContact O-CG 3.43Å; N1386-K1390 PolarHBondContact O-N 3.43Å; N1386-K1390 VanDerWaalsContact O-N 3.13Å |
| 1387 | L | 65.2 | Low | 63.6 | Low | 78 Ų | 78 | 72.1 Ų | 72.1 | 41% | 0.408 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -76.5 | -44.7 | 178.5 | -159 | 158.1 | 0 | 0 | 0 | 110.8 | K1383 L1384 R1385 K1390 M1391 | K1383-L1387 WeakPolarHBondContact O-CB 3.26Å; K1383-L1387 PolarHBondContact O-N 3.33Å; K1383-L1387 VanDerWaalsContact O-N 3.1Å; L1384-L1387 PolarHBondContact O-N 3.01Å; R1385-L1387 VanDerWaalsContact C-N 3.28Å; R1385-L1387 PolarHBondContact O-N 2.87Å; L1387-K1390 PolarHBondContact O-N 3.39Å; L1387-M1391 HydrophobicContact CD2-CG 4.24Å; L1387-M1391 HydrophobicContact CD2-SD 3.86Å; L1387-M1391 WeakPolarHBondContact O-CG 3.37Å; L1387-M1391 PolarHBondContact O-N 3.28Å |
| 1388 | I | 67.2 | Low | 62.7 | Low | 29 Ų | 29 | 75.9 Ų | 75.9 | 15% | 0.149 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -60.5 | -46.2 | 173.8 | -64.8 | 170.8 | 0 | 0 | 0 | 110.4 | L1384 R1385 K1390 M1391 N1392 A1412 W1440 | L1384-I1388 HydrophobicContact CD2-CD1 4.33Å; L1384-I1388 HydrophobicContact CG-CD1 4.01Å; L1384-I1388 WeakPolarHBondContact O-CG1 3.48Å; L1384-I1388 PolarHBondContact O-N 3.21Å; R1385-I1388 PolarHBondContact O-N 2.87Å; I1388-K1390 VanDerWaalsContact C-N 3.34Å; I1388-K1390 PolarHBondContact O-N 3.33Å; I1388-M1391 PolarHBondContact O-N 3.43Å; I1388-N1392 PolarHBondContact O-N 3.26Å; I1388-A1412 HydrophobicContact CD1-CB 4.11Å; I1388-A1412 HydrophobicContact CG1-CB 4.04Å; I1388-W1440 HydrophobicContact CD1-CH2 4.22Å; I1388-W1440 HydrophobicContact CD1-CZ3 4.22Å |
| 1389 | Y | 65.2 | Low | 61.5 | Low | 90 Ų | 90 | 77.6 Ų | 77.6 | 35% | 0.353 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -58.7 | -42.5 | 175.9 | -178 | -121.4 | 0 | 0 | 0 | 112.1 | R1385 M1391 N1392 R1393 | R1385-Y1389 VanDerWaalsContact O-CB 3.3Å; R1385-Y1389 WeakPolarHBondContact O-CB 3.45Å; R1385-Y1389 PolarHBondContact O-N 3.23Å; Y1389-M1391 VanDerWaalsContact C-N 3.34Å; Y1389-M1391 PolarHBondContact O-N 2.97Å; Y1389-N1392 PolarHBondContact O-N 2.94Å; Y1389-R1393 WeakPolarHBondContact O-CB 3.33Å; Y1389-R1393 PolarHBondContact O-N 3.41Å |
| 1390 | K | 61.3 | Low | 60.8 | Low | 127 Ų | 127 | 75.3 Ų | 75.3 | 55% | 0.552 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -64.2 | -33.9 | 173.6 | -78 | 176.3 | 179.9 | -179.9 | 0 | 113.2 | N1386 L1387 I1388 L1394 | N1386-K1390 WeakPolarHBondContact O-CB 3.27Å; N1386-K1390 VanDerWaalsContact O-CG 3.31Å; N1386-K1390 WeakPolarHBondContact O-CG 3.43Å; N1386-K1390 PolarHBondContact O-N 3.43Å; N1386-K1390 VanDerWaalsContact O-N 3.13Å; L1387-K1390 PolarHBondContact O-N 3.39Å; I1388-K1390 VanDerWaalsContact C-N 3.34Å; I1388-K1390 PolarHBondContact O-N 3.33Å; K1390-L1394 WeakPolarHBondContact O-CG 3.42Å; K1390-L1394 PolarHBondContact O-N 3.29Å; K1390-L1394 VanDerWaalsContact O-N 3.12Å |
| 1391 | M | 56.8 | Low | 60.6 | Low | 48 Ų | 48 | 78.5 Ų | 78.5 | 24% | 0.236 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -70.2 | -43.1 | 174.2 | -67.3 | -176.1 | 81.7 | 0 | 0 | 112.2 | L1387 I1388 Y1389 R1393 L1394 H1395 I1408 | L1387-M1391 HydrophobicContact CD2-CG 4.24Å; L1387-M1391 HydrophobicContact CD2-SD 3.86Å; L1387-M1391 WeakPolarHBondContact O-CG 3.37Å; L1387-M1391 PolarHBondContact O-N 3.28Å; I1388-M1391 PolarHBondContact O-N 3.43Å; Y1389-M1391 VanDerWaalsContact C-N 3.34Å; Y1389-M1391 PolarHBondContact O-N 2.97Å; M1391-R1393 VanDerWaalsContact C-N 3.33Å; M1391-R1393 PolarHBondContact O-N 3Å; M1391-L1394 WeakPolarHBondContact O-CB 3.25Å; M1391-L1394 PolarHBondContact O-N 2.88Å; M1391-H1395 PolarHBondContact O-N 2.99Å; M1391-I1408 HydrophobicContact CB-CG2 4.41Å; M1391-I1408 HydrophobicContact CE-CB 4.21Å; M1391-I1408 HydrophobicContact CE-CD1 4.18Å; M1391-I1408 HydrophobicContact CE-CG1 3.74Å; M1391-I1408 HydrophobicContact CE-CG2 3.68Å; M1391-I1408 HydrophobicContact SD-CG2 4.43Å |
| 1392 | N | 58.6 | Low | 59.6 | Low | 82 Ų | 82 | 84.4 Ų | 84.4 | 44% | 0.439 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -64.1 | -39.2 | 175.5 | -69 | -3.9 | 0 | 0 | 0 | 111.4 | I1388 Y1389 L1394 H1395 N1396 | I1388-N1392 PolarHBondContact O-N 3.26Å; Y1389-N1392 PolarHBondContact O-N 2.94Å; N1392-L1394 VanDerWaalsContact C-N 3.31Å; N1392-L1394 PolarHBondContact O-N 3.19Å; N1392-H1395 WeakPolarHBondContact O-CB 3.47Å; N1392-H1395 PolarHBondContact O-N 3.35Å; N1392-N1396 PolarHBondContact O-N 3.45Å; N1392-N1396 PolarHBondContact O-OD1 3Å |
| 1393 | R | 53.7 | Low | 59.2 | Low | 127 Ų | 127 | 91.4 Ų | 91.4 | 48% | 0.479 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -66.3 | -30 | 175.5 | -160.2 | 173.7 | -170.8 | -157.7 | 2 | 113.1 | Y1389 M1391 Q1397 | Y1389-R1393 WeakPolarHBondContact O-CB 3.33Å; Y1389-R1393 PolarHBondContact O-N 3.41Å; M1391-R1393 VanDerWaalsContact C-N 3.33Å; M1391-R1393 PolarHBondContact O-N 3Å; R1393-Q1397 WeakPolarHBondContact O-CG 3.5Å |
| 1394 | L | 48.2 | Very low | 58.5 | Low | 96 Ų | 96 | 88.9 Ų | 88.9 | 50% | 0.503 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -71.7 | -41 | 171.1 | -77.5 | 166.6 | 0 | 0 | 0 | 112.3 | K1390 M1391 N1392 N1396 Q1397 T1398 | K1390-L1394 WeakPolarHBondContact O-CG 3.42Å; K1390-L1394 PolarHBondContact O-N 3.29Å; K1390-L1394 VanDerWaalsContact O-N 3.12Å; M1391-L1394 WeakPolarHBondContact O-CB 3.25Å; M1391-L1394 PolarHBondContact O-N 2.88Å; N1392-L1394 VanDerWaalsContact C-N 3.31Å; N1392-L1394 PolarHBondContact O-N 3.19Å; L1394-N1396 VanDerWaalsContact C-N 3.34Å; L1394-N1396 PolarHBondContact O-N 3.04Å; L1394-Q1397 PolarHBondContact O-N 3Å; L1394-Q1397 VanDerWaalsContact O-N 3.12Å; L1394-T1398 PolarHBondContact O-N 3.46Å; L1394-T1398 PolarHBondContact O-OG1 2.99Å |
| 1395 | H | 50.9 | Low | 57.4 | Low | 59 Ų | 59 | 90.4 Ų | 90.4 | 27% | 0.273 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -58.3 | -45.3 | 173.7 | 168.7 | -101.8 | 0 | 0 | 0 | 111.7 | M1391 N1392 Q1397 T1398 L1405 | M1391-H1395 PolarHBondContact O-N 2.99Å; N1392-H1395 WeakPolarHBondContact O-CB 3.47Å; N1392-H1395 PolarHBondContact O-N 3.35Å; H1395-Q1397 PolarHBondContact O-N 3.24Å; H1395-T1398 CarbonylContact O-C 3.54Å; H1395-T1398 PolarHBondContact O-N 3.34Å; H1395-L1405 HydrophobicContact CB-CD1 4.36Å; H1395-L1405 WeakPolarHBondContact CD2-CD1 3.26Å |
| 1396 | N | 48.5 | Very low | 56.6 | Low | 119 Ų | 119 | 92.1 Ų | 92.1 | 64% | 0.636 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -3.8 | 179.7 | -64.9 | 2.2 | 0 | 0 | 0 | 113.6 | N1392 L1394 | N1392-N1396 PolarHBondContact O-N 3.45Å; N1392-N1396 PolarHBondContact O-OD1 3Å; L1394-N1396 VanDerWaalsContact C-N 3.34Å; L1394-N1396 PolarHBondContact O-N 3.04Å |
| 1397 | Q | 49.3 | Very low | 56.6 | Low | 138 Ų | 138 | 93.3 Ų | 93.3 | 65% | 0.645 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.2 | -20.6 | 176.3 | -69.1 | -177.9 | -2.5 | 0 | 0 | 113.9 | R1393 L1394 H1395 | R1393-Q1397 WeakPolarHBondContact O-CG 3.5Å; L1394-Q1397 PolarHBondContact O-N 3Å; L1394-Q1397 VanDerWaalsContact O-N 3.12Å; H1395-Q1397 PolarHBondContact O-N 3.24Å |
| 1398 | T | 44.1 | Very low | 56.3 | Low | 81 Ų | 81 | 91 Ų | 91 | 50% | 0.497 | 47% | 0.469 | S | S | . | . | S | Bend | trans | -142 | 123.2 | 174.2 | 45.1 | 0 | 0 | 0 | 0 | 111.1 | L1394 H1395 L1400 | L1394-T1398 PolarHBondContact O-N 3.46Å; L1394-T1398 PolarHBondContact O-OG1 2.99Å; H1395-T1398 CarbonylContact O-C 3.54Å; H1395-T1398 PolarHBondContact O-N 3.34Å; T1398-L1400 PolarHBondContact O-N 3.24Å |
| 1399 | P | 46.5 | Very low | 56.3 | Low | 130 Ų | 130 | 93 Ų | 93 | 84% | 0.844 | 48% | 0.48 | S | S | * | . | trans | -70.3 | 93.7 | -179 | 28.8 | -34.4 | 0 | 0 | 0 | 110.5 | ||||
| 1400 | L | 50.6 | Low | 56.6 | Low | 62 Ų | 62 | 95.4 Ų | 95.4 | 33% | 0.325 | 49% | 0.492 | S | S | . | . | trans | -74.6 | 144.3 | 178.3 | -73 | 166 | 0 | 0 | 0 | 110.7 | T1398 V1404 I1408 | T1398-L1400 PolarHBondContact O-N 3.24Å; L1400-V1404 HydrophobicContact CB-CB 4.39Å; L1400-V1404 HydrophobicContact CB-CG1 4.48Å; L1400-V1404 HydrophobicContact CD1-CG1 4.37Å; L1400-V1404 HydrophobicContact CD2-CG1 4.41Å; L1400-I1408 HydrophobicContact CD1-CD1 4.16Å | ||
| 1401 | P | 64.5 | Low | 57 | Low | 87 Ų | 87 | 94 Ų | 94 | 57% | 0.565 | 49% | 0.49 | S | S | * | . | trans | -57 | 142.5 | 175.7 | -24.2 | 33.7 | 0 | 0 | 0 | 111.9 | K1403 V1404 L1405 | P1401-K1403 PolarHBondContact O-N 3.42Å; P1401-V1404 HydrophobicContact CB-CG2 4.42Å; P1401-V1404 HydrophobicContact CG-CG2 4.49Å; P1401-V1404 WeakPolarHBondContact O-CA 3.42Å; P1401-V1404 WeakPolarHBondContact O-CB 3.34Å; P1401-V1404 PolarHBondContact O-N 2.74Å; P1401-L1405 PolarHBondContact O-N 3.12Å | ||
| 1402 | I | 58.1 | Low | 57.7 | Low | 128 Ų | 128 | 92.2 Ų | 92.2 | 66% | 0.656 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -52.8 | -32.2 | -176.6 | -63.6 | 168.4 | 0 | 0 | 0 | 112.7 | V1404 L1405 N1406 | I1402-V1404 VanDerWaalsContact C-N 3.34Å; I1402-V1404 PolarHBondContact O-N 2.75Å; I1402-L1405 PolarHBondContact O-N 3.37Å; I1402-N1406 WeakPolarHBondContact O-CB 3.31Å; I1402-N1406 VanDerWaalsContact O-CG 3.3Å; I1402-N1406 PolarHBondContact O-N 2.97Å |
| 1403 | K | 61.1 | Low | 58.7 | Low | 178 Ų | 178 | 91.1 Ų | 91.1 | 77% | 0.774 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -61 | -38.3 | 173.1 | -70.6 | -174.7 | 176.2 | -178.9 | 0 | 113.2 | P1401 S1407 | P1401-K1403 PolarHBondContact O-N 3.42Å; K1403-S1407 PolarHBondContact O-N 3.44Å; K1403-S1407 PolarHBondContact O-OG 3.05Å |
| 1404 | V | 55.7 | Low | 59.7 | Low | 61 Ų | 61 | 89.2 Ų | 89.2 | 37% | 0.37 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -71.6 | -41.6 | 175.6 | -176 | 0 | 0 | 0 | 0 | 109.9 | L1400 P1401 I1402 N1406 S1407 I1408 | L1400-V1404 HydrophobicContact CB-CB 4.39Å; L1400-V1404 HydrophobicContact CB-CG1 4.48Å; L1400-V1404 HydrophobicContact CD1-CG1 4.37Å; L1400-V1404 HydrophobicContact CD2-CG1 4.41Å; P1401-V1404 HydrophobicContact CB-CG2 4.42Å; P1401-V1404 HydrophobicContact CG-CG2 4.49Å; P1401-V1404 WeakPolarHBondContact O-CA 3.42Å; P1401-V1404 WeakPolarHBondContact O-CB 3.34Å; P1401-V1404 PolarHBondContact O-N 2.74Å; I1402-V1404 VanDerWaalsContact C-N 3.34Å; I1402-V1404 PolarHBondContact O-N 2.75Å; V1404-N1406 PolarHBondContact O-N 2.9Å; V1404-S1407 CarbonylContact O-C 3.32Å; V1404-S1407 WeakPolarHBondContact O-CA 3.18Å; V1404-S1407 WeakPolarHBondContact O-CB 3.43Å; V1404-S1407 PolarHBondContact O-N 3.22Å; V1404-I1408 HydrophobicContact CG1-CD1 4Å; V1404-I1408 HydrophobicContact CG1-CG1 4.44Å; V1404-I1408 WeakPolarHBondContact O-CG1 3.22Å; V1404-I1408 PolarHBondContact O-N 3.5Å |
| 1405 | L | 51.8 | Low | 60.9 | Low | 57 Ų | 57 | 86.7 Ų | 86.7 | 30% | 0.298 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -62.4 | -45.1 | 178.5 | -158.8 | 65.9 | 0 | 0 | 0 | 112.2 | H1395 P1401 I1402 S1407 I1408 D1409 | H1395-L1405 HydrophobicContact CB-CD1 4.36Å; H1395-L1405 WeakPolarHBondContact CD2-CD1 3.26Å; P1401-L1405 PolarHBondContact O-N 3.12Å; I1402-L1405 PolarHBondContact O-N 3.37Å; L1405-S1407 PolarHBondContact O-N 3.07Å; L1405-I1408 WeakPolarHBondContact O-CB 3.41Å; L1405-I1408 PolarHBondContact O-N 2.77Å; L1405-I1408 VanDerWaalsContact O-N 3.08Å; L1405-D1409 PolarHBondContact O-N 2.9Å |
| 1406 | N | 65.7 | Low | 62.5 | Low | 108 Ų | 108 | 83.9 Ų | 83.9 | 58% | 0.578 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -63.4 | -27.7 | 173.3 | -69.5 | -6 | 0 | 0 | 0 | 112.7 | I1402 V1404 K1410 | I1402-N1406 WeakPolarHBondContact O-CB 3.31Å; I1402-N1406 VanDerWaalsContact O-CG 3.3Å; I1402-N1406 PolarHBondContact O-N 2.97Å; V1404-N1406 PolarHBondContact O-N 2.9Å; N1406-K1410 WeakPolarHBondContact O-CB 3.27Å; N1406-K1410 PolarHBondContact O-N 3.5Å |
| 1407 | S | 64.9 | Low | 64.2 | Low | 75 Ų | 75 | 79.8 Ų | 79.8 | 52% | 0.524 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -74.9 | -35.4 | 173.4 | -57 | 0 | 0 | 0 | 0 | 111.6 | K1403 V1404 L1405 L1411 | K1403-S1407 PolarHBondContact O-N 3.44Å; K1403-S1407 PolarHBondContact O-OG 3.05Å; V1404-S1407 CarbonylContact O-C 3.32Å; V1404-S1407 WeakPolarHBondContact O-CA 3.18Å; V1404-S1407 WeakPolarHBondContact O-CB 3.43Å; V1404-S1407 PolarHBondContact O-N 3.22Å; L1405-S1407 PolarHBondContact O-N 3.07Å; S1407-L1411 WeakPolarHBondContact O-CB 3.38Å; S1407-L1411 PolarHBondContact O-N 3.45Å |
| 1408 | I | 59.4 | Low | 65.5 | Low | 30 Ų | 30 | 79.5 Ų | 79.5 | 15% | 0.154 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -68.9 | -50.1 | 177.4 | -72.1 | 171.6 | 0 | 0 | 0 | 111.6 | M1391 L1400 V1404 L1405 K1410 L1411 A1412 | M1391-I1408 HydrophobicContact CB-CG2 4.41Å; M1391-I1408 HydrophobicContact CE-CB 4.21Å; M1391-I1408 HydrophobicContact CE-CD1 4.18Å; M1391-I1408 HydrophobicContact CE-CG1 3.74Å; M1391-I1408 HydrophobicContact CE-CG2 3.68Å; M1391-I1408 HydrophobicContact SD-CG2 4.43Å; L1400-I1408 HydrophobicContact CD1-CD1 4.16Å; V1404-I1408 HydrophobicContact CG1-CD1 4Å; V1404-I1408 HydrophobicContact CG1-CG1 4.44Å; V1404-I1408 WeakPolarHBondContact O-CG1 3.22Å; V1404-I1408 PolarHBondContact O-N 3.5Å; L1405-I1408 WeakPolarHBondContact O-CB 3.41Å; L1405-I1408 PolarHBondContact O-N 2.77Å; L1405-I1408 VanDerWaalsContact O-N 3.08Å; I1408-K1410 VanDerWaalsContact C-N 3.3Å; I1408-K1410 PolarHBondContact O-N 2.95Å; I1408-L1411 WeakPolarHBondContact O-CB 3.49Å; I1408-L1411 PolarHBondContact O-N 2.85Å; I1408-L1411 VanDerWaalsContact O-N 3.14Å; I1408-A1412 PolarHBondContact O-N 3.1Å |
| 1409 | D | 66.8 | Low | 67.2 | Low | 69 Ų | 69 | 76.4 Ų | 76.4 | 37% | 0.369 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -62.4 | -39.6 | 176.6 | -176.8 | 66.5 | 0 | 0 | 0 | 111 | L1405 L1411 A1412 R1413 W1440 | L1405-D1409 PolarHBondContact O-N 2.9Å; D1409-L1411 VanDerWaalsContact C-N 3.34Å; D1409-L1411 PolarHBondContact O-N 3.26Å; D1409-A1412 PolarHBondContact O-N 3.38Å; D1409-R1413 WeakPolarHBondContact O-CB 3.31Å; D1409-R1413 VanDerWaalsContact O-CG 3.25Å; D1409-R1413 WeakPolarHBondContact O-CG 3.47Å; D1409-R1413 PolarHBondContact O-N 3Å; D1409-R1413 WeakPolarHBondContact OD2-CD 3.33Å; D1409-R1413 IonicContact OD2-NE 2.72Å; D1409-R1413 PolarHBondContact OD2-NE 3.22Å; D1409-W1440 PolarHBondContact OD1-NE1 3.47Å |
| 1410 | K | 73.1 | Confident | 68.8 | Low | 141 Ų | 141 | 70.3 Ų | 70.3 | 61% | 0.613 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -62.9 | -37.7 | 174.4 | -169.9 | 174.2 | -177.3 | -179.8 | 0 | 112.4 | N1406 I1408 N1414 | N1406-K1410 WeakPolarHBondContact O-CB 3.27Å; N1406-K1410 PolarHBondContact O-N 3.5Å; I1408-K1410 VanDerWaalsContact C-N 3.3Å; I1408-K1410 PolarHBondContact O-N 2.95Å; K1410-N1414 WeakPolarHBondContact O-CB 3.46Å; K1410-N1414 PolarHBondContact O-N 3.31Å; K1410-N1414 VanDerWaalsContact O-N 3.08Å; K1410-N1414 PolarHBondContact O-ND2 3.26Å; K1410-N1414 PolarHBondContact O-OD1 3.28Å |
| 1411 | L | 68.9 | Low | 70.1 | Confident | 99 Ų | 99 | 68.8 Ų | 68.8 | 52% | 0.518 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -66.9 | -48.1 | 173.9 | -163.2 | 88 | 0 | 0 | 0 | 111.1 | S1407 I1408 D1409 R1413 N1414 S1415 | S1407-L1411 WeakPolarHBondContact O-CB 3.38Å; S1407-L1411 PolarHBondContact O-N 3.45Å; I1408-L1411 WeakPolarHBondContact O-CB 3.49Å; I1408-L1411 PolarHBondContact O-N 2.85Å; I1408-L1411 VanDerWaalsContact O-N 3.14Å; D1409-L1411 VanDerWaalsContact C-N 3.34Å; D1409-L1411 PolarHBondContact O-N 3.26Å; L1411-R1413 PolarHBondContact O-N 3.02Å; L1411-N1414 PolarHBondContact O-N 3.37Å; L1411-S1415 PolarHBondContact O-N 3.24Å; L1411-S1415 PolarHBondContact O-OG 3.12Å |
| 1412 | A | 71.5 | Confident | 70.6 | Confident | 9 Ų | 9 | 67.9 Ų | 67.9 | 7% | 0.074 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -59.3 | -46.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | I1388 I1408 D1409 N1414 S1415 F1416 W1440 | I1388-A1412 HydrophobicContact CD1-CB 4.11Å; I1388-A1412 HydrophobicContact CG1-CB 4.04Å; I1408-A1412 PolarHBondContact O-N 3.1Å; D1409-A1412 PolarHBondContact O-N 3.38Å; A1412-N1414 PolarHBondContact O-N 3.25Å; A1412-S1415 PolarHBondContact O-N 2.98Å; A1412-F1416 WeakPolarHBondContact O-CB 3.37Å; A1412-F1416 PolarHBondContact O-N 2.95Å; A1412-W1440 HydrophobicContact CB-CH2 3.99Å; A1412-W1440 HydrophobicContact CB-CZ2 4.18Å |
| 1413 | R | 80 | Confident | 71.3 | Confident | 60 Ų | 60 | 61.8 Ų | 61.8 | 23% | 0.226 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -55.3 | -50.1 | 172.2 | -75 | 175 | 167.1 | -104.7 | 3.3 | 111.4 | D1409 L1411 S1415 F1416 I1417 W1440 V1444 E1447 | D1409-R1413 WeakPolarHBondContact O-CB 3.31Å; D1409-R1413 VanDerWaalsContact O-CG 3.25Å; D1409-R1413 WeakPolarHBondContact O-CG 3.47Å; D1409-R1413 PolarHBondContact O-N 3Å; D1409-R1413 WeakPolarHBondContact OD2-CD 3.33Å; D1409-R1413 IonicContact OD2-NE 2.72Å; D1409-R1413 PolarHBondContact OD2-NE 3.22Å; L1411-R1413 PolarHBondContact O-N 3.02Å; R1413-S1415 PolarHBondContact O-N 3.35Å; R1413-F1416 PolarHBondContact O-N 3.32Å; R1413-I1417 WeakPolarHBondContact O-CB 3.44Å; R1413-I1417 WeakPolarHBondContact O-CD1 3.31Å; R1413-I1417 VanDerWaalsContact O-CG1 3.25Å; R1413-I1417 WeakPolarHBondContact O-CG1 3.45Å; R1413-I1417 PolarHBondContact O-N 3.28Å; R1413-W1440 HydrophobicContact CG-CH2 4.2Å; R1413-W1440 HydrophobicContact CG-CZ2 3.66Å; R1413-V1444 HydrophobicContact CB-CG1 4.23Å; R1413-V1444 HydrophobicContact CG-CG1 4.18Å; R1413-V1444 HydrophobicContact CG-CG2 3.82Å; R1413-E1447 IonicContact CZ-OE1 3.91Å; R1413-E1447 IonicContact CZ-OE2 3.05Å; R1413-E1447 IonicContact NH1-OE1 2.6Å; R1413-E1447 PolarHBondContact NH1-OE1 2.85Å; R1413-E1447 IonicContact NH1-OE2 2.62Å; R1413-E1447 PolarHBondContact NH1-OE2 3.25Å; R1413-E1447 IonicContact NH2-OE1 3.69Å; R1413-E1447 PolarHBondContact NH2-OE1 2.85Å; R1413-E1447 IonicContact NH2-OE2 3Å |
| 1414 | N | 74.1 | Confident | 72 | Confident | 87 Ų | 87 | 57.9 Ų | 57.9 | 47% | 0.465 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.3 | -40 | -179.8 | -73.9 | -8.4 | 0 | 0 | 0 | 112.8 | K1410 L1411 A1412 I1417 Q1418 | K1410-N1414 WeakPolarHBondContact O-CB 3.46Å; K1410-N1414 PolarHBondContact O-N 3.31Å; K1410-N1414 VanDerWaalsContact O-N 3.08Å; K1410-N1414 PolarHBondContact O-ND2 3.26Å; K1410-N1414 PolarHBondContact O-OD1 3.28Å; L1411-N1414 PolarHBondContact O-N 3.37Å; A1412-N1414 PolarHBondContact O-N 3.25Å; N1414-I1417 PolarHBondContact O-N 3.36Å; N1414-Q1418 PolarHBondContact O-N 2.94Å |
| 1415 | S | 74.3 | Confident | 72.9 | Confident | 43 Ų | 43 | 61.3 Ų | 61.3 | 30% | 0.301 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -69.7 | -36.7 | 176.9 | -64.5 | 0 | 0 | 0 | 0 | 112.7 | L1411 A1412 R1413 Q1418 L1419 | L1411-S1415 PolarHBondContact O-N 3.24Å; L1411-S1415 PolarHBondContact O-OG 3.12Å; A1412-S1415 PolarHBondContact O-N 2.98Å; R1413-S1415 PolarHBondContact O-N 3.35Å; S1415-Q1418 PolarHBondContact O-N 2.81Å; S1415-L1419 PolarHBondContact O-N 3.38Å |
| 1416 | F | 84.1 | Confident | 73.8 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -65.6 | -41.5 | 172.2 | -178.7 | -107.6 | 0 | 0 | 0 | 112 | L1381 L1384 A1412 R1413 L1419 T1420 L1437 W1440 E1441 V1444 L1445 | L1381-F1416 HydrophobicContact CD1-CD2 4.32Å; L1381-F1416 HydrophobicContact CD1-CE2 3.86Å; L1384-F1416 HydrophobicContact CD2-CB 3.83Å; L1384-F1416 HydrophobicContact CD2-CD2 3.72Å; L1384-F1416 HydrophobicContact CD2-CG 4.28Å; A1412-F1416 WeakPolarHBondContact O-CB 3.37Å; A1412-F1416 PolarHBondContact O-N 2.95Å; R1413-F1416 PolarHBondContact O-N 3.32Å; F1416-L1419 PolarHBondContact O-N 3.1Å; F1416-T1420 WeakPolarHBondContact O-CB 3.44Å; F1416-T1420 PolarHBondContact O-N 3.45Å; F1416-T1420 PolarHBondContact O-OG1 3Å; F1416-L1437 HydrophobicContact CE2-CD2 4.21Å; F1416-L1437 HydrophobicContact CZ-CD2 4.02Å; F1416-W1440 HydrophobicContact CB-CZ3 4.38Å; F1416-W1440 HydrophobicContact CG-CZ3 4.49Å; F1416-E1441 HydrophobicContact CD2-CG 4.22Å; F1416-E1441 HydrophobicContact CE1-CB 4.08Å; F1416-E1441 VanDerWaalsContact CE1-O 3.25Å; F1416-E1441 WeakPolarHBondContact CE1-O 3.46Å; F1416-E1441 HydrophobicContact CE2-CB 4.01Å; F1416-E1441 HydrophobicContact CE2-CG 3.78Å; F1416-E1441 HydrophobicContact CZ-CB 3.63Å; F1416-E1441 HydrophobicContact CZ-CG 3.94Å; F1416-V1444 HydrophobicContact CD1-CB 4.16Å; F1416-V1444 HydrophobicContact CD1-CG1 3.85Å; F1416-V1444 HydrophobicContact CE1-CB 4.5Å; F1416-L1445 HydrophobicContact CE1-CB 4.12Å; F1416-L1445 HydrophobicContact CE1-CD1 3.97Å; F1416-L1445 HydrophobicContact CE1-CG 3.95Å; F1416-L1445 HydrophobicContact CZ-CD1 3.9Å; F1416-L1445 HydrophobicContact CZ-CG 4.39Å |
| 1417 | I | 82.9 | Confident | 74.2 | Confident | 33 Ų | 33 | 59 Ų | 59 | 17% | 0.169 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60 | -45.9 | 173 | -73.9 | 164.6 | 0 | 0 | 0 | 110.8 | R1413 N1414 T1420 E1421 V1444 Y1448 | R1413-I1417 WeakPolarHBondContact O-CB 3.44Å; R1413-I1417 WeakPolarHBondContact O-CD1 3.31Å; R1413-I1417 VanDerWaalsContact O-CG1 3.25Å; R1413-I1417 WeakPolarHBondContact O-CG1 3.45Å; R1413-I1417 PolarHBondContact O-N 3.28Å; N1414-I1417 PolarHBondContact O-N 3.36Å; I1417-T1420 WeakPolarHBondContact O-CB 3.44Å; I1417-T1420 PolarHBondContact O-N 2.82Å; I1417-E1421 VanDerWaalsContact O-CB 3.31Å; I1417-E1421 WeakPolarHBondContact O-CB 3.38Å; I1417-E1421 PolarHBondContact O-N 3.12Å; I1417-V1444 HydrophobicContact CD1-CG1 4.15Å; I1417-V1444 HydrophobicContact CG1-CG1 4.06Å; I1417-Y1448 HydrophobicContact CB-CD2 4.45Å; I1417-Y1448 HydrophobicContact CD1-CD2 3.7Å; I1417-Y1448 HydrophobicContact CD1-CE2 4.41Å; I1417-Y1448 HydrophobicContact CD1-CG 4.03Å; I1417-Y1448 HydrophobicContact CG1-CD1 4.36Å; I1417-Y1448 HydrophobicContact CG1-CD2 3.9Å; I1417-Y1448 HydrophobicContact CG1-CE2 4.47Å; I1417-Y1448 HydrophobicContact CG1-CG 3.84Å; I1417-Y1448 HydrophobicContact CG2-CD1 4.18Å; I1417-Y1448 HydrophobicContact CG2-CD2 3.7Å; I1417-Y1448 HydrophobicContact CG2-CE1 3.89Å; I1417-Y1448 HydrophobicContact CG2-CE2 3.38Å; I1417-Y1448 HydrophobicContact CG2-CG 4.09Å; I1417-Y1448 VanDerWaalsContact CG2-CZ 3.49Å |
| 1418 | Q | 77.1 | Confident | 74.4 | Confident | 132 Ų | 132 | 57.9 Ų | 57.9 | 62% | 0.617 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -61.3 | -43.9 | 175.1 | -90 | -172.5 | -19 | 0 | 0 | 112.9 | N1414 S1415 T1420 E1421 I1422 | N1414-Q1418 PolarHBondContact O-N 2.94Å; S1415-Q1418 PolarHBondContact O-N 2.81Å; Q1418-T1420 VanDerWaalsContact C-N 3.34Å; Q1418-T1420 PolarHBondContact O-N 3.24Å; Q1418-E1421 PolarHBondContact O-N 3.47Å; Q1418-I1422 WeakPolarHBondContact O-CB 3.42Å; Q1418-I1422 WeakPolarHBondContact O-CD1 3.48Å; Q1418-I1422 VanDerWaalsContact O-CG1 3.23Å; Q1418-I1422 WeakPolarHBondContact O-CG1 3.44Å; Q1418-I1422 PolarHBondContact O-N 3.04Å |
| 1419 | L | 79.8 | Confident | 75.1 | Confident | 16 Ų | 16 | 57.3 Ų | 57.3 | 8% | 0.084 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59.2 | -46.8 | 175.9 | 173.1 | 61.2 | 0 | 0 | 0 | 111.3 | M1371 A1380 L1381 L1384 S1415 F1416 E1421 I1422 C1423 | M1371-L1419 HydrophobicContact CE-CD1 3.99Å; A1380-L1419 HydrophobicContact CB-CD1 3.53Å; L1381-L1419 HydrophobicContact CB-CD2 4.16Å; L1381-L1419 HydrophobicContact CD1-CD2 4.03Å; L1384-L1419 HydrophobicContact CB-CD2 4.31Å; L1384-L1419 HydrophobicContact CD2-CD2 3.96Å; S1415-L1419 PolarHBondContact O-N 3.38Å; F1416-L1419 PolarHBondContact O-N 3.1Å; L1419-E1421 VanDerWaalsContact C-N 3.34Å; L1419-E1421 PolarHBondContact O-N 3.01Å; L1419-I1422 PolarHBondContact O-N 3.19Å; L1419-C1423 PolarHBondContact O-N 3.04Å; L1419-C1423 PolarHBondContact O-SG 3.19Å |
| 1420 | T | 80.6 | Confident | 75 | Confident | 1 Ų | 1 | 57.4 Ų | 57.4 | 1% | 0.006 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -58.4 | -46.6 | 177.7 | -59.2 | 0 | 0 | 0 | 0 | 111 | F1416 I1417 Q1418 C1423 R1424 L1429 L1432 L1445 Y1449 | F1416-T1420 WeakPolarHBondContact O-CB 3.44Å; F1416-T1420 PolarHBondContact O-N 3.45Å; F1416-T1420 PolarHBondContact O-OG1 3Å; I1417-T1420 WeakPolarHBondContact O-CB 3.44Å; I1417-T1420 PolarHBondContact O-N 2.82Å; Q1418-T1420 VanDerWaalsContact C-N 3.34Å; Q1418-T1420 PolarHBondContact O-N 3.24Å; T1420-C1423 PolarHBondContact O-N 3.38Å; T1420-R1424 PolarHBondContact O-N 3.04Å; T1420-L1429 HydrophobicContact CG2-CD1 3.68Å; T1420-L1432 HydrophobicContact CG2-CD2 4.36Å; T1420-L1445 HydrophobicContact CG2-CD1 4.05Å; T1420-L1445 HydrophobicContact CG2-CD2 3.73Å; T1420-L1445 HydrophobicContact CG2-CG 3.91Å; T1420-Y1449 WeakPolarHBondContact CG2-OH 3.38Å |
| 1421 | E | 78.6 | Confident | 74.8 | Confident | 31 Ų | 31 | 53.5 Ų | 53.5 | 15% | 0.145 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -69.6 | -35.1 | -179.6 | -177.5 | 53.8 | -155.1 | 0 | 0 | 112.6 | I1417 Q1418 L1419 R1424 Q1425 | I1417-E1421 VanDerWaalsContact O-CB 3.31Å; I1417-E1421 WeakPolarHBondContact O-CB 3.38Å; I1417-E1421 PolarHBondContact O-N 3.12Å; Q1418-E1421 PolarHBondContact O-N 3.47Å; L1419-E1421 VanDerWaalsContact C-N 3.34Å; L1419-E1421 PolarHBondContact O-N 3.01Å; E1421-R1424 VanDerWaalsContact CD-NE 3.33Å; E1421-R1424 WeakPolarHBondContact O-CB 3.15Å; E1421-R1424 PolarHBondContact O-N 2.97Å; E1421-R1424 IonicContact OE1-CZ 3.05Å; E1421-R1424 IonicContact OE1-NE 3.75Å; E1421-R1424 PolarHBondContact OE1-NE 3.09Å; E1421-R1424 IonicContact OE1-NH2 3.3Å; E1421-R1424 PolarHBondContact OE1-NH2 3.47Å; E1421-R1424 WeakPolarHBondContact OE2-CD 3.28Å; E1421-R1424 IonicContact OE2-CZ 3.3Å; E1421-R1424 IonicContact OE2-NE 3.22Å; E1421-R1424 PolarHBondContact OE2-NE 3.38Å; E1421-R1424 IonicContact OE2-NH2 3.66Å; E1421-Q1425 WeakPolarHBondContact O-CB 3.35Å; E1421-Q1425 VanDerWaalsContact O-CG 3.3Å; E1421-Q1425 WeakPolarHBondContact O-CG 3.48Å; E1421-Q1425 PolarHBondContact O-N 3.09Å; E1421-Q1425 PolarHBondContact OE1-NE2 3.08Å |
| 1422 | I | 74.4 | Confident | 75 | Confident | 67 Ų | 67 | 48.8 Ų | 48.8 | 34% | 0.344 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -64.9 | -41.5 | 170.5 | -69.9 | 163.9 | 0 | 0 | 0 | 110.7 | M1371 Q1418 L1419 R1424 Q1425 A1426 | M1371-I1422 HydrophobicContact CE-CG2 3.93Å; M1371-I1422 HydrophobicContact CG-CG2 3.81Å; Q1418-I1422 WeakPolarHBondContact O-CB 3.42Å; Q1418-I1422 WeakPolarHBondContact O-CD1 3.48Å; Q1418-I1422 VanDerWaalsContact O-CG1 3.23Å; Q1418-I1422 WeakPolarHBondContact O-CG1 3.44Å; Q1418-I1422 PolarHBondContact O-N 3.04Å; L1419-I1422 PolarHBondContact O-N 3.19Å; I1422-R1424 VanDerWaalsContact C-N 3.33Å; I1422-Q1425 PolarHBondContact O-N 2.95Å; I1422-A1426 VanDerWaalsContact O-CB 3.31Å; I1422-A1426 WeakPolarHBondContact O-CB 3.31Å; I1422-A1426 PolarHBondContact O-N 3.26Å |
| 1423 | C | 72.4 | Confident | 74.9 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -66.2 | -35.5 | 175 | -66.1 | 0 | 0 | 0 | 0 | 112 | L1419 T1420 A1426 G1427 R1428 L1429 L1432 | L1419-C1423 PolarHBondContact O-N 3.04Å; L1419-C1423 PolarHBondContact O-SG 3.19Å; T1420-C1423 PolarHBondContact O-N 3.38Å; C1423-A1426 PolarHBondContact O-N 2.96Å; C1423-G1427 PolarHBondContact O-N 2.93Å; C1423-R1428 CarbonylContact O-C 3.15Å; C1423-R1428 PolarHBondContact O-N 3.5Å; C1423-L1429 PolarHBondContact O-N 3.44Å; C1423-L1432 HydrophobicContact CB-CB 4.32Å; C1423-L1432 HydrophobicContact CB-CD2 4.07Å |
| 1424 | R | 77 | Confident | 74.4 | Confident | 96 Ų | 96 | 50.3 Ų | 50.3 | 36% | 0.362 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.4 | -50.3 | 171.3 | -166.8 | -172.1 | 74.4 | 89.1 | 0.9 | 111.8 | T1420 E1421 I1422 A1426 G1427 L1429 L1457 | T1420-R1424 PolarHBondContact O-N 3.04Å; E1421-R1424 VanDerWaalsContact CD-NE 3.33Å; E1421-R1424 WeakPolarHBondContact O-CB 3.15Å; E1421-R1424 PolarHBondContact O-N 2.97Å; E1421-R1424 IonicContact OE1-CZ 3.05Å; E1421-R1424 IonicContact OE1-NE 3.75Å; E1421-R1424 PolarHBondContact OE1-NE 3.09Å; E1421-R1424 IonicContact OE1-NH2 3.3Å; E1421-R1424 PolarHBondContact OE1-NH2 3.47Å; E1421-R1424 WeakPolarHBondContact OE2-CD 3.28Å; E1421-R1424 IonicContact OE2-CZ 3.3Å; E1421-R1424 IonicContact OE2-NE 3.22Å; E1421-R1424 PolarHBondContact OE2-NE 3.38Å; E1421-R1424 IonicContact OE2-NH2 3.66Å; I1422-R1424 VanDerWaalsContact C-N 3.33Å; R1424-A1426 PolarHBondContact O-N 3Å; R1424-G1427 PolarHBondContact O-N 3.34Å; R1424-L1429 HydrophobicContact CB-CB 4.44Å; R1424-L1429 HydrophobicContact CB-CD2 4.37Å; R1424-L1429 HydrophobicContact CG-CD2 4.21Å; R1424-L1457 HydrophobicContact CG-CD2 3.84Å |
| 1425 | Q | 73.5 | Confident | 74.1 | Confident | 133 Ų | 133 | 49.1 Ų | 49.1 | 62% | 0.621 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -64 | -27.4 | 177.2 | -70.2 | 175.1 | 24.4 | 0 | 0 | 113 | E1421 I1422 G1427 | E1421-Q1425 WeakPolarHBondContact O-CB 3.35Å; E1421-Q1425 VanDerWaalsContact O-CG 3.3Å; E1421-Q1425 WeakPolarHBondContact O-CG 3.48Å; E1421-Q1425 PolarHBondContact O-N 3.09Å; E1421-Q1425 PolarHBondContact OE1-NE2 3.08Å; I1422-Q1425 PolarHBondContact O-N 2.95Å; Q1425-G1427 VanDerWaalsContact C-N 3.34Å |
| 1426 | A | 70.2 | Confident | 73.6 | Confident | 48 Ų | 48 | 49.1 Ų | 49.1 | 40% | 0.397 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -4.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | M1371 I1422 C1423 R1424 R1428 | M1371-A1426 HydrophobicContact CB-CB 3.75Å; I1422-A1426 VanDerWaalsContact O-CB 3.31Å; I1422-A1426 WeakPolarHBondContact O-CB 3.31Å; I1422-A1426 PolarHBondContact O-N 3.26Å; C1423-A1426 PolarHBondContact O-N 2.96Å; R1424-A1426 PolarHBondContact O-N 3Å; A1426-R1428 VanDerWaalsContact C-N 3.26Å; A1426-R1428 PolarHBondContact O-N 2.93Å |
| 1427 | G | 74 | Confident | 73 | Confident | 69 Ų | 69 | 49.6 Ų | 49.6 | 71% | 0.711 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.8 | 11.8 | -176 | 0 | 0 | 0 | 0 | 0 | 114.9 | C1423 R1424 Q1425 | C1423-G1427 PolarHBondContact O-N 2.93Å; R1424-G1427 PolarHBondContact O-N 3.34Å; Q1425-G1427 VanDerWaalsContact C-N 3.34Å |
| 1428 | R | 70.3 | Confident | 72.6 | Confident | 52 Ų | 52 | 51.4 Ų | 51.4 | 20% | 0.196 | 30% | 0.299 | C | S | . | . | trans | -110.6 | 26.2 | -178.3 | -70.8 | -166.8 | 179.4 | -80.1 | 1.3 | 113.4 | M1371 K1372 P1373 P1377 C1423 A1426 S1430 D1431 L1432 | M1371-R1428 WeakPolarHBondContact O-CD 3.25Å; M1371-R1428 PolarHBondContact O-NE 3.1Å; K1372-R1428 PolarHBondContact O-NE 3.13Å; K1372-R1428 PolarHBondContact O-NH2 3.22Å; P1373-R1428 PolarHBondContact O-NE 3.36Å; P1377-R1428 HydrophobicContact CG-CB 3.93Å; C1423-R1428 CarbonylContact O-C 3.15Å; C1423-R1428 PolarHBondContact O-N 3.5Å; A1426-R1428 VanDerWaalsContact C-N 3.26Å; A1426-R1428 PolarHBondContact O-N 2.93Å; R1428-S1430 VanDerWaalsContact C-N 3.3Å; R1428-S1430 PolarHBondContact O-N 3.19Å; R1428-D1431 HydrophobicContact CB-CB 4.24Å; R1428-D1431 WeakPolarHBondContact CD-OD2 3.29Å; R1428-D1431 VanDerWaalsContact CG-OD2 3.31Å; R1428-D1431 WeakPolarHBondContact CG-OD2 3.45Å; R1428-D1431 IonicContact CZ-OD2 3.52Å; R1428-D1431 IonicContact NE-OD2 3Å; R1428-D1431 IonicContact NH1-OD2 3.49Å; R1428-D1431 PolarHBondContact NH1-OD2 3.41Å; R1428-D1431 WeakPolarHBondContact O-CB 3.39Å; R1428-D1431 PolarHBondContact O-N 3.14Å; R1428-L1432 PolarHBondContact O-N 3.41Å | ||
| 1429 | L | 73.9 | Confident | 72.1 | Confident | 17 Ų | 17 | 50.3 Ų | 50.3 | 9% | 0.089 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.6 | -37 | 176.4 | -176.4 | 65.2 | 0 | 0 | 0 | 111.8 | T1420 C1423 R1424 D1431 L1432 I1433 Y1449 L1457 | T1420-L1429 HydrophobicContact CG2-CD1 3.68Å; C1423-L1429 PolarHBondContact O-N 3.44Å; R1424-L1429 HydrophobicContact CB-CB 4.44Å; R1424-L1429 HydrophobicContact CB-CD2 4.37Å; R1424-L1429 HydrophobicContact CG-CD2 4.21Å; L1429-D1431 VanDerWaalsContact C-N 3.34Å; L1429-D1431 PolarHBondContact O-N 2.83Å; L1429-L1432 HydrophobicContact CD1-CD2 4.27Å; L1429-L1432 WeakPolarHBondContact O-CB 3.41Å; L1429-L1432 PolarHBondContact O-N 2.96Å; L1429-I1433 HydrophobicContact CD1-CD1 4.45Å; L1429-I1433 HydrophobicContact CG-CD1 3.89Å; L1429-I1433 WeakPolarHBondContact O-CD1 3.47Å; L1429-I1433 WeakPolarHBondContact O-CG1 3.24Å; L1429-I1433 PolarHBondContact O-N 2.93Å; L1429-I1433 VanDerWaalsContact O-N 3.09Å; L1429-Y1449 HydrophobicContact CD2-CE2 4.11Å; L1429-Y1449 WeakPolarHBondContact CD2-OH 3.39Å; L1429-L1457 HydrophobicContact CD2-CD2 3.42Å; L1429-L1457 VanDerWaalsContact CD2-CD2 3.42Å; L1429-L1457 HydrophobicContact CD2-CG 4.03Å |
| 1430 | S | 65.3 | Low | 72.2 | Confident | 71 Ų | 71 | 52.9 Ų | 52.9 | 50% | 0.497 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -59.7 | -45.3 | 174.7 | -163 | 0 | 0 | 0 | 0 | 111.3 | R1428 L1432 I1433 S1434 | R1428-S1430 VanDerWaalsContact C-N 3.3Å; R1428-S1430 PolarHBondContact O-N 3.19Å; S1430-L1432 VanDerWaalsContact C-N 3.27Å; S1430-L1432 PolarHBondContact O-N 2.83Å; S1430-I1433 PolarHBondContact O-N 2.76Å; S1430-I1433 VanDerWaalsContact O-N 3.13Å; S1430-S1434 PolarHBondContact O-N 3.49Å; S1430-S1434 PolarHBondContact O-OG 2.72Å; S1430-S1434 VanDerWaalsContact O-OG 3.14Å |
| 1431 | D | 67.5 | Low | 72.2 | Confident | 59 Ų | 59 | 53 Ų | 53 | 32% | 0.316 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -56.4 | -42.3 | 175.6 | -53.7 | 5.1 | 0 | 0 | 0 | 111.3 | P1377 R1428 L1429 I1433 S1434 L1435 | P1377-D1431 HydrophobicContact CG-CB 4.2Å; R1428-D1431 HydrophobicContact CB-CB 4.24Å; R1428-D1431 WeakPolarHBondContact CD-OD2 3.29Å; R1428-D1431 VanDerWaalsContact CG-OD2 3.31Å; R1428-D1431 WeakPolarHBondContact CG-OD2 3.45Å; R1428-D1431 IonicContact CZ-OD2 3.52Å; R1428-D1431 IonicContact NE-OD2 3Å; R1428-D1431 IonicContact NH1-OD2 3.49Å; R1428-D1431 PolarHBondContact NH1-OD2 3.41Å; R1428-D1431 WeakPolarHBondContact O-CB 3.39Å; R1428-D1431 PolarHBondContact O-N 3.14Å; L1429-D1431 VanDerWaalsContact C-N 3.34Å; L1429-D1431 PolarHBondContact O-N 2.83Å; D1431-I1433 VanDerWaalsContact C-N 3.35Å; D1431-I1433 PolarHBondContact O-N 3.46Å; D1431-S1434 PolarHBondContact O-N 2.86Å; D1431-L1435 VanDerWaalsContact O-CG 3.28Å; D1431-L1435 WeakPolarHBondContact O-CG 3.38Å; D1431-L1435 PolarHBondContact O-N 3.2Å |
| 1432 | L | 74.7 | Confident | 71.9 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.6 | -38.7 | 178 | -171.5 | 72.6 | 0 | 0 | 0 | 112.4 | P1377 L1381 T1420 C1423 R1428 L1429 S1430 | P1377-L1432 HydrophobicContact CB-CB 4.48Å; P1377-L1432 HydrophobicContact CB-CD1 4.19Å; L1381-L1432 HydrophobicContact CB-CD1 4.12Å; L1381-L1432 HydrophobicContact CD1-CD1 4.46Å; L1381-L1432 HydrophobicContact CD2-CD1 4.13Å; L1381-L1432 HydrophobicContact CG-CD1 4.48Å; T1420-L1432 HydrophobicContact CG2-CD2 4.36Å; C1423-L1432 HydrophobicContact CB-CB 4.32Å; C1423-L1432 HydrophobicContact CB-CD2 4.07Å; R1428-L1432 PolarHBondContact O-N 3.41Å; L1429-L1432 HydrophobicContact CD1-CD2 4.27Å; L1429-L1432 WeakPolarHBondContact O-CB 3.41Å; L1429-L1432 PolarHBondContact O-N 2.96Å; S1430-L1432 VanDerWaalsContact C-N 3.27Å; S1430-L1432 PolarHBondContact O-N 2.83Å |
| 1433 | I | 69.4 | Low | 71.8 | Confident | 11 Ų | 11 | 56.3 Ų | 56.3 | 6% | 0.056 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -72.4 | -39 | 179.7 | -63.3 | 154.2 | 0 | 0 | 0 | 111 | L1429 S1430 D1431 L1435 L1437 C1461 A1464 R1465 | L1429-I1433 HydrophobicContact CD1-CD1 4.45Å; L1429-I1433 HydrophobicContact CG-CD1 3.89Å; L1429-I1433 WeakPolarHBondContact O-CD1 3.47Å; L1429-I1433 WeakPolarHBondContact O-CG1 3.24Å; L1429-I1433 PolarHBondContact O-N 2.93Å; L1429-I1433 VanDerWaalsContact O-N 3.09Å; S1430-I1433 PolarHBondContact O-N 2.76Å; S1430-I1433 VanDerWaalsContact O-N 3.13Å; D1431-I1433 VanDerWaalsContact C-N 3.35Å; D1431-I1433 PolarHBondContact O-N 3.46Å; I1433-L1435 PolarHBondContact O-N 2.8Å; I1433-L1437 HydrophobicContact CG1-CD1 4.46Å; I1433-C1461 HydrophobicContact CD1-CB 4.03Å; I1433-C1461 WeakPolarHBondContact CD1-SG 3.33Å; I1433-A1464 HydrophobicContact CG2-CB 4.22Å; I1433-R1465 HydrophobicContact CG2-CG 4.22Å |
| 1434 | S | 68.2 | Low | 72.1 | Confident | 90 Ų | 90 | 56.4 Ų | 56.4 | 63% | 0.629 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -67.3 | -10.5 | 178.5 | -64.1 | 0 | 0 | 0 | 0 | 114.3 | S1430 D1431 G1436 | S1430-S1434 PolarHBondContact O-N 3.49Å; S1430-S1434 PolarHBondContact O-OG 2.72Å; S1430-S1434 VanDerWaalsContact O-OG 3.14Å; D1431-S1434 PolarHBondContact O-N 2.86Å; S1434-G1436 VanDerWaalsContact C-N 3.27Å; S1434-G1436 PolarHBondContact O-N 3.18Å |
| 1435 | L | 68 | Low | 72.1 | Confident | 63 Ų | 63 | 52.2 Ų | 52.2 | 33% | 0.33 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | 14.5 | 177.9 | -71.3 | 166 | 0 | 0 | 0 | 114.5 | P1377 Y1378 L1381 D1431 I1433 | P1377-L1435 HydrophobicContact CB-CD1 4.36Å; Y1378-L1435 HydrophobicContact CD2-CD1 4.29Å; Y1378-L1435 HydrophobicContact CD2-CD2 3.83Å; Y1378-L1435 HydrophobicContact CG-CD1 4.48Å; Y1378-L1435 HydrophobicContact CG-CD2 4.14Å; L1381-L1435 HydrophobicContact CD2-CB 4.33Å; D1431-L1435 VanDerWaalsContact O-CG 3.28Å; D1431-L1435 WeakPolarHBondContact O-CG 3.38Å; D1431-L1435 PolarHBondContact O-N 3.2Å; I1433-L1435 PolarHBondContact O-N 2.8Å |
| 1436 | G | 64.4 | Low | 72 | Confident | 43 Ų | 43 | 48.9 Ų | 48.9 | 44% | 0.443 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69 | 67.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | R1385 S1434 | R1385-G1436 PolarHBondContact NH2-O 3.29Å; S1434-G1436 VanDerWaalsContact C-N 3.27Å; S1434-G1436 PolarHBondContact O-N 3.18Å |
| 1437 | L | 71 | Confident | 72.3 | Confident | 9 Ų | 9 | 48.3 Ų | 48.3 | 5% | 0.047 | 29% | 0.291 | C | S | . | . | trans | -59.9 | 136.1 | 171.2 | -60.7 | 175.5 | 0 | 0 | 0 | 110.9 | L1381 F1416 I1433 E1441 L1445 R1465 | L1381-L1437 HydrophobicContact CD2-CD2 4.05Å; F1416-L1437 HydrophobicContact CE2-CD2 4.21Å; F1416-L1437 HydrophobicContact CZ-CD2 4.02Å; I1433-L1437 HydrophobicContact CG1-CD1 4.46Å; L1437-E1441 VanDerWaalsContact CA-OE2 3.31Å; L1437-E1441 WeakPolarHBondContact CA-OE2 3.36Å; L1437-E1441 HydrophobicContact CB-CB 4.17Å; L1437-E1441 HydrophobicContact CD2-CB 4.35Å; L1437-L1445 HydrophobicContact CD1-CD1 3.42Å; L1437-L1445 VanDerWaalsContact CD1-CD1 3.42Å; L1437-R1465 PolarHBondContact O-NH1 3.35Å | ||
| 1438 | N | 74.8 | Confident | 72.6 | Confident | 71 Ų | 71 | 47.4 Ų | 47.4 | 38% | 0.38 | 27% | 0.267 | S | S | . | . | trans | -77.5 | 174.5 | 177 | 69.2 | 42.6 | 0 | 0 | 0 | 111.8 | W1440 E1441 A1442 | N1438-W1440 PolarHBondContact O-N 3.48Å; N1438-W1440 PolarHBondContact OD1-N 3.37Å; N1438-E1441 PolarHBondContact N-OE2 3.03Å; N1438-E1441 VanDerWaalsContact ND2-CD 3.34Å; N1438-E1441 PolarHBondContact O-N 3.49Å; N1438-E1441 WeakPolarHBondContact OD1-CB 3.2Å; N1438-E1441 WeakPolarHBondContact OD1-CG 3.45Å; N1438-E1441 PolarHBondContact OD1-N 2.76Å; N1438-A1442 VanDerWaalsContact O-CB 3.23Å; N1438-A1442 WeakPolarHBondContact O-CB 3.39Å; N1438-A1442 PolarHBondContact O-N 3.03Å | ||
| 1439 | S | 67 | Low | 72.9 | Confident | 109 Ų | 109 | 45 Ų | 45 | 76% | 0.762 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -65.6 | -36 | -172.8 | 63 | 0 | 0 | 0 | 0 | 113.8 | K1443 | S1439-K1443 WeakPolarHBondContact O-CB 3.31Å; S1439-K1443 PolarHBondContact O-N 3.47Å |
| 1440 | W | 81.3 | Confident | 72.8 | Confident | 71 Ų | 71 | 49.3 Ų | 49.3 | 27% | 0.269 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -69.3 | -48.2 | 173.9 | 178.2 | 101.9 | 0 | 0 | 0 | 110.7 | I1388 D1409 A1412 R1413 F1416 N1438 A1442 K1443 V1444 | I1388-W1440 HydrophobicContact CD1-CH2 4.22Å; I1388-W1440 HydrophobicContact CD1-CZ3 4.22Å; D1409-W1440 PolarHBondContact OD1-NE1 3.47Å; A1412-W1440 HydrophobicContact CB-CH2 3.99Å; A1412-W1440 HydrophobicContact CB-CZ2 4.18Å; R1413-W1440 HydrophobicContact CG-CH2 4.2Å; R1413-W1440 HydrophobicContact CG-CZ2 3.66Å; F1416-W1440 HydrophobicContact CB-CZ3 4.38Å; F1416-W1440 HydrophobicContact CG-CZ3 4.49Å; N1438-W1440 PolarHBondContact O-N 3.48Å; N1438-W1440 PolarHBondContact OD1-N 3.37Å; W1440-A1442 PolarHBondContact O-N 3.02Å; W1440-K1443 PolarHBondContact O-N 2.91Å; W1440-K1443 VanDerWaalsContact O-N 3.17Å; W1440-V1444 HydrophobicContact CD2-CG2 3.88Å; W1440-V1444 HydrophobicContact CE3-CG2 4.11Å; W1440-V1444 HydrophobicContact CG-CG2 4.46Å; W1440-V1444 HydrophobicContact CH2-CG2 4.26Å; W1440-V1444 HydrophobicContact CZ2-CG2 4.06Å; W1440-V1444 HydrophobicContact CZ3-CG2 4.28Å; W1440-V1444 VanDerWaalsContact O-CG2 3.29Å; W1440-V1444 WeakPolarHBondContact O-CG2 3.37Å; W1440-V1444 PolarHBondContact O-N 2.8Å |
| 1441 | E | 80.4 | Confident | 73.1 | Confident | 4 Ų | 4 | 53.3 Ų | 53.3 | 2% | 0.019 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -56.8 | -50.4 | 176.9 | -75.2 | 170.8 | 168.3 | 0 | 0 | 110.8 | R1385 F1416 L1437 N1438 K1443 V1444 L1445 | R1385-E1441 WeakPolarHBondContact CG-OE1 3.49Å; R1385-E1441 IonicContact CZ-OE1 2.76Å; R1385-E1441 IonicContact CZ-OE2 3.62Å; R1385-E1441 IonicContact NE-OE1 3.67Å; R1385-E1441 PolarHBondContact NE-OE1 3.01Å; R1385-E1441 IonicContact NE-OE2 2.79Å; R1385-E1441 PolarHBondContact NE-OE2 3.19Å; R1385-E1441 IonicContact NH2-OE1 2.62Å; R1385-E1441 IonicContact NH2-OE2 3.58Å; R1385-E1441 PolarHBondContact NH2-OE2 3.4Å; F1416-E1441 HydrophobicContact CD2-CG 4.22Å; F1416-E1441 HydrophobicContact CE1-CB 4.08Å; F1416-E1441 VanDerWaalsContact CE1-O 3.25Å; F1416-E1441 WeakPolarHBondContact CE1-O 3.46Å; F1416-E1441 HydrophobicContact CE2-CB 4.01Å; F1416-E1441 HydrophobicContact CE2-CG 3.78Å; F1416-E1441 HydrophobicContact CZ-CB 3.63Å; F1416-E1441 HydrophobicContact CZ-CG 3.94Å; L1437-E1441 VanDerWaalsContact CA-OE2 3.31Å; L1437-E1441 WeakPolarHBondContact CA-OE2 3.36Å; L1437-E1441 HydrophobicContact CB-CB 4.17Å; L1437-E1441 HydrophobicContact CD2-CB 4.35Å; N1438-E1441 PolarHBondContact N-OE2 3.03Å; N1438-E1441 VanDerWaalsContact ND2-CD 3.34Å; N1438-E1441 PolarHBondContact O-N 3.49Å; N1438-E1441 WeakPolarHBondContact OD1-CB 3.2Å; N1438-E1441 WeakPolarHBondContact OD1-CG 3.45Å; N1438-E1441 PolarHBondContact OD1-N 2.76Å; E1441-K1443 VanDerWaalsContact C-N 3.34Å; E1441-K1443 PolarHBondContact O-N 3.38Å; E1441-V1444 PolarHBondContact O-N 3.23Å; E1441-L1445 WeakPolarHBondContact O-CB 3.45Å; E1441-L1445 PolarHBondContact O-N 3.33Å |
| 1442 | A | 73.1 | Confident | 73.2 | Confident | 38 Ų | 38 | 53.3 Ų | 53.3 | 31% | 0.314 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -60.6 | -40.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | N1438 W1440 L1445 F1446 | N1438-A1442 VanDerWaalsContact O-CB 3.23Å; N1438-A1442 WeakPolarHBondContact O-CB 3.39Å; N1438-A1442 PolarHBondContact O-N 3.03Å; W1440-A1442 PolarHBondContact O-N 3.02Å; A1442-L1445 PolarHBondContact O-N 3.38Å; A1442-F1446 VanDerWaalsContact O-CB 3.29Å; A1442-F1446 WeakPolarHBondContact O-CB 3.47Å; A1442-F1446 PolarHBondContact O-N 3.05Å |
| 1443 | K | 71.9 | Confident | 72.5 | Confident | 128 Ų | 128 | 55.8 Ų | 55.8 | 56% | 0.557 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -67.6 | -39.6 | 175.7 | -177.5 | 173 | 179.5 | 176 | 0 | 112.6 | S1439 W1440 E1441 L1445 F1446 E1447 | S1439-K1443 WeakPolarHBondContact O-CB 3.31Å; S1439-K1443 PolarHBondContact O-N 3.47Å; W1440-K1443 PolarHBondContact O-N 2.91Å; W1440-K1443 VanDerWaalsContact O-N 3.17Å; E1441-K1443 VanDerWaalsContact C-N 3.34Å; E1441-K1443 PolarHBondContact O-N 3.38Å; K1443-L1445 VanDerWaalsContact C-N 3.35Å; K1443-F1446 PolarHBondContact O-N 2.94Å; K1443-E1447 VanDerWaalsContact CE-OE1 3.29Å; K1443-E1447 WeakPolarHBondContact CE-OE1 3.46Å; K1443-E1447 HydrophobicContact CG-CG 4.4Å; K1443-E1447 WeakPolarHBondContact O-CB 3.47Å; K1443-E1447 WeakPolarHBondContact O-CG 3.44Å; K1443-E1447 PolarHBondContact O-N 3.39Å |
| 1444 | V | 77.6 | Confident | 72.5 | Confident | 2 Ų | 2 | 57.9 Ų | 57.9 | 1% | 0.012 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -66 | -40.1 | 174.9 | 175 | 0 | 0 | 0 | 0 | 110.6 | R1413 F1416 I1417 W1440 E1441 Y1448 | R1413-V1444 HydrophobicContact CB-CG1 4.23Å; R1413-V1444 HydrophobicContact CG-CG1 4.18Å; R1413-V1444 HydrophobicContact CG-CG2 3.82Å; F1416-V1444 HydrophobicContact CD1-CB 4.16Å; F1416-V1444 HydrophobicContact CD1-CG1 3.85Å; F1416-V1444 HydrophobicContact CE1-CB 4.5Å; I1417-V1444 HydrophobicContact CD1-CG1 4.15Å; I1417-V1444 HydrophobicContact CG1-CG1 4.06Å; W1440-V1444 HydrophobicContact CD2-CG2 3.88Å; W1440-V1444 HydrophobicContact CE3-CG2 4.11Å; W1440-V1444 HydrophobicContact CG-CG2 4.46Å; W1440-V1444 HydrophobicContact CH2-CG2 4.26Å; W1440-V1444 HydrophobicContact CZ2-CG2 4.06Å; W1440-V1444 HydrophobicContact CZ3-CG2 4.28Å; W1440-V1444 VanDerWaalsContact O-CG2 3.29Å; W1440-V1444 WeakPolarHBondContact O-CG2 3.37Å; W1440-V1444 PolarHBondContact O-N 2.8Å; E1441-V1444 PolarHBondContact O-N 3.23Å; V1444-Y1448 WeakPolarHBondContact O-CB 3.25Å; V1444-Y1448 PolarHBondContact O-N 2.86Å |
| 1445 | L | 76.6 | Confident | 72.1 | Confident | 9 Ų | 9 | 57 Ų | 57 | 5% | 0.047 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -66 | -39.8 | 175 | -125.8 | 166.3 | 0 | 0 | 0 | 112.1 | F1416 T1420 L1437 E1441 A1442 K1443 Y1448 Y1449 | F1416-L1445 HydrophobicContact CE1-CB 4.12Å; F1416-L1445 HydrophobicContact CE1-CD1 3.97Å; F1416-L1445 HydrophobicContact CE1-CG 3.95Å; F1416-L1445 HydrophobicContact CZ-CD1 3.9Å; F1416-L1445 HydrophobicContact CZ-CG 4.39Å; T1420-L1445 HydrophobicContact CG2-CD1 4.05Å; T1420-L1445 HydrophobicContact CG2-CD2 3.73Å; T1420-L1445 HydrophobicContact CG2-CG 3.91Å; L1437-L1445 HydrophobicContact CD1-CD1 3.42Å; L1437-L1445 VanDerWaalsContact CD1-CD1 3.42Å; E1441-L1445 WeakPolarHBondContact O-CB 3.45Å; E1441-L1445 PolarHBondContact O-N 3.33Å; A1442-L1445 PolarHBondContact O-N 3.38Å; K1443-L1445 VanDerWaalsContact C-N 3.35Å; L1445-Y1448 PolarHBondContact O-N 2.95Å; L1445-Y1449 HydrophobicContact CD2-CD2 3.37Å; L1445-Y1449 HydrophobicContact CD2-CE2 3.15Å; L1445-Y1449 HydrophobicContact CD2-CG 4.31Å; L1445-Y1449 PolarHBondContact O-N 2.9Å |
| 1446 | F | 72.6 | Confident | 71.7 | Confident | 63 Ų | 63 | 56.5 Ų | 56.5 | 28% | 0.276 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -63.1 | -59 | 173.8 | -169.3 | -73.8 | 0 | 0 | 0 | 110.7 | A1442 K1443 Y1448 Y1449 E1450 L1458 I1474 | A1442-F1446 VanDerWaalsContact O-CB 3.29Å; A1442-F1446 WeakPolarHBondContact O-CB 3.47Å; A1442-F1446 PolarHBondContact O-N 3.05Å; K1443-F1446 PolarHBondContact O-N 2.94Å; F1446-Y1448 PolarHBondContact O-N 3.23Å; F1446-Y1448 VanDerWaalsContact O-N 3.14Å; F1446-Y1449 PolarHBondContact O-N 3.31Å; F1446-E1450 HydrophobicContact CD1-CB 4.47Å; F1446-E1450 WeakPolarHBondContact O-CB 3.33Å; F1446-E1450 PolarHBondContact O-N 2.93Å; F1446-L1458 HydrophobicContact CB-CD1 4.29Å; F1446-L1458 HydrophobicContact CD2-CD1 3.81Å; F1446-L1458 HydrophobicContact CD2-CD2 4.06Å; F1446-L1458 HydrophobicContact CD2-CG 4.36Å; F1446-L1458 HydrophobicContact CE2-CD1 4.44Å; F1446-L1458 HydrophobicContact CE2-CD2 4.03Å; F1446-L1458 HydrophobicContact CG-CD1 4.2Å; F1446-L1458 HydrophobicContact CG-CD2 4.32Å; F1446-L1458 HydrophobicContact CZ-CD2 4.27Å; F1446-I1474 HydrophobicContact CE2-CD1 3.85Å; F1446-I1474 HydrophobicContact CZ-CD1 3.97Å |
| 1447 | E | 75.7 | Confident | 71.7 | Confident | 35 Ų | 35 | 56.7 Ų | 56.7 | 16% | 0.164 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -54.6 | -34.6 | 177.2 | -75.5 | -178.2 | -142.9 | 0 | 0 | 111.7 | R1413 K1443 K1451 | R1413-E1447 IonicContact CZ-OE1 3.91Å; R1413-E1447 IonicContact CZ-OE2 3.05Å; R1413-E1447 IonicContact NH1-OE1 2.6Å; R1413-E1447 PolarHBondContact NH1-OE1 2.85Å; R1413-E1447 IonicContact NH1-OE2 2.62Å; R1413-E1447 PolarHBondContact NH1-OE2 3.25Å; R1413-E1447 IonicContact NH2-OE1 3.69Å; R1413-E1447 PolarHBondContact NH2-OE1 2.85Å; R1413-E1447 IonicContact NH2-OE2 3Å; K1443-E1447 VanDerWaalsContact CE-OE1 3.29Å; K1443-E1447 WeakPolarHBondContact CE-OE1 3.46Å; K1443-E1447 HydrophobicContact CG-CG 4.4Å; K1443-E1447 WeakPolarHBondContact O-CB 3.47Å; K1443-E1447 WeakPolarHBondContact O-CG 3.44Å; K1443-E1447 PolarHBondContact O-N 3.39Å; E1447-K1451 WeakPolarHBondContact O-CB 3.43Å; E1447-K1451 VanDerWaalsContact O-CD 3.26Å; E1447-K1451 WeakPolarHBondContact O-CD 3.12Å; E1447-K1451 WeakPolarHBondContact O-CG 3.37Å; E1447-K1451 PolarHBondContact O-N 3.14Å; E1447-K1451 IonicContact OE2-NZ 3Å; E1447-K1451 PolarHBondContact OE2-NZ 3.41Å |
| 1448 | Y | 81.1 | Confident | 71.4 | Confident | 51 Ų | 51 | 56.8 Ų | 56.8 | 20% | 0.2 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -73.4 | -49.3 | 178.7 | 179 | -111.7 | 0 | 0 | 0 | 113.1 | I1417 V1444 L1445 F1446 E1450 K1451 T1452 | I1417-Y1448 HydrophobicContact CB-CD2 4.45Å; I1417-Y1448 HydrophobicContact CD1-CD2 3.7Å; I1417-Y1448 HydrophobicContact CD1-CE2 4.41Å; I1417-Y1448 HydrophobicContact CD1-CG 4.03Å; I1417-Y1448 HydrophobicContact CG1-CD1 4.36Å; I1417-Y1448 HydrophobicContact CG1-CD2 3.9Å; I1417-Y1448 HydrophobicContact CG1-CE2 4.47Å; I1417-Y1448 HydrophobicContact CG1-CG 3.84Å; I1417-Y1448 HydrophobicContact CG2-CD1 4.18Å; I1417-Y1448 HydrophobicContact CG2-CD2 3.7Å; I1417-Y1448 HydrophobicContact CG2-CE1 3.89Å; I1417-Y1448 HydrophobicContact CG2-CE2 3.38Å; I1417-Y1448 HydrophobicContact CG2-CG 4.09Å; I1417-Y1448 VanDerWaalsContact CG2-CZ 3.49Å; V1444-Y1448 WeakPolarHBondContact O-CB 3.25Å; V1444-Y1448 PolarHBondContact O-N 2.86Å; L1445-Y1448 PolarHBondContact O-N 2.95Å; F1446-Y1448 PolarHBondContact O-N 3.23Å; F1446-Y1448 VanDerWaalsContact O-N 3.14Å; Y1448-E1450 VanDerWaalsContact C-N 3.32Å; Y1448-K1451 PolarHBondContact O-N 3.44Å; Y1448-T1452 HydrophobicContact CD2-CG2 3.95Å; Y1448-T1452 HydrophobicContact CE1-CG2 4.46Å; Y1448-T1452 HydrophobicContact CE2-CG2 3.51Å; Y1448-T1452 WeakPolarHBondContact O-CB 3.44Å; Y1448-T1452 WeakPolarHBondContact O-CG2 3.34Å; Y1448-T1452 PolarHBondContact O-N 2.91Å; Y1448-T1452 PolarHBondContact O-OG1 3.44Å |
| 1449 | Y | 76.3 | Confident | 70.9 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -74.8 | -22.1 | 178.2 | -72.1 | -31.4 | 0 | 0 | 0 | 113.6 | T1420 L1429 L1445 F1446 T1452 G1453 Q1454 L1457 | T1420-Y1449 WeakPolarHBondContact CG2-OH 3.38Å; L1429-Y1449 HydrophobicContact CD2-CE2 4.11Å; L1429-Y1449 WeakPolarHBondContact CD2-OH 3.39Å; L1445-Y1449 HydrophobicContact CD2-CD2 3.37Å; L1445-Y1449 HydrophobicContact CD2-CE2 3.15Å; L1445-Y1449 HydrophobicContact CD2-CG 4.31Å; L1445-Y1449 PolarHBondContact O-N 2.9Å; F1446-Y1449 PolarHBondContact O-N 3.31Å; Y1449-T1452 WeakPolarHBondContact CA-OG1 3.24Å; Y1449-G1453 CarbonylContact O-C 3.52Å; Y1449-G1453 PolarHBondContact O-N 3.33Å; Y1449-Q1454 HydrophobicContact CD1-CB 3.81Å; Y1449-Q1454 HydrophobicContact CD1-CG 4.39Å; Y1449-Q1454 HydrophobicContact CE1-CB 4.47Å; Y1449-Q1454 HydrophobicContact CG-CB 4.27Å; Y1449-Q1454 PolarHBondContact O-N 2.94Å; Y1449-L1457 HydrophobicContact CD2-CB 4.12Å; Y1449-L1457 HydrophobicContact CE1-CD2 4.12Å; Y1449-L1457 HydrophobicContact CE2-CB 4.06Å; Y1449-L1457 HydrophobicContact CE2-CD2 3.98Å |
| 1450 | E | 71.7 | Confident | 70.6 | Confident | 108 Ų | 108 | 53.9 Ų | 53.9 | 51% | 0.505 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -65.9 | -57.7 | 164.1 | -177.1 | 176.2 | -130.2 | 0 | 0 | 110.7 | F1446 Y1448 T1452 G1453 | F1446-E1450 HydrophobicContact CD1-CB 4.47Å; F1446-E1450 WeakPolarHBondContact O-CB 3.33Å; F1446-E1450 PolarHBondContact O-N 2.93Å; Y1448-E1450 VanDerWaalsContact C-N 3.32Å; E1450-T1452 VanDerWaalsContact C-N 3.29Å; E1450-T1452 PolarHBondContact O-N 2.81Å; E1450-G1453 PolarHBondContact O-N 2.95Å |
| 1451 | K | 70.8 | Confident | 69.5 | Low | 155 Ų | 155 | 51.2 Ų | 51.2 | 67% | 0.674 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -65.2 | -25.9 | -178.9 | -71.4 | 165.7 | -172.2 | 161.4 | 0 | 114.2 | E1447 Y1448 | E1447-K1451 WeakPolarHBondContact O-CB 3.43Å; E1447-K1451 VanDerWaalsContact O-CD 3.26Å; E1447-K1451 WeakPolarHBondContact O-CD 3.12Å; E1447-K1451 WeakPolarHBondContact O-CG 3.37Å; E1447-K1451 PolarHBondContact O-N 3.14Å; E1447-K1451 IonicContact OE2-NZ 3Å; E1447-K1451 PolarHBondContact OE2-NZ 3.41Å; Y1448-K1451 PolarHBondContact O-N 3.44Å |
| 1452 | T | 71.3 | Confident | 68.6 | Low | 59 Ų | 59 | 52 Ų | 52 | 36% | 0.362 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | 1.5 | 174.4 | 57.4 | 0 | 0 | 0 | 0 | 113.9 | Y1448 Y1449 E1450 Q1454 | Y1448-T1452 HydrophobicContact CD2-CG2 3.95Å; Y1448-T1452 HydrophobicContact CE1-CG2 4.46Å; Y1448-T1452 HydrophobicContact CE2-CG2 3.51Å; Y1448-T1452 WeakPolarHBondContact O-CB 3.44Å; Y1448-T1452 WeakPolarHBondContact O-CG2 3.34Å; Y1448-T1452 PolarHBondContact O-N 2.91Å; Y1448-T1452 PolarHBondContact O-OG1 3.44Å; Y1449-T1452 WeakPolarHBondContact CA-OG1 3.24Å; E1450-T1452 VanDerWaalsContact C-N 3.29Å; E1450-T1452 PolarHBondContact O-N 2.81Å; T1452-Q1454 PolarHBondContact O-N 3.01Å |
| 1453 | G | 59.4 | Low | 67.9 | Low | 52 Ų | 52 | 52.1 Ų | 52.1 | 54% | 0.536 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.4 | 11.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y1449 E1450 Q1455 | Y1449-G1453 CarbonylContact O-C 3.52Å; Y1449-G1453 PolarHBondContact O-N 3.33Å; E1450-G1453 PolarHBondContact O-N 2.95Å; G1453-Q1455 PolarHBondContact O-N 3.23Å |
| 1454 | Q | 68.3 | Low | 67 | Low | 55 Ų | 55 | 48.6 Ų | 48.6 | 26% | 0.257 | 26% | 0.256 | S | S | . | . | trans | -81.4 | 47.8 | -179.2 | -61.4 | -167.7 | 32 | 0 | 0 | 112.1 | Y1449 T1452 N1456 L1457 L1458 | Y1449-Q1454 HydrophobicContact CD1-CB 3.81Å; Y1449-Q1454 HydrophobicContact CD1-CG 4.39Å; Y1449-Q1454 HydrophobicContact CE1-CB 4.47Å; Y1449-Q1454 HydrophobicContact CG-CB 4.27Å; Y1449-Q1454 PolarHBondContact O-N 2.94Å; T1452-Q1454 PolarHBondContact O-N 3.01Å; Q1454-N1456 PolarHBondContact O-N 3.48Å; Q1454-N1456 VanDerWaalsContact O-N 3.16Å; Q1454-L1457 HydrophobicContact CB-CB 4.43Å; Q1454-L1457 WeakPolarHBondContact O-CB 3.28Å; Q1454-L1457 PolarHBondContact O-N 3.38Å; Q1454-L1458 PolarHBondContact O-N 3.42Å | ||
| 1455 | Q | 60.9 | Low | 65.6 | Low | 72 Ų | 72 | 53 Ų | 53 | 34% | 0.336 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -58 | -32 | -174 | -65.9 | 178.1 | -36.8 | 0 | 0 | 113.6 | G1453 L1457 L1458 F1459 N1478 | G1453-Q1455 PolarHBondContact O-N 3.23Å; Q1455-L1457 VanDerWaalsContact C-N 3.29Å; Q1455-L1457 PolarHBondContact O-N 2.97Å; Q1455-L1458 PolarHBondContact O-N 3.47Å; Q1455-F1459 VanDerWaalsContact O-CB 3.31Å; Q1455-F1459 WeakPolarHBondContact O-CB 3.37Å; Q1455-F1459 PolarHBondContact O-N 3.01Å; Q1455-N1478 PolarHBondContact NE2-OD1 3.41Å; Q1455-N1478 PolarHBondContact OE1-ND2 3.5Å; Q1455-N1478 PolarHBondContact OE1-OD1 3.06Å |
| 1456 | N | 58.6 | Low | 64.6 | Low | 52 Ų | 52 | 56.2 Ų | 56.2 | 28% | 0.278 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60.3 | -37.2 | 173.7 | -76.2 | 11.7 | 0 | 0 | 0 | 112.5 | Q1454 H1460 Q1503 | Q1454-N1456 PolarHBondContact O-N 3.48Å; Q1454-N1456 VanDerWaalsContact O-N 3.16Å; N1456-H1460 PolarHBondContact O-CD2 2.95Å; N1456-H1460 PolarHBondContact O-N 3.08Å; N1456-Q1503 PolarHBondContact ND2-OE1 3.3Å |
| 1457 | L | 65.5 | Low | 63.9 | Low | 47 Ų | 47 | 57.7 Ų | 57.7 | 25% | 0.246 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -70.3 | -48 | 175.2 | -104.3 | 70.6 | 0 | 0 | 0 | 110.5 | R1424 L1429 Y1449 Q1454 Q1455 F1459 H1460 C1461 | R1424-L1457 HydrophobicContact CG-CD2 3.84Å; L1429-L1457 HydrophobicContact CD2-CD2 3.42Å; L1429-L1457 VanDerWaalsContact CD2-CD2 3.42Å; L1429-L1457 HydrophobicContact CD2-CG 4.03Å; Y1449-L1457 HydrophobicContact CD2-CB 4.12Å; Y1449-L1457 HydrophobicContact CE1-CD2 4.12Å; Y1449-L1457 HydrophobicContact CE2-CB 4.06Å; Y1449-L1457 HydrophobicContact CE2-CD2 3.98Å; Q1454-L1457 HydrophobicContact CB-CB 4.43Å; Q1454-L1457 WeakPolarHBondContact O-CB 3.28Å; Q1454-L1457 PolarHBondContact O-N 3.38Å; Q1455-L1457 VanDerWaalsContact C-N 3.29Å; Q1455-L1457 PolarHBondContact O-N 2.97Å; L1457-F1459 PolarHBondContact O-N 3.26Å; L1457-H1460 PolarHBondContact O-N 3.21Å; L1457-C1461 PolarHBondContact O-N 2.92Å; L1457-C1461 PolarHBondContact O-SG 3.41Å |
| 1458 | L | 65.4 | Low | 63.1 | Low | 11 Ų | 11 | 59.3 Ų | 59.3 | 6% | 0.058 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -55.3 | -40.3 | 176.9 | -173.2 | 58.7 | 0 | 0 | 0 | 112 | F1446 Q1454 Q1455 C1461 L1462 | F1446-L1458 HydrophobicContact CB-CD1 4.29Å; F1446-L1458 HydrophobicContact CD2-CD1 3.81Å; F1446-L1458 HydrophobicContact CD2-CD2 4.06Å; F1446-L1458 HydrophobicContact CD2-CG 4.36Å; F1446-L1458 HydrophobicContact CE2-CD1 4.44Å; F1446-L1458 HydrophobicContact CE2-CD2 4.03Å; F1446-L1458 HydrophobicContact CG-CD1 4.2Å; F1446-L1458 HydrophobicContact CG-CD2 4.32Å; F1446-L1458 HydrophobicContact CZ-CD2 4.27Å; Q1454-L1458 PolarHBondContact O-N 3.42Å; Q1455-L1458 PolarHBondContact O-N 3.47Å; L1458-C1461 WeakPolarHBondContact O-CB 3.48Å; L1458-C1461 PolarHBondContact O-N 3.04Å; L1458-L1462 HydrophobicContact CG-CD1 4.32Å; L1458-L1462 WeakPolarHBondContact O-CG 3.31Å; L1458-L1462 PolarHBondContact O-N 3.43Å |
| 1459 | F | 63.9 | Low | 61.6 | Low | 6 Ų | 6 | 62.7 Ų | 62.7 | 3% | 0.026 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63.6 | -44.3 | 174.8 | -175.6 | -87.7 | 0 | 0 | 0 | 112.6 | Q1455 L1457 C1461 L1462 I1463 A1471 L1475 M1507 I1511 | Q1455-F1459 VanDerWaalsContact O-CB 3.31Å; Q1455-F1459 WeakPolarHBondContact O-CB 3.37Å; Q1455-F1459 PolarHBondContact O-N 3.01Å; L1457-F1459 PolarHBondContact O-N 3.26Å; F1459-C1461 VanDerWaalsContact C-N 3.32Å; F1459-C1461 PolarHBondContact O-N 2.96Å; F1459-L1462 PolarHBondContact O-N 3.46Å; F1459-I1463 HydrophobicContact CD1-CD1 4.08Å; F1459-I1463 HydrophobicContact CD1-CG1 4.43Å; F1459-I1463 HydrophobicContact CE1-CD1 3.27Å; F1459-I1463 HydrophobicContact CE1-CG1 3.97Å; F1459-I1463 HydrophobicContact CZ-CD1 3.72Å; F1459-I1463 HydrophobicContact CZ-CG1 4.3Å; F1459-I1463 PolarHBondContact O-N 2.86Å; F1459-A1471 HydrophobicContact CD2-CB 4Å; F1459-A1471 HydrophobicContact CE2-CB 3.85Å; F1459-L1475 HydrophobicContact CD2-CD1 4.44Å; F1459-L1475 HydrophobicContact CE2-CB 4.36Å; F1459-L1475 HydrophobicContact CE2-CD1 3.66Å; F1459-L1475 HydrophobicContact CZ-CD1 4.06Å; F1459-M1507 HydrophobicContact CB-CE 4.27Å; F1459-M1507 HydrophobicContact CD1-CB 4.31Å; F1459-M1507 HydrophobicContact CD1-CE 3.6Å; F1459-M1507 HydrophobicContact CD1-CG 3.79Å; F1459-M1507 HydrophobicContact CD1-SD 3.87Å; F1459-M1507 HydrophobicContact CD2-CE 3.78Å; F1459-M1507 HydrophobicContact CE1-CB 3.49Å; F1459-M1507 VanDerWaalsContact CE1-CB 3.49Å; F1459-M1507 HydrophobicContact CE1-CE 3.77Å; F1459-M1507 HydrophobicContact CE1-CG 3.36Å; F1459-M1507 HydrophobicContact CE1-SD 4.03Å; F1459-M1507 HydrophobicContact CE2-CB 4.49Å; F1459-M1507 HydrophobicContact CE2-CE 3.93Å; F1459-M1507 HydrophobicContact CG-CE 3.6Å; F1459-M1507 HydrophobicContact CG-SD 4.39Å; F1459-M1507 HydrophobicContact CZ-CB 3.59Å; F1459-M1507 HydrophobicContact CZ-CE 3.92Å; F1459-M1507 HydrophobicContact CZ-CG 4.01Å; F1459-I1511 HydrophobicContact CE2-CD1 3.6Å; F1459-I1511 HydrophobicContact CZ-CD1 3.41Å; F1459-I1511 VanDerWaalsContact CZ-CD1 3.41Å; F1459-I1511 HydrophobicContact CZ-CG1 3.94Å |
| 1460 | H | 60.1 | Low | 60.7 | Low | 113 Ų | 113 | 65.6 Ų | 65.6 | 52% | 0.523 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.2 | -36.2 | 172.5 | -79.4 | -62 | 0 | 0 | 0 | 112.4 | N1456 L1457 L1462 A1464 | N1456-H1460 PolarHBondContact O-CD2 2.95Å; N1456-H1460 PolarHBondContact O-N 3.08Å; L1457-H1460 PolarHBondContact O-N 3.21Å; H1460-L1462 VanDerWaalsContact C-N 3.33Å; H1460-L1462 PolarHBondContact O-N 3.31Å; H1460-A1464 VanDerWaalsContact O-CB 3.31Å; H1460-A1464 WeakPolarHBondContact O-CB 3.29Å; H1460-A1464 PolarHBondContact O-N 3.43Å |
| 1461 | C | 58.3 | Low | 59.9 | Low | 16 Ų | 16 | 60.5 Ų | 60.5 | 11% | 0.108 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.7 | -41.3 | 172.4 | -55.3 | 0 | 0 | 0 | 0 | 112.2 | I1433 L1457 L1458 F1459 A1464 R1465 | I1433-C1461 HydrophobicContact CD1-CB 4.03Å; I1433-C1461 WeakPolarHBondContact CD1-SG 3.33Å; L1457-C1461 PolarHBondContact O-N 2.92Å; L1457-C1461 PolarHBondContact O-SG 3.41Å; L1458-C1461 WeakPolarHBondContact O-CB 3.48Å; L1458-C1461 PolarHBondContact O-N 3.04Å; F1459-C1461 VanDerWaalsContact C-N 3.32Å; F1459-C1461 PolarHBondContact O-N 2.96Å; C1461-A1464 PolarHBondContact O-N 3.17Å; C1461-R1465 PolarHBondContact O-N 3.34Å |
| 1462 | L | 61.7 | Low | 59.3 | Low | 20 Ų | 20 | 55.1 Ų | 55.1 | 11% | 0.105 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -73.4 | -39.1 | -177.8 | -70.2 | 165.5 | 0 | 0 | 0 | 112.5 | L1458 F1459 H1460 R1465 S1466 H1467 A1471 I1474 | L1458-L1462 HydrophobicContact CG-CD1 4.32Å; L1458-L1462 WeakPolarHBondContact O-CG 3.31Å; L1458-L1462 PolarHBondContact O-N 3.43Å; F1459-L1462 PolarHBondContact O-N 3.46Å; H1460-L1462 VanDerWaalsContact C-N 3.33Å; H1460-L1462 PolarHBondContact O-N 3.31Å; L1462-R1465 CarbonylContact O-C 3.55Å; L1462-R1465 PolarHBondContact O-N 3.3Å; L1462-S1466 PolarHBondContact O-N 3.3Å; L1462-S1466 VanDerWaalsContact O-N 3.16Å; L1462-H1467 HydrophobicContact CD2-CB 4.04Å; L1462-H1467 PolarHBondContact O-N 3.49Å; L1462-A1471 HydrophobicContact CB-CB 3.97Å; L1462-A1471 HydrophobicContact CD1-CB 4.43Å; L1462-I1474 HydrophobicContact CD1-CD1 3.59Å |
| 1463 | I | 58.5 | Low | 58.8 | Low | 41 Ų | 41 | 55.5 Ų | 55.5 | 21% | 0.21 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.9 | -43 | 170.4 | -74.7 | -169.4 | 0 | 0 | 0 | 111 | F1459 R1465 S1466 I1511 | F1459-I1463 HydrophobicContact CD1-CD1 4.08Å; F1459-I1463 HydrophobicContact CD1-CG1 4.43Å; F1459-I1463 HydrophobicContact CE1-CD1 3.27Å; F1459-I1463 HydrophobicContact CE1-CG1 3.97Å; F1459-I1463 HydrophobicContact CZ-CD1 3.72Å; F1459-I1463 HydrophobicContact CZ-CG1 4.3Å; F1459-I1463 PolarHBondContact O-N 2.86Å; I1463-R1465 PolarHBondContact O-N 3.07Å; I1463-R1465 VanDerWaalsContact O-N 3.08Å; I1463-S1466 PolarHBondContact O-N 3.46Å; I1463-I1511 HydrophobicContact CD1-CG1 4.01Å |
| 1464 | A | 52.8 | Low | 58.8 | Low | 54 Ų | 54 | 54.5 Ų | 54.5 | 45% | 0.446 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -14.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114 | I1433 H1460 C1461 | I1433-A1464 HydrophobicContact CG2-CB 4.22Å; H1460-A1464 VanDerWaalsContact O-CB 3.31Å; H1460-A1464 WeakPolarHBondContact O-CB 3.29Å; H1460-A1464 PolarHBondContact O-N 3.43Å; C1461-A1464 PolarHBondContact O-N 3.17Å |
| 1465 | R | 48.6 | Very low | 58.2 | Low | 93 Ų | 93 | 52.1 Ų | 52.1 | 35% | 0.351 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.4 | 16.5 | 173.3 | -66.8 | -170.7 | 66.7 | 135.8 | -0.1 | 113.6 | I1433 L1437 C1461 L1462 I1463 H1467 | I1433-R1465 HydrophobicContact CG2-CG 4.22Å; L1437-R1465 PolarHBondContact O-NH1 3.35Å; C1461-R1465 PolarHBondContact O-N 3.34Å; L1462-R1465 CarbonylContact O-C 3.55Å; L1462-R1465 PolarHBondContact O-N 3.3Å; I1463-R1465 PolarHBondContact O-N 3.07Å; I1463-R1465 VanDerWaalsContact O-N 3.08Å; R1465-H1467 PolarHBondContact O-CD2 3.11Å; R1465-H1467 PolarHBondContact O-N 2.95Å |
| 1466 | S | 54.9 | Low | 58 | Low | 78 Ų | 78 | 51.6 Ų | 51.6 | 55% | 0.545 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.6 | 20.3 | 178.7 | 45.5 | 0 | 0 | 0 | 0 | 116.2 | L1462 I1463 Y1468 | L1462-S1466 PolarHBondContact O-N 3.3Å; L1462-S1466 VanDerWaalsContact O-N 3.16Å; I1463-S1466 PolarHBondContact O-N 3.46Å; S1466-Y1468 WeakPolarHBondContact O-CD2 3.34Å; S1466-Y1468 PolarHBondContact O-N 2.69Å |
| 1467 | H | 58.3 | Low | 57.8 | Low | 94 Ų | 94 | 53.7 Ų | 53.7 | 44% | 0.435 | 28% | 0.279 | S | S | . | . | trans | -81.3 | 57.3 | 175.5 | -69 | -66.9 | 0 | 0 | 0 | 111.1 | L1462 R1465 Q1469 T1470 A1471 | L1462-H1467 HydrophobicContact CD2-CB 4.04Å; L1462-H1467 PolarHBondContact O-N 3.49Å; R1465-H1467 PolarHBondContact O-CD2 3.11Å; R1465-H1467 PolarHBondContact O-N 2.95Å; H1467-Q1469 VanDerWaalsContact C-N 3.31Å; H1467-Q1469 PolarHBondContact O-N 3.49Å; H1467-T1470 PolarHBondContact O-N 3.24Å; H1467-A1471 PolarHBondContact O-N 3.47Å | ||
| 1468 | Y | 58.1 | Low | 57 | Low | 69 Ų | 69 | 54.6 Ų | 54.6 | 27% | 0.271 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -60.9 | -36.7 | -171.4 | -55.2 | -66.9 | 0 | 0 | 0 | 113.2 | S1466 A1471 M1472 C1514 L1515 | S1466-Y1468 WeakPolarHBondContact O-CD2 3.34Å; S1466-Y1468 PolarHBondContact O-N 2.69Å; Y1468-A1471 PolarHBondContact O-N 3.12Å; Y1468-M1472 WeakPolarHBondContact O-CB 3.27Å; Y1468-M1472 PolarHBondContact O-N 3.04Å; Y1468-C1514 HydrophobicContact CD1-CB 4.37Å; Y1468-C1514 HydrophobicContact CE1-CB 3.83Å; Y1468-L1515 HydrophobicContact CD2-CD1 4.19Å; Y1468-L1515 HydrophobicContact CG-CD1 3.93Å |
| 1469 | Q | 49.3 | Very low | 56 | Low | 122 Ų | 122 | 57.1 Ų | 57.1 | 57% | 0.57 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -62.7 | -51.1 | 177.6 | -171.6 | 59.9 | 45.4 | 0 | 0 | 111.1 | H1467 A1471 M1472 D1473 | H1467-Q1469 VanDerWaalsContact C-N 3.31Å; H1467-Q1469 PolarHBondContact O-N 3.49Å; Q1469-A1471 VanDerWaalsContact C-N 3.3Å; Q1469-A1471 PolarHBondContact O-N 3.16Å; Q1469-M1472 CarbonylContact O-C 3.59Å; Q1469-M1472 WeakPolarHBondContact O-CA 3.46Å; Q1469-M1472 WeakPolarHBondContact O-CB 3.23Å; Q1469-M1472 PolarHBondContact O-N 2.79Å; Q1469-D1473 PolarHBondContact NE2-OD1 3.14Å; Q1469-D1473 PolarHBondContact O-N 3.36Å |
| 1470 | T | 58.2 | Low | 54.7 | Low | 61 Ų | 61 | 61.9 Ų | 61.9 | 37% | 0.374 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -63.1 | -36 | 178.1 | -40.5 | 0 | 0 | 0 | 0 | 112.2 | H1467 I1474 | H1467-T1470 PolarHBondContact O-N 3.24Å; T1470-I1474 HydrophobicContact CG2-CD1 4.39Å; T1470-I1474 WeakPolarHBondContact O-CD1 3.42Å; T1470-I1474 VanDerWaalsContact O-CG1 3.31Å; T1470-I1474 WeakPolarHBondContact O-CG1 3.3Å; T1470-I1474 PolarHBondContact O-N 3.49Å; T1470-I1474 VanDerWaalsContact O-N 3.11Å |
| 1471 | A | 54.4 | Low | 53.6 | Low | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -64.5 | -38.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | F1459 L1462 H1467 Y1468 Q1469 L1475 I1511 | F1459-A1471 HydrophobicContact CD2-CB 4Å; F1459-A1471 HydrophobicContact CE2-CB 3.85Å; L1462-A1471 HydrophobicContact CB-CB 3.97Å; L1462-A1471 HydrophobicContact CD1-CB 4.43Å; H1467-A1471 PolarHBondContact O-N 3.47Å; Y1468-A1471 PolarHBondContact O-N 3.12Å; Q1469-A1471 VanDerWaalsContact C-N 3.3Å; Q1469-A1471 PolarHBondContact O-N 3.16Å; A1471-L1475 VanDerWaalsContact O-CB 3.31Å; A1471-L1475 WeakPolarHBondContact O-CB 3.33Å; A1471-L1475 PolarHBondContact O-N 3.01Å; A1471-L1475 VanDerWaalsContact O-N 3.07Å; A1471-I1511 HydrophobicContact CB-CD1 3.97Å |
| 1472 | M | 58.6 | Low | 52.4 | Low | 43 Ų | 43 | 67.2 Ų | 67.2 | 21% | 0.212 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -71.3 | -39.5 | 177.1 | -163.8 | 67.5 | 176.4 | 0 | 0 | 112 | Y1468 Q1469 L1475 N1476 I1511 | Y1468-M1472 WeakPolarHBondContact O-CB 3.27Å; Y1468-M1472 PolarHBondContact O-N 3.04Å; Q1469-M1472 CarbonylContact O-C 3.59Å; Q1469-M1472 WeakPolarHBondContact O-CA 3.46Å; Q1469-M1472 WeakPolarHBondContact O-CB 3.23Å; Q1469-M1472 PolarHBondContact O-N 2.79Å; M1472-L1475 CarbonylContact O-C 3.51Å; M1472-L1475 PolarHBondContact O-N 3.35Å; M1472-N1476 WeakPolarHBondContact O-CB 3.46Å; M1472-N1476 PolarHBondContact O-N 2.93Å; M1472-N1476 PolarHBondContact O-ND2 2.73Å; M1472-I1511 HydrophobicContact SD-CD1 4.41Å; M1472-I1511 HydrophobicContact SD-CG2 4.14Å |
| 1473 | D | 61.9 | Low | 50.7 | Low | 67 Ų | 67 | 71.2 Ų | 71.2 | 36% | 0.358 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -66.2 | -39.2 | 178 | -62.7 | -30 | 0 | 0 | 0 | 111.5 | Q1469 N1476 N1477 | Q1469-D1473 PolarHBondContact NE2-OD1 3.14Å; Q1469-D1473 PolarHBondContact O-N 3.36Å; D1473-N1476 PolarHBondContact O-N 2.96Å; D1473-N1477 WeakPolarHBondContact O-CB 3.45Å; D1473-N1477 PolarHBondContact O-N 2.72Å; D1473-N1477 PolarHBondContact O-ND2 3.03Å |
| 1474 | I | 58.4 | Low | 49.3 | Very low | 30 Ų | 30 | 77 Ų | 77 | 15% | 0.154 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -64.5 | -43 | 171.2 | -69.6 | 166.1 | 0 | 0 | 0 | 110.8 | F1446 L1462 T1470 N1476 N1477 N1478 | F1446-I1474 HydrophobicContact CE2-CD1 3.85Å; F1446-I1474 HydrophobicContact CZ-CD1 3.97Å; L1462-I1474 HydrophobicContact CD1-CD1 3.59Å; T1470-I1474 HydrophobicContact CG2-CD1 4.39Å; T1470-I1474 WeakPolarHBondContact O-CD1 3.42Å; T1470-I1474 VanDerWaalsContact O-CG1 3.31Å; T1470-I1474 WeakPolarHBondContact O-CG1 3.3Å; T1470-I1474 PolarHBondContact O-N 3.49Å; T1470-I1474 VanDerWaalsContact O-N 3.11Å; I1474-N1476 VanDerWaalsContact C-N 3.29Å; I1474-N1476 PolarHBondContact O-N 3.31Å; I1474-N1477 PolarHBondContact O-N 2.8Å; I1474-N1478 WeakPolarHBondContact O-CB 3.49Å; I1474-N1478 PolarHBondContact O-N 3.24Å |
| 1475 | L | 56.6 | Low | 48.2 | Very low | 5 Ų | 5 | 80.3 Ų | 80.3 | 3% | 0.026 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -65.7 | -32 | 177.8 | -168.5 | 146.6 | 0 | 0 | 0 | 112 | F1459 A1471 M1472 N1479 V1504 M1507 K1508 | F1459-L1475 HydrophobicContact CD2-CD1 4.44Å; F1459-L1475 HydrophobicContact CE2-CB 4.36Å; F1459-L1475 HydrophobicContact CE2-CD1 3.66Å; F1459-L1475 HydrophobicContact CZ-CD1 4.06Å; A1471-L1475 VanDerWaalsContact O-CB 3.31Å; A1471-L1475 WeakPolarHBondContact O-CB 3.33Å; A1471-L1475 PolarHBondContact O-N 3.01Å; A1471-L1475 VanDerWaalsContact O-N 3.07Å; M1472-L1475 CarbonylContact O-C 3.51Å; M1472-L1475 PolarHBondContact O-N 3.35Å; L1475-N1479 PolarHBondContact O-N 3.3Å; L1475-N1479 PolarHBondContact O-ND2 2.92Å; L1475-V1504 HydrophobicContact CD1-CG1 4.38Å; L1475-V1504 HydrophobicContact CD2-CG1 4.39Å; L1475-V1504 HydrophobicContact CG-CG1 4.39Å; L1475-M1507 HydrophobicContact CD1-CB 4.19Å; L1475-M1507 HydrophobicContact CD1-CE 3.88Å; L1475-K1508 HydrophobicContact CD1-CG 4.26Å; L1475-K1508 HydrophobicContact CD2-CD 4.37Å; L1475-K1508 HydrophobicContact CD2-CG 3.75Å |
| 1476 | N | 56.7 | Low | 47.2 | Very low | 61 Ų | 61 | 84.4 Ų | 84.4 | 33% | 0.326 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -76 | -44.4 | 174.7 | -72.9 | -25.7 | 0 | 0 | 0 | 112.6 | M1472 D1473 I1474 N1478 N1479 N1480 | M1472-N1476 WeakPolarHBondContact O-CB 3.46Å; M1472-N1476 PolarHBondContact O-N 2.93Å; M1472-N1476 PolarHBondContact O-ND2 2.73Å; D1473-N1476 PolarHBondContact O-N 2.96Å; I1474-N1476 VanDerWaalsContact C-N 3.29Å; I1474-N1476 PolarHBondContact O-N 3.31Å; N1476-N1478 PolarHBondContact O-N 3.29Å; N1476-N1479 WeakPolarHBondContact O-CA 3.45Å; N1476-N1479 WeakPolarHBondContact O-CB 3.22Å; N1476-N1479 PolarHBondContact O-N 3.09Å; N1476-N1480 PolarHBondContact O-N 3.48Å |
| 1477 | N | 54.1 | Low | 45.9 | Very low | 97 Ų | 97 | 88.9 Ų | 88.9 | 52% | 0.519 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -59.9 | -35.9 | 175.2 | -77 | -21.3 | 0 | 0 | 0 | 112 | D1473 I1474 N1479 N1480 N1481 | D1473-N1477 WeakPolarHBondContact O-CB 3.45Å; D1473-N1477 PolarHBondContact O-N 2.72Å; D1473-N1477 PolarHBondContact O-ND2 3.03Å; I1474-N1477 PolarHBondContact O-N 2.8Å; N1477-N1479 VanDerWaalsContact C-N 3.31Å; N1477-N1479 PolarHBondContact O-N 3.31Å; N1477-N1480 PolarHBondContact O-N 3.17Å; N1477-N1481 PolarHBondContact O-N 3.2Å |
| 1478 | N | 48.6 | Very low | 44.4 | Very low | 65 Ų | 65 | 89.3 Ų | 89.3 | 35% | 0.348 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.1 | -29.8 | 171.9 | -82.5 | -6.9 | 0 | 0 | 0 | 114 | Q1455 I1474 N1476 | Q1455-N1478 PolarHBondContact NE2-OD1 3.41Å; Q1455-N1478 PolarHBondContact OE1-ND2 3.5Å; Q1455-N1478 PolarHBondContact OE1-OD1 3.06Å; I1474-N1478 WeakPolarHBondContact O-CB 3.49Å; I1474-N1478 PolarHBondContact O-N 3.24Å; N1476-N1478 PolarHBondContact O-N 3.29Å |
| 1479 | N | 43.8 | Very low | 43 | Very low | 64 Ų | 64 | 92 Ų | 92 | 34% | 0.342 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -77.3 | -41.2 | 173.1 | -68 | -47.7 | 0 | 0 | 0 | 111.3 | L1475 N1476 N1477 N1481 S1482 | L1475-N1479 PolarHBondContact O-N 3.3Å; L1475-N1479 PolarHBondContact O-ND2 2.92Å; N1476-N1479 WeakPolarHBondContact O-CA 3.45Å; N1476-N1479 WeakPolarHBondContact O-CB 3.22Å; N1476-N1479 PolarHBondContact O-N 3.09Å; N1477-N1479 VanDerWaalsContact C-N 3.31Å; N1477-N1479 PolarHBondContact O-N 3.31Å; N1479-N1481 VanDerWaalsContact C-N 3.29Å; N1479-N1481 PolarHBondContact O-N 3.47Å; N1479-S1482 WeakPolarHBondContact O-CB 3.42Å; N1479-S1482 PolarHBondContact O-N 3.03Å; N1479-S1482 PolarHBondContact O-OG 3.17Å |
| 1480 | N | 37.4 | Very low | 42.1 | Very low | 107 Ų | 107 | 92.3 Ų | 92.3 | 57% | 0.572 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64 | -30.9 | -176.7 | -68.3 | -15.6 | 0 | 0 | 0 | 113.2 | N1476 N1477 S1482 T1483 | N1476-N1480 PolarHBondContact O-N 3.48Å; N1477-N1480 PolarHBondContact O-N 3.17Å; N1480-S1482 PolarHBondContact O-N 3.37Å; N1480-T1483 PolarHBondContact O-OG1 3.33Å |
| 1481 | N | 37.4 | Very low | 40.7 | Very low | 149 Ų | 149 | 95.6 Ų | 95.6 | 80% | 0.797 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | 4.7 | 174.7 | -74.4 | -16.2 | 0 | 0 | 0 | 114.4 | N1477 N1479 | N1477-N1481 PolarHBondContact O-N 3.2Å; N1479-N1481 VanDerWaalsContact C-N 3.29Å; N1479-N1481 PolarHBondContact O-N 3.47Å |
| 1482 | S | 32.3 | Very low | 39.5 | Very low | 91 Ų | 91 | 100 Ų | 100 | 64% | 0.636 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.4 | -1 | 179.3 | 73.4 | 0 | 0 | 0 | 0 | 115.1 | N1479 N1480 | N1479-S1482 WeakPolarHBondContact O-CB 3.42Å; N1479-S1482 PolarHBondContact O-N 3.03Å; N1479-S1482 PolarHBondContact O-OG 3.17Å; N1480-S1482 PolarHBondContact O-N 3.37Å |
| 1483 | T | 26.7 | Very low | 38.2 | Very low | 104 Ų | 104 | 103.9 Ų | 103.9 | 64% | 0.638 | 58% | 0.575 | S | S | * | * | trans | -121.5 | 78.5 | -173.7 | 55.1 | 0 | 0 | 0 | 0 | 113.8 | N1480 | N1480-T1483 PolarHBondContact O-OG1 3.33Š| ||
| 1484 | N | 28.1 | Very low | 36.6 | Very low | 163 Ų | 163 | 105.6 Ų | 105.6 | 87% | 0.872 | 58% | 0.584 | S | S | * | * | trans | -160.5 | 128 | 147.5 | -103 | -31.3 | 0 | 0 | 0 | 110.9 | ||||
| 1485 | P | 29.1 | Very low | 35.3 | Very low | 123 Ų | 123 | 107.4 Ų | 107.4 | 80% | 0.799 | 59% | 0.594 | S | S | * | * | trans | -101.4 | 120.4 | -173 | 35.6 | -30.7 | 0 | 0 | 0 | 113.7 | ||||
| 1486 | I | 28.2 | Very low | 34.3 | Very low | 180 Ų | 180 | 108.7 Ų | 108.7 | 92% | 0.923 | 60% | 0.601 | S | S | * | * | trans | -130.8 | 151.7 | 161 | -63.7 | -174.9 | 0 | 0 | 0 | 109 | ||||
| 1487 | H | 27.9 | Very low | 33.5 | Very low | 172 Ų | 172 | 110.6 Ų | 110.6 | 80% | 0.796 | 61% | 0.611 | S | S | * | * | trans | -100.9 | 149.2 | -151.9 | -137.1 | -106.9 | 0 | 0 | 0 | 114.2 | ||||
| 1488 | S | 26.4 | Very low | 32.8 | Very low | 102 Ų | 102 | 107.2 Ų | 107.2 | 71% | 0.713 | 59% | 0.593 | S | S | * | * | trans | 62.9 | 144.9 | 164.2 | 38.7 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1489 | T | 30.1 | Very low | 32.4 | Very low | 125 Ų | 125 | 106 Ų | 106 | 77% | 0.767 | 59% | 0.587 | S | S | * | * | cis | -137.1 | 133.5 | 16.8 | -43.5 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1490 | I | 29.6 | Very low | 32.3 | Very low | 129 Ų | 129 | 107.5 Ų | 107.5 | 66% | 0.662 | 59% | 0.591 | S | S | * | * | trans | -22.7 | 141.6 | 154.7 | -8.8 | 176.6 | 0 | 0 | 0 | 113.3 | ||||
| 1491 | H | 28.8 | Very low | 32.9 | Very low | 130 Ų | 130 | 111.3 Ų | 111.3 | 60% | 0.602 | 60% | 0.598 | S | S | * | * | cis | -154 | 168.7 | 38.1 | -59.4 | -102 | 0 | 0 | 0 | 111.5 | ||||
| 1492 | T | 29 | Very low | 33.3 | Very low | 94 Ų | 94 | 111 Ų | 111 | 58% | 0.577 | 59% | 0.59 | S | S | * | * | cis | -158.2 | 178.2 | 12 | -14.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1493 | L | 31 | Very low | 33.9 | Very low | 124 Ų | 124 | 110.9 Ų | 110.9 | 65% | 0.649 | 58% | 0.579 | S | S | * | * | trans | 74.2 | 139.8 | 162.2 | -87.2 | 150.3 | 0 | 0 | 0 | 118.2 | R2190 | L1493-R2190 WeakPolarHBondContact O-CG 3.37Å; L1493-R2190 PolarHBondContact O-NE 2.96Å | ||
| 1494 | D | 28.2 | Very low | 35.1 | Very low | 103 Ų | 103 | 107.4 Ų | 107.4 | 55% | 0.551 | 56% | 0.558 | S | S | * | * | trans | -152.4 | 147.2 | -144.9 | -112.7 | 87.8 | 0 | 0 | 0 | 117.7 | R2190 | D1494-R2190 VanDerWaalsContact C-CG 3.47Å; D1494-R2190 VanDerWaalsContact CG-NH2 3.26Å; D1494-R2190 IonicContact OD1-CZ 2.77Å; D1494-R2190 IonicContact OD1-NE 3.09Å; D1494-R2190 IonicContact OD1-NH1 2.76Å; D1494-R2190 IonicContact OD1-NH2 2.63Å; D1494-R2190 PolarHBondContact OD1-NH2 3.23Å; D1494-R2190 IonicContact OD2-CZ 3.63Å; D1494-R2190 IonicContact OD2-NE 3.79Å; D1494-R2190 IonicContact OD2-NH1 2.74Å; D1494-R2190 PolarHBondContact OD2-NH1 3.43Å; D1494-R2190 IonicContact OD2-NH2 2.7Å; D1494-R2190 PolarHBondContact OD2-NH2 3.04Å | ||
| 1495 | N | 32.5 | Very low | 36.4 | Very low | 68 Ų | 68 | 104 Ų | 104 | 36% | 0.364 | 54% | 0.537 | S | S | . | . | trans | 123.8 | -40.1 | -164.1 | -93.6 | -42.1 | 0 | 0 | 0 | 118.9 | N1497 N1498 R2190 R2191 V2192 | N1495-N1497 PolarHBondContact O-N 2.85Å; N1495-N1498 PolarHBondContact O-N 3.26Å; N1495-N1498 VanDerWaalsContact O-N 3.1Å; N1495-N1498 PolarHBondContact O-ND2 3.06Å; N1495-N1498 PolarHBondContact OD1-ND2 2.98Å; N1495-R2190 HydrophobicContact CB-CB 4.01Å; N1495-R2191 CarbonylContact C-O 3.55Å; N1495-R2191 VanDerWaalsContact C-O 3.3Å; N1495-R2191 WeakPolarHBondContact CB-O 3.28Å; N1495-R2191 VanDerWaalsContact O-O 3.07Å; N1495-V2192 PolarHBondContact OD1-O 2.83Å | ||
| 1496 | D | 34.6 | Very low | 37.4 | Very low | 32 Ų | 32 | 102 Ų | 102 | 17% | 0.171 | 52% | 0.519 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | 141.8 | 165.1 | -78.6 | -25.5 | 0 | 0 | 0 | 105.9 | T2189 R2190 R2191 | D1496-T2189 WeakPolarHBondContact OD2-CA 3.39Å; D1496-R2190 VanDerWaalsContact CA-CD 3.49Å; D1496-R2190 HydrophobicContact CB-CB 4.17Å; D1496-R2190 HydrophobicContact CB-CG 3.8Å; D1496-R2190 WeakPolarHBondContact O-CD 3.39Å; D1496-R2190 PolarHBondContact O-NH1 3.27Å; D1496-R2190 WeakPolarHBondContact OD1-CA 3.11Å; D1496-R2190 WeakPolarHBondContact OD2-CA 3.46Å; D1496-R2190 PolarHBondContact OD2-N 3.47Å; D1496-R2191 WeakPolarHBondContact OD1-CB 3.01Å; D1496-R2191 VanDerWaalsContact OD1-CG 3.29Å; D1496-R2191 WeakPolarHBondContact OD1-CG 3.5Å; D1496-R2191 IonicContact OD1-CZ 2.72Å; D1496-R2191 PolarHBondContact OD1-N 2.71Å; D1496-R2191 IonicContact OD1-NE 3.6Å; D1496-R2191 PolarHBondContact OD1-NE 3.38Å; D1496-R2191 IonicContact OD1-NH1 3.11Å; D1496-R2191 PolarHBondContact OD1-NH1 3.47Å; D1496-R2191 IonicContact OD1-NH2 2.72Å; D1496-R2191 IonicContact OD2-NH1 3.75Å |
| 1497 | N | 38.9 | Very low | 38.3 | Very low | 100 Ų | 100 | 94.1 Ų | 94.1 | 54% | 0.535 | 48% | 0.478 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 99.4 | 0.4 | -159.5 | -53.4 | -31.1 | 0 | 0 | 0 | 114 | N1495 R2190 | N1495-N1497 PolarHBondContact O-N 2.85Å; N1497-R2190 PolarHBondContact ND2-NH1 2.74Å |
| 1498 | N | 39.4 | Very low | 39.7 | Very low | 27 Ų | 27 | 88.1 Ų | 88.1 | 14% | 0.144 | 45% | 0.45 | C | S | . | . | S | Bend | trans | -71.6 | -99 | 149.2 | -65.6 | -67.1 | 0 | 0 | 0 | 111 | N1495 Q1500 R1501 R2191 V2192 R2193 | N1495-N1498 PolarHBondContact O-N 3.26Å; N1495-N1498 VanDerWaalsContact O-N 3.1Å; N1495-N1498 PolarHBondContact O-ND2 3.06Å; N1495-N1498 PolarHBondContact OD1-ND2 2.98Å; N1498-Q1500 VanDerWaalsContact C-N 3.34Å; N1498-Q1500 PolarHBondContact O-N 3.2Å; N1498-R1501 WeakPolarHBondContact O-CB 3.34Å; N1498-R1501 PolarHBondContact O-N 2.69Å; N1498-R2191 PolarHBondContact ND2-O 3.22Å; N1498-V2192 HydrophobicContact CB-CB 4.24Å; N1498-V2192 HydrophobicContact CB-CG1 4.28Å; N1498-V2192 PolarHBondContact ND2-O 2.96Å; N1498-R2193 VanDerWaalsContact OD1-CZ 3.28Å; N1498-R2193 PolarHBondContact OD1-NE 3.46Å; N1498-R2193 PolarHBondContact OD1-NH2 3.22Å |
| 1499 | D | 40.7 | Very low | 40.9 | Very low | 40 Ų | 40 | 89.3 Ų | 89.3 | 21% | 0.214 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -74.4 | -10.8 | -149.1 | -41.3 | -91 | 0 | 0 | 0 | 117.5 | R1501 F1502 Q1503 R2191 V2192 | D1499-R1501 VanDerWaalsContact C-N 3.27Å; D1499-F1502 HydrophobicContact CB-CB 4.41Å; D1499-F1502 PolarHBondContact O-N 3.09Å; D1499-Q1503 WeakPolarHBondContact O-CB 3.5Å; D1499-Q1503 VanDerWaalsContact O-CG 3.27Å; D1499-Q1503 WeakPolarHBondContact O-CG 3.4Å; D1499-Q1503 PolarHBondContact O-N 3.43Å; D1499-R2191 WeakPolarHBondContact OD2-CB 3.45Å; D1499-V2192 WeakPolarHBondContact OD1-CG2 3.25Å; D1499-V2192 WeakPolarHBondContact OD2-CB 3.49Å; D1499-V2192 WeakPolarHBondContact OD2-CG2 3.41Å |
| 1500 | Q | 43.1 | Very low | 41.6 | Very low | 94 Ų | 94 | 87 Ų | 87 | 44% | 0.439 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -64.8 | -37.4 | 165.6 | -85.1 | 169.4 | -43.5 | 0 | 0 | 110.1 | N1498 V1504 | N1498-Q1500 VanDerWaalsContact C-N 3.34Å; N1498-Q1500 PolarHBondContact O-N 3.2Å; Q1500-V1504 VanDerWaalsContact O-CB 3.3Å; Q1500-V1504 WeakPolarHBondContact O-CB 3.42Å; Q1500-V1504 WeakPolarHBondContact O-CG2 3.36Å; Q1500-V1504 PolarHBondContact O-N 3.43Å |
| 1501 | R | 48.9 | Very low | 42.6 | Very low | 187 Ų | 187 | 81.2 Ų | 81.2 | 71% | 0.706 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -65.5 | -41.1 | 169.4 | -73.3 | -176.3 | 164.7 | 175.6 | -5.8 | 111.2 | N1498 D1499 Q1503 V1504 E1505 | N1498-R1501 WeakPolarHBondContact O-CB 3.34Å; N1498-R1501 PolarHBondContact O-N 2.69Å; D1499-R1501 VanDerWaalsContact C-N 3.27Å; R1501-Q1503 PolarHBondContact O-N 3.47Å; R1501-V1504 PolarHBondContact O-N 3.38Å; R1501-E1505 WeakPolarHBondContact O-CB 3.49Å; R1501-E1505 PolarHBondContact O-N 3.37Å |
| 1502 | F | 45.4 | Very low | 43.7 | Very low | 144 Ų | 144 | 80.5 Ų | 80.5 | 63% | 0.632 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -64.9 | -40 | 178 | -165.4 | -94.1 | 0 | 0 | 0 | 112.1 | D1499 L1506 | D1499-F1502 HydrophobicContact CB-CB 4.41Å; D1499-F1502 PolarHBondContact O-N 3.09Å; F1502-L1506 VanDerWaalsContact O-CB 3.24Å; F1502-L1506 WeakPolarHBondContact O-CB 3.48Å; F1502-L1506 PolarHBondContact O-N 3.36Å |
| 1503 | Q | 45.4 | Very low | 44.3 | Very low | 87 Ų | 87 | 79.9 Ų | 79.9 | 41% | 0.407 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -65 | -47.5 | 172.1 | -74.5 | 172.3 | -16.5 | 0 | 0 | 111.1 | N1456 D1499 R1501 E1505 L1506 M1507 | N1456-Q1503 PolarHBondContact ND2-OE1 3.3Å; D1499-Q1503 WeakPolarHBondContact O-CB 3.5Å; D1499-Q1503 VanDerWaalsContact O-CG 3.27Å; D1499-Q1503 WeakPolarHBondContact O-CG 3.4Å; D1499-Q1503 PolarHBondContact O-N 3.43Å; R1501-Q1503 PolarHBondContact O-N 3.47Å; Q1503-E1505 VanDerWaalsContact C-N 3.33Å; Q1503-E1505 PolarHBondContact O-N 3.35Å; Q1503-L1506 CarbonylContact O-C 3.55Å; Q1503-L1506 PolarHBondContact O-N 3.43Å; Q1503-M1507 HydrophobicContact CB-SD 4.38Å; Q1503-M1507 WeakPolarHBondContact O-CB 3.45Å; Q1503-M1507 WeakPolarHBondContact O-CG 3.45Å; Q1503-M1507 PolarHBondContact O-N 3.39Å |
| 1504 | V | 52.8 | Low | 44.7 | Very low | 32 Ų | 32 | 76.3 Ų | 76.3 | 19% | 0.194 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -60.3 | -39.5 | 176.3 | 165 | 0 | 0 | 0 | 0 | 112 | L1475 Q1500 R1501 M1507 K1508 | L1475-V1504 HydrophobicContact CD1-CG1 4.38Å; L1475-V1504 HydrophobicContact CD2-CG1 4.39Å; L1475-V1504 HydrophobicContact CG-CG1 4.39Å; Q1500-V1504 VanDerWaalsContact O-CB 3.3Å; Q1500-V1504 WeakPolarHBondContact O-CB 3.42Å; Q1500-V1504 WeakPolarHBondContact O-CG2 3.36Å; Q1500-V1504 PolarHBondContact O-N 3.43Å; R1501-V1504 PolarHBondContact O-N 3.38Å; V1504-M1507 HydrophobicContact CG2-CE 4.23Å; V1504-M1507 WeakPolarHBondContact O-CB 3.49Å; V1504-M1507 PolarHBondContact O-N 3.03Å; V1504-K1508 WeakPolarHBondContact O-CG 3.48Å; V1504-K1508 PolarHBondContact O-N 3.21Å |
| 1505 | E | 55.3 | Low | 45.2 | Very low | 91 Ų | 91 | 74.5 Ų | 74.5 | 43% | 0.425 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -74.1 | -36.5 | 177.3 | -127.2 | 61.8 | -158.5 | 0 | 0 | 112.2 | R1501 Q1503 M1507 K1508 Q1509 | R1501-E1505 WeakPolarHBondContact O-CB 3.49Å; R1501-E1505 PolarHBondContact O-N 3.37Å; Q1503-E1505 VanDerWaalsContact C-N 3.33Å; Q1503-E1505 PolarHBondContact O-N 3.35Å; E1505-M1507 VanDerWaalsContact C-N 3.3Å; E1505-M1507 PolarHBondContact O-N 3.08Å; E1505-K1508 HydrophobicContact CG-CD 4.5Å; E1505-K1508 PolarHBondContact O-N 3.04Å; E1505-K1508 VanDerWaalsContact OE1-CD 3.3Å; E1505-K1508 WeakPolarHBondContact OE1-CD 3.35Å; E1505-K1508 IonicContact OE1-NZ 3.56Å; E1505-K1508 PolarHBondContact OE1-NZ 3.35Å; E1505-K1508 IonicContact OE2-NZ 3.65Å; E1505-K1508 PolarHBondContact OE2-NZ 3.28Å; E1505-Q1509 WeakPolarHBondContact O-CB 3.07Å; E1505-Q1509 VanDerWaalsContact O-CG 3.3Å; E1505-Q1509 WeakPolarHBondContact O-CG 3.18Å; E1505-Q1509 PolarHBondContact O-N 2.96Å |
| 1506 | L | 48.4 | Very low | 45.1 | Very low | 82 Ų | 82 | 76.7 Ų | 76.7 | 43% | 0.429 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -64.9 | -35.4 | 170.3 | -166.9 | 77.4 | 0 | 0 | 0 | 111.6 | F1502 Q1503 Q1509 L1510 | F1502-L1506 VanDerWaalsContact O-CB 3.24Å; F1502-L1506 WeakPolarHBondContact O-CB 3.48Å; F1502-L1506 PolarHBondContact O-N 3.36Å; Q1503-L1506 CarbonylContact O-C 3.55Å; Q1503-L1506 PolarHBondContact O-N 3.43Å; L1506-Q1509 PolarHBondContact O-N 2.84Å; L1506-L1510 WeakPolarHBondContact O-CB 3.48Å; L1506-L1510 WeakPolarHBondContact O-CG 3.19Å; L1506-L1510 PolarHBondContact O-N 3.3Å |
| 1507 | M | 48.2 | Very low | 44.9 | Very low | 14 Ų | 14 | 82.4 Ų | 82.4 | 7% | 0.069 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -69.6 | -41.9 | 176 | -77.7 | 164.6 | 32.3 | 0 | 0 | 111.7 | F1459 L1475 Q1503 V1504 E1505 L1510 I1511 | F1459-M1507 HydrophobicContact CB-CE 4.27Å; F1459-M1507 HydrophobicContact CD1-CB 4.31Å; F1459-M1507 HydrophobicContact CD1-CE 3.6Å; F1459-M1507 HydrophobicContact CD1-CG 3.79Å; F1459-M1507 HydrophobicContact CD1-SD 3.87Å; F1459-M1507 HydrophobicContact CD2-CE 3.78Å; F1459-M1507 HydrophobicContact CE1-CB 3.49Å; F1459-M1507 VanDerWaalsContact CE1-CB 3.49Å; F1459-M1507 HydrophobicContact CE1-CE 3.77Å; F1459-M1507 HydrophobicContact CE1-CG 3.36Å; F1459-M1507 HydrophobicContact CE1-SD 4.03Å; F1459-M1507 HydrophobicContact CE2-CB 4.49Å; F1459-M1507 HydrophobicContact CE2-CE 3.93Å; F1459-M1507 HydrophobicContact CG-CE 3.6Å; F1459-M1507 HydrophobicContact CG-SD 4.39Å; F1459-M1507 HydrophobicContact CZ-CB 3.59Å; F1459-M1507 HydrophobicContact CZ-CE 3.92Å; F1459-M1507 HydrophobicContact CZ-CG 4.01Å; L1475-M1507 HydrophobicContact CD1-CB 4.19Å; L1475-M1507 HydrophobicContact CD1-CE 3.88Å; Q1503-M1507 HydrophobicContact CB-SD 4.38Å; Q1503-M1507 WeakPolarHBondContact O-CB 3.45Å; Q1503-M1507 WeakPolarHBondContact O-CG 3.45Å; Q1503-M1507 PolarHBondContact O-N 3.39Å; V1504-M1507 HydrophobicContact CG2-CE 4.23Å; V1504-M1507 WeakPolarHBondContact O-CB 3.49Å; V1504-M1507 PolarHBondContact O-N 3.03Å; E1505-M1507 VanDerWaalsContact C-N 3.3Å; E1505-M1507 PolarHBondContact O-N 3.08Å; M1507-L1510 PolarHBondContact O-N 3.47Å; M1507-I1511 PolarHBondContact O-N 3.42Å |
| 1508 | K | 56.1 | Low | 44.5 | Very low | 45 Ų | 45 | 84 Ų | 84 | 20% | 0.196 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -60.5 | -45.7 | 168.3 | -73.6 | 168.3 | -177.5 | 164.7 | 0 | 111.3 | L1475 V1504 E1505 L1510 I1511 H1512 | L1475-K1508 HydrophobicContact CD1-CG 4.26Å; L1475-K1508 HydrophobicContact CD2-CD 4.37Å; L1475-K1508 HydrophobicContact CD2-CG 3.75Å; V1504-K1508 WeakPolarHBondContact O-CG 3.48Å; V1504-K1508 PolarHBondContact O-N 3.21Å; E1505-K1508 HydrophobicContact CG-CD 4.5Å; E1505-K1508 PolarHBondContact O-N 3.04Å; E1505-K1508 VanDerWaalsContact OE1-CD 3.3Å; E1505-K1508 WeakPolarHBondContact OE1-CD 3.35Å; E1505-K1508 IonicContact OE1-NZ 3.56Å; E1505-K1508 PolarHBondContact OE1-NZ 3.35Å; E1505-K1508 IonicContact OE2-NZ 3.65Å; E1505-K1508 PolarHBondContact OE2-NZ 3.28Å; K1508-L1510 VanDerWaalsContact C-N 3.34Å; K1508-L1510 PolarHBondContact O-N 3.46Å; K1508-I1511 PolarHBondContact O-N 3.31Å; K1508-H1512 WeakPolarHBondContact O-CB 3.19Å; K1508-H1512 PolarHBondContact O-CD2 3.25Å; K1508-H1512 VanDerWaalsContact O-CD2 3.29Å; K1508-H1512 PolarHBondContact O-N 2.85Å |
| 1509 | Q | 52 | Low | 44 | Very low | 128 Ų | 128 | 90.1 Ų | 90.1 | 60% | 0.598 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -62.3 | -40.2 | 177.8 | -76.8 | 176.7 | -6 | 0 | 0 | 111.9 | E1505 L1506 S1513 | E1505-Q1509 WeakPolarHBondContact O-CB 3.07Å; E1505-Q1509 VanDerWaalsContact O-CG 3.3Å; E1505-Q1509 WeakPolarHBondContact O-CG 3.18Å; E1505-Q1509 PolarHBondContact O-N 2.96Å; L1506-Q1509 PolarHBondContact O-N 2.84Å; Q1509-S1513 WeakPolarHBondContact O-CB 3.43Å; Q1509-S1513 PolarHBondContact O-N 3.19Å; Q1509-S1513 PolarHBondContact O-OG 3.38Å |
| 1510 | L | 46.1 | Very low | 43.4 | Very low | 77 Ų | 77 | 94.9 Ų | 94.9 | 40% | 0.403 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62 | -51.2 | 172.8 | -85.7 | 162.1 | 0 | 0 | 0 | 111.6 | L1506 M1507 K1508 H1512 S1513 C1514 | L1506-L1510 WeakPolarHBondContact O-CB 3.48Å; L1506-L1510 WeakPolarHBondContact O-CG 3.19Å; L1506-L1510 PolarHBondContact O-N 3.3Å; M1507-L1510 PolarHBondContact O-N 3.47Å; K1508-L1510 VanDerWaalsContact C-N 3.34Å; K1508-L1510 PolarHBondContact O-N 3.46Å; L1510-H1512 PolarHBondContact O-N 3.14Å; L1510-S1513 PolarHBondContact O-N 3.23Å; L1510-S1513 VanDerWaalsContact O-N 3.09Å; L1510-S1513 PolarHBondContact O-OG 3.49Å; L1510-C1514 PolarHBondContact O-N 3.43Å; L1510-C1514 PolarHBondContact O-SG 3.28Å; L1510-C1514 VanDerWaalsContact O-SG 3.33Å |
| 1511 | I | 48.8 | Very low | 42.6 | Very low | 7 Ų | 7 | 97.4 Ų | 97.4 | 4% | 0.036 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -59 | -45 | 176.6 | -73.4 | -174.9 | 0 | 0 | 0 | 111.4 | F1459 I1463 A1471 M1472 M1507 K1508 S1513 C1514 L1515 | F1459-I1511 HydrophobicContact CE2-CD1 3.6Å; F1459-I1511 HydrophobicContact CZ-CD1 3.41Å; F1459-I1511 VanDerWaalsContact CZ-CD1 3.41Å; F1459-I1511 HydrophobicContact CZ-CG1 3.94Å; I1463-I1511 HydrophobicContact CD1-CG1 4.01Å; A1471-I1511 HydrophobicContact CB-CD1 3.97Å; M1472-I1511 HydrophobicContact SD-CD1 4.41Å; M1472-I1511 HydrophobicContact SD-CG2 4.14Å; M1507-I1511 PolarHBondContact O-N 3.42Å; K1508-I1511 PolarHBondContact O-N 3.31Å; I1511-S1513 VanDerWaalsContact C-N 3.3Å; I1511-S1513 PolarHBondContact O-N 3.35Å; I1511-C1514 CarbonylContact O-C 3.54Å; I1511-C1514 PolarHBondContact O-N 3.32Å; I1511-L1515 HydrophobicContact CG2-CD1 4.02Å; I1511-L1515 WeakPolarHBondContact O-CD1 3.42Å; I1511-L1515 PolarHBondContact O-N 2.87Å; I1511-L1515 VanDerWaalsContact O-N 3.09Å |
| 1512 | H | 51.9 | Low | 41.6 | Very low | 115 Ų | 115 | 97 Ų | 97 | 53% | 0.532 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.7 | -33.9 | 175.4 | -84.3 | -65.3 | 0 | 0 | 0 | 113 | K1508 L1510 C1514 | K1508-H1512 WeakPolarHBondContact O-CB 3.19Å; K1508-H1512 PolarHBondContact O-CD2 3.25Å; K1508-H1512 VanDerWaalsContact O-CD2 3.29Å; K1508-H1512 PolarHBondContact O-N 2.85Å; L1510-H1512 PolarHBondContact O-N 3.14Å; H1512-C1514 VanDerWaalsContact C-N 3.28Å; H1512-C1514 PolarHBondContact O-N 3.24Å |
| 1513 | S | 43.4 | Very low | 40.7 | Very low | 81 Ų | 81 | 96.7 Ų | 96.7 | 57% | 0.566 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -71.9 | -21.9 | 173.3 | 74.8 | 0 | 0 | 0 | 0 | 113.5 | Q1509 L1510 I1511 | Q1509-S1513 WeakPolarHBondContact O-CB 3.43Å; Q1509-S1513 PolarHBondContact O-N 3.19Å; Q1509-S1513 PolarHBondContact O-OG 3.38Å; L1510-S1513 PolarHBondContact O-N 3.23Å; L1510-S1513 VanDerWaalsContact O-N 3.09Å; L1510-S1513 PolarHBondContact O-OG 3.49Å; I1511-S1513 VanDerWaalsContact C-N 3.3Å; I1511-S1513 PolarHBondContact O-N 3.35Å |
| 1514 | C | 38.6 | Very low | 39.8 | Very low | 49 Ų | 49 | 100 Ų | 100 | 33% | 0.331 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -93.5 | -7.1 | 178 | -65.8 | 0 | 0 | 0 | 0 | 114.2 | Y1468 L1510 I1511 H1512 P1516 | Y1468-C1514 HydrophobicContact CD1-CB 4.37Å; Y1468-C1514 HydrophobicContact CE1-CB 3.83Å; L1510-C1514 PolarHBondContact O-N 3.43Å; L1510-C1514 PolarHBondContact O-SG 3.28Å; L1510-C1514 VanDerWaalsContact O-SG 3.33Å; I1511-C1514 CarbonylContact O-C 3.54Å; I1511-C1514 PolarHBondContact O-N 3.32Å; H1512-C1514 VanDerWaalsContact C-N 3.28Å; H1512-C1514 PolarHBondContact O-N 3.24Å; C1514-P1516 WeakPolarHBondContact O-CD 3.48Å |
| 1515 | L | 39.3 | Very low | 38.5 | Very low | 64 Ų | 64 | 106.4 Ų | 106.4 | 34% | 0.335 | 56% | 0.556 | S | S | . | * | trans | -112.6 | 68.2 | 172.9 | -85.5 | 81.2 | 0 | 0 | 0 | 112.6 | Y1468 I1511 L1517 L1518 | Y1468-L1515 HydrophobicContact CD2-CD1 4.19Å; Y1468-L1515 HydrophobicContact CG-CD1 3.93Å; I1511-L1515 HydrophobicContact CG2-CD1 4.02Å; I1511-L1515 WeakPolarHBondContact O-CD1 3.42Å; I1511-L1515 PolarHBondContact O-N 2.87Å; I1511-L1515 VanDerWaalsContact O-N 3.09Å; L1515-L1517 PolarHBondContact O-N 3.4Å; L1515-L1518 HydrophobicContact CD2-CD1 4.08Å | ||
| 1516 | P | 30.5 | Very low | 37.2 | Very low | 115 Ų | 115 | 111 Ų | 111 | 75% | 0.747 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | 52.7 | -179.5 | 36.6 | -39.3 | 0 | 0 | 0 | 113.3 | C1514 | C1514-P1516 WeakPolarHBondContact O-CD 3.48Š|
| 1517 | L | 29.5 | Very low | 36.1 | Very low | 152 Ų | 152 | 112.6 Ų | 112.6 | 80% | 0.796 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -152.1 | -3.4 | 176.5 | -113.8 | 174.4 | 0 | 0 | 0 | 117 | L1515 | L1515-L1517 PolarHBondContact O-N 3.4Š|
| 1518 | L | 30 | Very low | 35.1 | Very low | 132 Ų | 132 | 116.6 Ų | 116.6 | 69% | 0.691 | 63% | 0.628 | S | S | * | * | trans | -103.4 | 103.9 | -179.2 | -72.3 | 175.8 | 0 | 0 | 0 | 112.5 | L1515 L1520 | L1515-L1518 HydrophobicContact CD2-CD1 4.08Å; L1518-L1520 PolarHBondContact O-N 3.1Å | ||
| 1519 | N | 29.8 | Very low | 34 | Very low | 156 Ų | 156 | 119.5 Ų | 119.5 | 83% | 0.834 | 65% | 0.651 | S | S | * | * | trans | -87.1 | 101.3 | 171.6 | -167.4 | 8.7 | 0 | 0 | 0 | 110.1 | N1521 | N1519-N1521 PolarHBondContact O-N 3.14Š| ||
| 1520 | L | 28 | Very low | 32.8 | Very low | 140 Ų | 140 | 119.9 Ų | 119.9 | 73% | 0.733 | 66% | 0.657 | S | S | * | * | trans | -69.4 | 93.2 | -178.7 | -79.6 | 148.6 | 0 | 0 | 0 | 111.8 | L1518 | L1518-L1520 PolarHBondContact O-N 3.1Š| ||
| 1521 | N | 26.9 | Very low | 32 | Very low | 148 Ų | 148 | 121.1 Ų | 121.1 | 79% | 0.791 | 66% | 0.664 | S | S | * | * | trans | -166.8 | 53.8 | 165.1 | -103.7 | -42.9 | 0 | 0 | 0 | 115.4 | N1519 | N1519-N1521 PolarHBondContact O-N 3.14Š| ||
| 1522 | E | 26.4 | Very low | 31.1 | Very low | 178 Ų | 178 | 128.5 Ų | 128.5 | 83% | 0.832 | 70% | 0.698 | S | S | * | * | trans | -152.9 | 134.8 | 160.4 | -122.1 | 157 | -135.6 | 0 | 0 | 112.7 | ||||
| 1523 | L | 27.4 | Very low | 30 | Very low | 138 Ų | 138 | 130.7 Ų | 130.7 | 72% | 0.723 | 71% | 0.706 | S | S | * | * | trans | 30.3 | 118.3 | 159.2 | -61.2 | 160.8 | 0 | 0 | 0 | 117.9 | ||||
| 1524 | N | 25.3 | Very low | 29.4 | Very low | 156 Ų | 156 | 133.4 Ų | 133.4 | 83% | 0.834 | 71% | 0.708 | S | S | * | * | cis | 56.1 | 40.5 | 23.9 | -124.2 | 13.7 | 0 | 0 | 0 | 114.9 | ||||
| 1525 | H | 27.1 | Very low | 29 | Very low | 167 Ų | 167 | 134.3 Ų | 134.3 | 77% | 0.773 | 72% | 0.719 | S | S | * | * | trans | -167 | 123.4 | 143.3 | -94.5 | -55.1 | 0 | 0 | 0 | 113.9 | ||||
| 1526 | K | 27.1 | Very low | 28.4 | Very low | 186 Ų | 186 | 137.5 Ų | 137.5 | 81% | 0.809 | 74% | 0.736 | S | S | * | * | trans | 33.4 | 103.8 | 153 | -66.6 | -173.1 | 175.3 | -176.7 | 0 | 121.5 | ||||
| 1527 | S | 25.6 | Very low | 28.4 | Very low | 116 Ų | 116 | 135.9 Ų | 135.9 | 81% | 0.811 | 73% | 0.732 | S | S | * | * | 66.4 | 141.2 | 128.9 | 60.5 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 1528 | A | 26.3 | Very low | 28.3 | Very low | 99 Ų | 99 | 134.2 Ų | 134.2 | 82% | 0.818 | 72% | 0.723 | S | S | * | * | trans | 86.8 | 148.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1529 | P | 34.1 | Very low | 28 | Very low | 105 Ų | 105 | 135.4 Ų | 135.4 | 68% | 0.682 | 73% | 0.725 | S | S | * | * | -133.2 | 137.4 | -86.2 | 31.7 | -13.4 | 0 | 0 | 0 | 117.4 | D1531 | P1529-D1531 VanDerWaalsContact C-N 3.33Å; P1529-D1531 PolarHBondContact O-N 2.94Å | |||
| 1530 | L | 27.7 | Very low | 27.8 | Very low | 137 Ų | 137 | 139.3 Ų | 139.3 | 72% | 0.717 | 73% | 0.73 | S | S | * | * | trans | 48 | -38.3 | 137.4 | -160.9 | 57.7 | 0 | 0 | 0 | 123.2 | H1532 F1533 | L1530-H1532 PolarHBondContact O-N 3.18Å; L1530-F1533 PolarHBondContact O-N 3.05Å | ||
| 1531 | D | 29 | Very low | 27.7 | Very low | 103 Ų | 103 | 138.2 Ų | 138.2 | 55% | 0.551 | 73% | 0.729 | S | S | * | * | G | 310 helix | trans | -74.4 | -21 | -160.2 | -76.5 | -52.8 | 0 | 0 | 0 | 115.6 | P1529 F1533 K1534 | P1529-D1531 VanDerWaalsContact C-N 3.33Å; P1529-D1531 PolarHBondContact O-N 2.94Å; D1531-F1533 PolarHBondContact O-N 2.8Å; D1531-K1534 PolarHBondContact O-N 3.31Å; D1531-K1534 IonicContact OD1-NZ 2.71Å; D1531-K1534 PolarHBondContact OD1-NZ 2.69Å; D1531-K1534 VanDerWaalsContact OD1-NZ 3.16Å |
| 1532 | H | 28.2 | Very low | 27.7 | Very low | 161 Ų | 161 | 138.3 Ų | 138.3 | 75% | 0.745 | 73% | 0.73 | S | S | * | * | G | 310 helix | trans | -67.6 | -19.6 | 176.9 | -153.4 | 73.2 | 0 | 0 | 0 | 113.4 | L1530 | L1530-H1532 PolarHBondContact O-N 3.18Š|
| 1533 | F | 30.4 | Very low | 27.5 | Very low | 161 Ų | 161 | 137.6 Ų | 137.6 | 71% | 0.706 | 73% | 0.731 | S | S | * | * | G | 310 helix | trans | -85.3 | -9.9 | -176.9 | -75.5 | -80.9 | 0 | 0 | 0 | 114.8 | L1530 D1531 A1535 | L1530-F1533 PolarHBondContact O-N 3.05Å; D1531-F1533 PolarHBondContact O-N 2.8Å; F1533-A1535 VanDerWaalsContact C-N 3.33Å |
| 1534 | K | 29.7 | Very low | 27.2 | Very low | 139 Ų | 139 | 138.3 Ų | 138.3 | 60% | 0.604 | 74% | 0.735 | S | S | * | * | G | 310 helix | trans | -72.5 | -24.6 | 173 | -77.8 | 174 | -176 | 151.3 | 0 | 113.3 | D1531 | D1531-K1534 PolarHBondContact O-N 3.31Å; D1531-K1534 IonicContact OD1-NZ 2.71Å; D1531-K1534 PolarHBondContact OD1-NZ 2.69Å; D1531-K1534 VanDerWaalsContact OD1-NZ 3.16Å |
| 1535 | A | 30.4 | Very low | 27.2 | Very low | 68 Ų | 68 | 137.3 Ų | 137.3 | 56% | 0.562 | 73% | 0.73 | S | S | * | * | G | 310 helix | trans | -68.9 | -41.7 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | F1533 A1537 | F1533-A1535 VanDerWaalsContact C-N 3.33Å; A1535-A1537 VanDerWaalsContact C-N 3.34Å; A1535-A1537 PolarHBondContact O-N 3.04Å |
| 1536 | L | 27.2 | Very low | 27.1 | Very low | 131 Ų | 131 | 136.6 Ų | 136.6 | 69% | 0.686 | 72% | 0.721 | S | S | * | * | G | 310 helix | trans | -81.9 | -6 | -172.4 | -74.1 | 165.1 | 0 | 0 | 0 | 114.7 | ||
| 1537 | A | 31 | Very low | 27 | Very low | 81 Ų | 81 | 137.2 Ų | 137.2 | 67% | 0.669 | 73% | 0.727 | S | S | * | * | G | 310 helix | trans | -88.5 | -10.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | A1535 | A1535-A1537 VanDerWaalsContact C-N 3.34Å; A1535-A1537 PolarHBondContact O-N 3.04Å |
| 1538 | N | 26 | Very low | 26.9 | Very low | 116 Ų | 116 | 136.7 Ų | 136.7 | 62% | 0.62 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -100.6 | -15.3 | -173.1 | -74 | -4.1 | 0 | 0 | 0 | 114.3 | Y1540 V1541 | N1538-Y1540 PolarHBondContact O-N 3.09Å; N1538-V1541 PolarHBondContact O-N 3.11Å |
| 1539 | E | 25.1 | Very low | 26.8 | Very low | 157 Ų | 157 | 139.2 Ų | 139.2 | 73% | 0.734 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.3 | 58.9 | 178.4 | -67.7 | -162.5 | 137.3 | 0 | 0 | 113.1 | ||
| 1540 | Y | 26 | Very low | 26.4 | Very low | 239 Ų | 239 | 139.4 Ų | 139.4 | 94% | 0.937 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -168 | 15.7 | 150 | -100.3 | -57.7 | 0 | 0 | 0 | 113.8 | N1538 | N1538-Y1540 PolarHBondContact O-N 3.09Š|
| 1541 | V | 25.6 | Very low | 26.3 | Very low | 117 Ų | 117 | 141.2 Ų | 141.2 | 71% | 0.709 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -78.6 | 150.7 | 161 | -178.8 | 0 | 0 | 0 | 0 | 108.6 | N1538 L1543 | N1538-V1541 PolarHBondContact O-N 3.11Å; V1541-L1543 PolarHBondContact O-N 3.39Å |
| 1542 | N | 25.3 | Very low | 26.2 | Very low | 150 Ų | 150 | 141.9 Ų | 141.9 | 80% | 0.802 | 74% | 0.741 | S | S | * | * | trans | -55.5 | 136.2 | 176.9 | -98.6 | -10.4 | 0 | 0 | 0 | 111.4 | D1544 | N1542-D1544 VanDerWaalsContact C-N 3.28Å; N1542-D1544 PolarHBondContact O-N 2.81Å; N1542-D1544 VanDerWaalsContact O-N 3.1Å | ||
| 1543 | L | 22.6 | Very low | 26 | Very low | 162 Ų | 162 | 139.7 Ų | 139.7 | 85% | 0.848 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -70.3 | 96.7 | 147.7 | -92.4 | 73.2 | 0 | 0 | 0 | 106.7 | V1541 | V1541-L1543 PolarHBondContact O-N 3.39Š|
| 1544 | D | 22.5 | Very low | 25.7 | Very low | 154 Ų | 154 | 136.3 Ų | 136.3 | 82% | 0.824 | 74% | 0.74 | S | S | * | * | trans | 173.2 | 71 | 139.2 | -84.4 | -20.3 | 0 | 0 | 0 | 107.8 | N1542 | N1542-D1544 VanDerWaalsContact C-N 3.28Å; N1542-D1544 PolarHBondContact O-N 2.81Å; N1542-D1544 VanDerWaalsContact O-N 3.1Å | ||
| 1545 | D | 24.6 | Very low | 25.4 | Very low | 135 Ų | 135 | 139 Ų | 139 | 72% | 0.722 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -159.4 | 148.1 | 148.8 | -134.5 | -15.6 | 0 | 0 | 0 | 113.7 | ||
| 1546 | Y | 25.6 | Very low | 25.1 | Very low | 151 Ų | 151 | 142.3 Ų | 142.3 | 59% | 0.592 | 76% | 0.759 | S | S | * | * | trans | 50 | 92.5 | 176.5 | -64.4 | -78.8 | 0 | 0 | 0 | 119.7 | ||||
| 1547 | Q | 24.3 | Very low | 25.1 | Very low | 199 Ų | 199 | 144 Ų | 144 | 93% | 0.93 | 76% | 0.763 | S | S | * | * | trans | -129.8 | 62.7 | 145.7 | -155.9 | 177.3 | 21.3 | 0 | 0 | 112.9 | ||||
| 1548 | T | 24 | Very low | 24.8 | Very low | 105 Ų | 105 | 150.3 Ų | 150.3 | 64% | 0.644 | 77% | 0.769 | S | S | * | * | trans | -146.3 | 133.1 | 157.6 | 45.5 | 0 | 0 | 0 | 0 | 107 | ||||
| 1549 | N | 24.5 | Very low | 24.7 | Very low | 152 Ų | 152 | 152.6 Ų | 152.6 | 81% | 0.813 | 78% | 0.776 | S | S | * | * | cis | -139.3 | 153.7 | -6.6 | -70.8 | -44.2 | 0 | 0 | 0 | 110.5 | ||||
| 1550 | S | 25.4 | Very low | 24.9 | Very low | 110 Ų | 110 | 153 Ų | 153 | 77% | 0.769 | 78% | 0.777 | S | S | * | * | trans | -114.3 | 145.1 | 140.1 | 58.9 | 0 | 0 | 0 | 0 | 106 | ||||
| 1551 | E | 24.9 | Very low | 24.9 | Very low | 175 Ų | 175 | 150 Ų | 150 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | cis | -130.1 | 157.4 | 12.6 | -62.3 | 166.4 | 145.2 | 0 | 0 | 108.1 | ||||
| 1552 | S | 26.6 | Very low | 24.9 | Very low | 117 Ų | 117 | 149.4 Ų | 149.4 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | -168.2 | 164.4 | 69.1 | -65.6 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 1553 | S | 23.8 | Very low | 24.8 | Very low | 115 Ų | 115 | 148.7 Ų | 148.7 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | trans | -70.5 | 171.8 | 176.5 | 60.3 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1554 | S | 23.9 | Very low | 25.1 | Very low | 90 Ų | 90 | 148.6 Ų | 148.6 | 63% | 0.629 | 77% | 0.765 | S | S | * | * | cis | -167.8 | 167 | 32 | 72.3 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1555 | F | 24.7 | Very low | 25.3 | Very low | 196 Ų | 196 | 148.4 Ų | 148.4 | 86% | 0.86 | 76% | 0.764 | S | S | * | * | trans | 73.4 | 166.8 | 148.6 | -80.3 | -62.6 | 0 | 0 | 0 | 123.6 | ||||
| 1556 | I | 23.5 | Very low | 25.5 | Very low | 137 Ų | 137 | 149.8 Ų | 149.8 | 70% | 0.703 | 77% | 0.771 | S | S | * | * | trans | -142.5 | 157.6 | -152.3 | -70 | 173.3 | 0 | 0 | 0 | 109.3 | ||||
| 1557 | H | 27.2 | Very low | 25.6 | Very low | 167 Ų | 167 | 149.7 Ų | 149.7 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | trans | 73.1 | 105.7 | 173.1 | -72.8 | -47.3 | 0 | 0 | 0 | 117.2 | ||||
| 1558 | R | 23.9 | Very low | 25.8 | Very low | 213 Ų | 213 | 146.9 Ų | 146.9 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | 76 | 92.6 | 68.5 | -170 | -168.2 | -101.8 | -159.2 | -3.6 | 114.9 | |||||
| 1559 | H | 25 | Very low | 25.8 | Very low | 163 Ų | 163 | 149.5 Ų | 149.5 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | trans | 77.2 | 144 | 145.2 | -76.5 | -60.2 | 0 | 0 | 0 | 123.6 | ||||
| 1560 | H | 28.9 | Very low | 25.8 | Very low | 166 Ų | 166 | 149.5 Ų | 149.5 | 77% | 0.769 | 77% | 0.771 | S | S | * | * | trans | 92.9 | 70.1 | 153.2 | -73.5 | -61.8 | 0 | 0 | 0 | 122 | ||||
| 1561 | H | 26.4 | Very low | 26 | Very low | 175 Ų | 175 | 152.9 Ų | 152.9 | 81% | 0.81 | 78% | 0.775 | S | S | * | * | 49.3 | 133.3 | 109.3 | -113.6 | -51.2 | 0 | 0 | 0 | 122.9 | |||||
| 1562 | V | 25.5 | Very low | 25.8 | Very low | 105 Ų | 105 | 151.5 Ų | 151.5 | 64% | 0.636 | 77% | 0.772 | S | S | * | * | trans | 87.8 | 102.1 | 152.9 | -174.5 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1563 | D | 24.3 | Very low | 25.8 | Very low | 135 Ų | 135 | 154.9 Ų | 154.9 | 72% | 0.722 | 77% | 0.773 | S | S | * | * | trans | 49.8 | 122.5 | 130.7 | -41.6 | -8.4 | 0 | 0 | 0 | 121.1 | ||||
| 1564 | D | 28.3 | Very low | 25.9 | Very low | 161 Ų | 161 | 154.6 Ų | 154.6 | 86% | 0.861 | 77% | 0.766 | S | S | * | * | -170.9 | 175.4 | 104.1 | -91.5 | -18 | 0 | 0 | 0 | 110.7 | |||||
| 1565 | D | 25.8 | Very low | 26.1 | Very low | 150 Ų | 150 | 158.7 Ų | 158.7 | 80% | 0.802 | 78% | 0.775 | S | S | * | * | trans | -77.5 | 154.6 | -168.5 | -55.8 | -67.7 | 0 | 0 | 0 | 116.2 | ||||
| 1566 | D | 29.1 | Very low | 26.2 | Very low | 164 Ų | 164 | 154 Ų | 154 | 88% | 0.877 | 77% | 0.766 | S | S | * | * | 178.8 | 157.9 | 127.9 | -99.5 | -19.1 | 0 | 0 | 0 | 113.2 | |||||
| 1567 | D | 27.8 | Very low | 26.3 | Very low | 149 Ų | 149 | 157 Ų | 157 | 80% | 0.797 | 78% | 0.777 | S | S | * | * | trans | -90.3 | 176.3 | -157.3 | -78.6 | -51.2 | 0 | 0 | 0 | 119.5 | ||||
| 1568 | D | 28.8 | Very low | 26.1 | Very low | 139 Ų | 139 | 154 Ų | 154 | 74% | 0.743 | 78% | 0.776 | S | S | * | * | trans | 77.8 | 92.6 | 145.9 | -78.9 | -17.7 | 0 | 0 | 0 | 124.6 | ||||
| 1569 | Q | 24.5 | Very low | 26.1 | Very low | 160 Ų | 160 | 148.4 Ų | 148.4 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | 38.2 | 132.7 | 117.7 | -62.1 | -164 | 13.7 | 0 | 0 | 124.8 | |||||
| 1570 | H | 24.6 | Very low | 25.9 | Very low | 152 Ų | 152 | 148.3 Ų | 148.3 | 70% | 0.704 | 77% | 0.773 | S | S | * | * | trans | 55.8 | 109.9 | 142 | -68.6 | -59.4 | 0 | 0 | 0 | 122.3 | ||||
| 1571 | H | 27.7 | Very low | 26.2 | Very low | 181 Ų | 181 | 145.2 Ų | 145.2 | 84% | 0.838 | 77% | 0.768 | S | S | * | * | 179.3 | 169.1 | 99.2 | -102.8 | -75.9 | 0 | 0 | 0 | 114.3 | |||||
| 1572 | L | 21.7 | Very low | 26.1 | Very low | 146 Ų | 146 | 141.8 Ų | 141.8 | 76% | 0.764 | 76% | 0.764 | S | S | * | * | trans | -71.9 | 151 | 177.4 | -82.2 | 63.5 | 0 | 0 | 0 | 113.4 | ||||
| 1573 | F | 25.9 | Very low | 26 | Very low | 189 Ų | 189 | 145.1 Ų | 145.1 | 83% | 0.829 | 77% | 0.772 | S | S | * | * | -177.1 | 146.2 | 116.2 | -111 | -68.6 | 0 | 0 | 0 | 115.2 | |||||
| 1574 | T | 26.1 | Very low | 26 | Very low | 108 Ų | 108 | 146.4 Ų | 146.4 | 66% | 0.663 | 78% | 0.776 | S | S | * | * | trans | 59.4 | 146.8 | 160.1 | 52.2 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1575 | Q | 27.7 | Very low | 25.9 | Very low | 177 Ų | 177 | 145.7 Ų | 145.7 | 83% | 0.827 | 77% | 0.772 | S | S | * | * | cis | -160.6 | 159 | -3.6 | -109.6 | 165.6 | 10.8 | 0 | 0 | 106.3 | ||||
| 1576 | S | 27.7 | Very low | 25.9 | Very low | 96 Ų | 96 | 145.4 Ų | 145.4 | 67% | 0.671 | 77% | 0.766 | S | S | * | * | cis | -163 | 135.8 | 3 | 50.6 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1577 | Q | 25.7 | Very low | 25.7 | Very low | 200 Ų | 200 | 148.5 Ų | 148.5 | 94% | 0.935 | 77% | 0.765 | S | S | * | * | trans | 69.1 | 160.7 | 144.4 | -69.1 | -176.2 | -20.5 | 0 | 0 | 122.7 | ||||
| 1578 | S | 22.2 | Very low | 25.6 | Very low | 106 Ų | 106 | 146.6 Ų | 146.6 | 74% | 0.741 | 76% | 0.755 | S | S | * | * | trans | -155.6 | 171.4 | -166.3 | 61.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1579 | S | 23.8 | Very low | 25.4 | Very low | 94 Ų | 94 | 150.2 Ų | 150.2 | 66% | 0.657 | 76% | 0.764 | S | S | * | * | trans | 63 | 114.1 | 150.7 | 53.7 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 1580 | L | 22.7 | Very low | 25.3 | Very low | 162 Ų | 162 | 149 Ų | 149 | 85% | 0.848 | 76% | 0.762 | S | S | * | * | 46.9 | 163.5 | 120 | -83.8 | 82.9 | 0 | 0 | 0 | 122.2 | |||||
| 1581 | P | 33.8 | Very low | 25.2 | Very low | 101 Ų | 101 | 147 Ų | 147 | 66% | 0.656 | 76% | 0.76 | S | S | * | * | cis | -148.1 | 177 | -37.3 | 42.4 | -24.6 | 0 | 0 | 0 | 117.3 | ||||
| 1582 | S | 24.8 | Very low | 24.9 | Very low | 103 Ų | 103 | 148.5 Ų | 148.5 | 72% | 0.72 | 76% | 0.76 | S | S | * | * | trans | 88.3 | 162.9 | 136.8 | 81.3 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 1583 | Q | 23.3 | Very low | 24.9 | Very low | 174 Ų | 174 | 149.1 Ų | 149.1 | 81% | 0.813 | 76% | 0.756 | S | S | * | * | trans | 73.4 | 141.6 | 171.6 | -67.6 | -167.5 | 1.9 | 0 | 0 | 118.9 | ||||
| 1584 | M | 24.3 | Very low | 24.8 | Very low | 163 Ų | 163 | 146.8 Ų | 146.8 | 80% | 0.803 | 75% | 0.748 | S | S | * | * | cis | -167.7 | 144.4 | -25.4 | -161.5 | 158.9 | 179.1 | 0 | 0 | 108.4 | ||||
| 1585 | D | 27.1 | Very low | 24.5 | Very low | 146 Ų | 146 | 147.4 Ų | 147.4 | 78% | 0.781 | 75% | 0.752 | S | S | * | * | trans | -170.1 | 157.4 | 133.3 | -119.5 | 0.6 | 0 | 0 | 0 | 117.8 | ||||
| 1586 | H | 24.5 | Very low | 24.3 | Very low | 143 Ų | 143 | 144.9 Ų | 144.9 | 66% | 0.662 | 75% | 0.749 | S | S | * | * | trans | -31.3 | 127.9 | -178.5 | -63.5 | -79.6 | 0 | 0 | 0 | 120.4 | ||||
| 1587 | R | 26.2 | Very low | 24.2 | Very low | 230 Ų | 230 | 145.7 Ų | 145.7 | 87% | 0.868 | 75% | 0.752 | S | S | * | * | -167.2 | 107.9 | 90 | -98.7 | 177.6 | -170.9 | 173 | 6.7 | 114.3 | |||||
| 1588 | D | 25 | Very low | 24.1 | Very low | 109 Ų | 109 | 143.9 Ų | 143.9 | 58% | 0.583 | 75% | 0.748 | S | S | * | * | trans | 37 | 106.5 | 134.4 | -40.8 | -28.8 | 0 | 0 | 0 | 119.4 | ||||
| 1589 | F | 23.9 | Very low | 24 | Very low | 215 Ų | 215 | 145 Ų | 145 | 94% | 0.943 | 74% | 0.744 | S | S | * | * | -144.8 | 120.3 | 114.6 | -117.3 | -74.9 | 0 | 0 | 0 | 111.9 | |||||
| 1590 | I | 22.9 | Very low | 23.9 | Very low | 135 Ų | 135 | 151.6 Ų | 151.6 | 69% | 0.692 | 76% | 0.756 | S | S | * | * | trans | -96.1 | 172.9 | 179.7 | -76.8 | 170.3 | 0 | 0 | 0 | 109.3 | ||||
| 1591 | T | 22.6 | Very low | 24.1 | Very low | 108 Ų | 108 | 149 Ų | 149 | 66% | 0.663 | 75% | 0.749 | S | S | * | * | trans | 76 | 107.6 | 161.2 | 31.6 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1592 | Y | 21.1 | Very low | 23.5 | Very low | 214 Ų | 214 | 151 Ų | 151 | 84% | 0.839 | 75% | 0.754 | S | S | * | * | 62.6 | 165.7 | 108.7 | -95.7 | -94.2 | 0 | 0 | 0 | 121.8 | |||||
| 1593 | K | 22 | Very low | 23.5 | Very low | 158 Ų | 158 | 152 Ų | 152 | 69% | 0.687 | 76% | 0.755 | S | S | * | * | trans | 99.1 | 127.3 | 131.6 | -103 | 178.2 | 170.9 | -159.5 | 0 | 120.9 | ||||
| 1594 | Q | 22.7 | Very low | 23.5 | Very low | 140 Ų | 140 | 151.4 Ų | 151.4 | 65% | 0.654 | 76% | 0.757 | S | S | * | * | trans | 62.2 | 109.6 | 131.4 | -79.7 | 171.1 | -35.9 | 0 | 0 | 120.3 | ||||
| 1595 | T | 20.3 | Very low | 23.7 | Very low | 121 Ų | 121 | 151.1 Ų | 151.1 | 74% | 0.742 | 76% | 0.758 | S | S | * | * | S | Bend | -27.5 | 126.9 | 126.6 | 50.2 | 0 | 0 | 0 | 0 | 114.3 | |||
| 1596 | T | 24.5 | Very low | 23.7 | Very low | 124 Ų | 124 | 153.1 Ų | 153.1 | 76% | 0.761 | 76% | 0.76 | S | S | * | * | trans | 45.2 | 116.6 | 150.2 | 56.8 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1597 | P | 25.1 | Very low | 23.7 | Very low | 114 Ų | 114 | 156 Ų | 156 | 74% | 0.74 | 77% | 0.771 | S | S | * | * | -128.4 | 146.4 | 84.1 | 5.9 | 16.7 | 0 | 0 | 0 | 112.6 | |||||
| 1598 | L | 22.6 | Very low | 23.7 | Very low | 162 Ų | 162 | 150.4 Ų | 150.4 | 85% | 0.848 | 76% | 0.764 | S | S | * | * | 78.7 | 150.2 | 65.3 | -67.3 | 169 | 0 | 0 | 0 | 115.6 | |||||
| 1599 | I | 21.8 | Very low | 23.9 | Very low | 130 Ų | 130 | 154.9 Ų | 154.9 | 67% | 0.667 | 78% | 0.779 | S | S | * | * | trans | 83.8 | 94.8 | 170 | -48.8 | -179 | 0 | 0 | 0 | 117.5 | ||||
| 1600 | Y | 21.5 | Very low | 23.8 | Very low | 232 Ų | 232 | 153.3 Ų | 153.3 | 91% | 0.91 | 77% | 0.774 | S | S | * | * | S | Bend | -86.4 | 157.4 | 122.6 | -116.1 | -66.1 | 0 | 0 | 0 | 107.2 | |||
| 1601 | P | 25.6 | Very low | 24.1 | Very low | 106 Ų | 106 | 152.4 Ų | 152.4 | 69% | 0.688 | 78% | 0.777 | S | S | * | * | -83.1 | 128.2 | -121.6 | 31.5 | -13.1 | 0 | 0 | 0 | 114 | |||||
| 1602 | L | 22 | Very low | 24.2 | Very low | 145 Ų | 145 | 153.2 Ų | 153.2 | 76% | 0.759 | 78% | 0.782 | S | S | * | * | trans | -84.7 | 110.6 | 154.7 | -90.3 | 165.5 | 0 | 0 | 0 | 108.8 | ||||
| 1603 | T | 24.1 | Very low | 24.7 | Very low | 122 Ų | 122 | 148.8 Ų | 148.8 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | trans | 16.5 | 124.2 | 153.5 | 52.8 | 0 | 0 | 0 | 0 | 119 | ||||
| 1604 | D | 24.5 | Very low | 24.9 | Very low | 162 Ų | 162 | 147.2 Ų | 147.2 | 87% | 0.866 | 79% | 0.788 | S | S | * | * | trans | -46.6 | 134.4 | 172.8 | -71.5 | -84.5 | 0 | 0 | 0 | 115.5 | ||||
| 1605 | L | 27 | Very low | 24.9 | Very low | 157 Ų | 157 | 145.4 Ų | 145.4 | 82% | 0.822 | 79% | 0.791 | S | S | * | * | trans | -144.8 | 77.1 | 151.6 | -113.7 | 172.8 | 0 | 0 | 0 | 113 | ||||
| 1606 | K | 28.3 | Very low | 25.2 | Very low | 189 Ų | 189 | 147.4 Ų | 147.4 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | trans | 56.6 | 114.4 | 148.7 | -64.9 | 177.3 | 179.8 | 174.5 | 0 | 120.2 | ||||
| 1607 | K | 23.1 | Very low | 25.3 | Very low | 203 Ų | 203 | 146.6 Ų | 146.6 | 88% | 0.883 | 80% | 0.796 | S | S | * | * | trans | -30.7 | 145.5 | 139.8 | -75.5 | 179 | 179.6 | 177.2 | 0 | 112.6 | ||||
| 1608 | P | 27.7 | Very low | 25.2 | Very low | 112 Ų | 112 | 145.9 Ų | 145.9 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | -152.6 | 164.9 | 72.1 | 41.2 | -22.1 | 0 | 0 | 0 | 119.9 | |||||
| 1609 | K | 27.6 | Very low | 25.3 | Very low | 204 Ų | 204 | 146 Ų | 146 | 89% | 0.887 | 79% | 0.794 | S | S | * | * | trans | 74.3 | 106.7 | 150.4 | -77.9 | 172.9 | 179.7 | -175.2 | 0 | 121.6 | ||||
| 1610 | Q | 22.9 | Very low | 25.6 | Very low | 182 Ų | 182 | 145 Ų | 145 | 85% | 0.85 | 80% | 0.798 | S | S | * | * | trans | -58.3 | 172.5 | 131.9 | -67.4 | 168.9 | -46.1 | 0 | 0 | 111.9 | ||||
| 1611 | P | 29.4 | Very low | 25.8 | Very low | 115 Ų | 115 | 139.7 Ų | 139.7 | 75% | 0.747 | 79% | 0.785 | S | S | * | * | cis | -132 | -169.2 | -13.1 | 27.1 | -3 | 0 | 0 | 0 | 114.5 | ||||
| 1612 | T | 23.4 | Very low | 25.6 | Very low | 126 Ų | 126 | 139.3 Ų | 139.3 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | trans | -47.2 | 179.2 | 162.5 | 52.7 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1613 | P | 32 | Very low | 25.8 | Very low | 120 Ų | 120 | 140.6 Ų | 140.6 | 78% | 0.779 | 79% | 0.793 | S | S | * | * | cis | -135 | 170.3 | -44.7 | 37.2 | -21.8 | 0 | 0 | 0 | 113.1 | ||||
| 1614 | S | 26.9 | Very low | 25.8 | Very low | 126 Ų | 126 | 143.3 Ų | 143.3 | 88% | 0.881 | 79% | 0.794 | S | S | * | * | trans | -155.5 | 154.6 | 156 | 56.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1615 | S | 23.6 | Very low | 26.1 | Very low | 102 Ų | 102 | 145.8 Ų | 145.8 | 71% | 0.713 | 79% | 0.793 | S | S | * | * | trans | -96.6 | 147.8 | -173.9 | 53.9 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1616 | L | 25.2 | Very low | 26.2 | Very low | 163 Ų | 163 | 143.6 Ų | 143.6 | 85% | 0.853 | 79% | 0.788 | S | S | * | * | 172.7 | 163.2 | 127.2 | -93.1 | 153.1 | 0 | 0 | 0 | 112.3 | |||||
| 1617 | S | 26.6 | Very low | 26.1 | Very low | 106 Ų | 106 | 141.9 Ų | 141.9 | 74% | 0.741 | 79% | 0.787 | S | S | * | * | trans | 59.9 | 116.7 | -168.3 | 67.4 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1618 | S | 22.8 | Very low | 26.3 | Very low | 100 Ų | 100 | 137.2 Ų | 137.2 | 70% | 0.699 | 77% | 0.772 | S | S | * | * | cis | 75.5 | 121.1 | 13.1 | 96.3 | 0 | 0 | 0 | 0 | 117 | ||||
| 1619 | L | 25.4 | Very low | 26.4 | Very low | 164 Ų | 164 | 136.5 Ų | 136.5 | 86% | 0.859 | 77% | 0.77 | S | S | * | * | trans | 69.8 | 141 | -177.5 | -53.5 | 162.2 | 0 | 0 | 0 | 112.4 | L1621 | L1619-L1621 HydrophobicContact CD2-CD1 4.22Š| ||
| 1620 | S | 27 | Very low | 26.5 | Very low | 108 Ų | 108 | 133.4 Ų | 133.4 | 76% | 0.755 | 76% | 0.758 | S | S | * | * | cis | -126.7 | 159.4 | 22.5 | 63.1 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1621 | L | 26.9 | Very low | 26.8 | Very low | 122 Ų | 122 | 131.6 Ų | 131.6 | 64% | 0.639 | 75% | 0.753 | S | S | * | * | trans | -17.2 | 142.6 | 142.6 | -68.3 | 72.8 | 0 | 0 | 0 | 114.6 | L1619 | L1619-L1621 HydrophobicContact CD2-CD1 4.22Š| ||
| 1622 | S | 22.1 | Very low | 26.8 | Very low | 97 Ų | 97 | 128.9 Ų | 128.9 | 68% | 0.678 | 75% | 0.746 | S | S | * | * | cis | 66.3 | 76.9 | 46.9 | 88 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1623 | N | 25.7 | Very low | 27.1 | Very low | 172 Ų | 172 | 129.8 Ų | 129.8 | 92% | 0.92 | 75% | 0.746 | S | S | * | * | trans | -155.5 | 158.6 | 138.7 | -115.8 | -28 | 0 | 0 | 0 | 113.7 | ||||
| 1624 | K | 22.7 | Very low | 26.7 | Very low | 179 Ų | 179 | 129.7 Ų | 129.7 | 78% | 0.778 | 74% | 0.735 | S | S | * | * | trans | -94.1 | 151.5 | -176.5 | -82.8 | 178.2 | 177.9 | 177.7 | 0 | 111.8 | ||||
| 1625 | Y | 31.9 | Very low | 26.9 | Very low | 214 Ų | 214 | 131.9 Ų | 131.9 | 84% | 0.839 | 73% | 0.725 | S | S | * | * | trans | 28.6 | 152.9 | 148.4 | -61.7 | -73.6 | 0 | 0 | 0 | 121.1 | ||||
| 1626 | P | 28.9 | Very low | 26.9 | Very low | 111 Ų | 111 | 134.9 Ų | 134.9 | 72% | 0.721 | 73% | 0.725 | S | S | * | * | -148.8 | 158.7 | 109.8 | 35.9 | -20.3 | 0 | 0 | 0 | 116.8 | |||||
| 1627 | L | 25.7 | Very low | 27 | Very low | 153 Ų | 153 | 136.1 Ų | 136.1 | 80% | 0.801 | 72% | 0.72 | S | S | * | * | trans | 56.5 | 143.6 | 152.4 | -86.6 | 82.8 | 0 | 0 | 0 | 119.3 | ||||
| 1628 | N | 27.1 | Very low | 26.9 | Very low | 106 Ų | 106 | 136.7 Ų | 136.7 | 57% | 0.567 | 72% | 0.715 | S | S | * | * | cis | -159.9 | 160.8 | -18.9 | -125.5 | 7.8 | 0 | 0 | 0 | 106.6 | H1630 | N1628-H1630 PolarHBondContact ND2-CE1 2.86Å; N1628-H1630 PolarHBondContact ND2-NE2 3.13Å; N1628-H1630 PolarHBondContact OD1-CE1 3.44Å | ||
| 1629 | S | 29.5 | Very low | 27.1 | Very low | 97 Ų | 97 | 137.8 Ų | 137.8 | 68% | 0.678 | 71% | 0.713 | S | S | * | * | cis | -164.9 | 174.8 | 15.2 | 16.1 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 1630 | H | 29.7 | Very low | 27.3 | Very low | 138 Ų | 138 | 137.2 Ų | 137.2 | 64% | 0.639 | 71% | 0.708 | S | S | * | * | cis | -175.2 | 164.3 | -12.9 | -90.6 | -17.5 | 0 | 0 | 0 | 104.8 | N1628 | N1628-H1630 PolarHBondContact ND2-CE1 2.86Å; N1628-H1630 PolarHBondContact ND2-NE2 3.13Å; N1628-H1630 PolarHBondContact OD1-CE1 3.44Å | ||
| 1631 | I | 29.9 | Very low | 27.5 | Very low | 145 Ų | 145 | 138.3 Ų | 138.3 | 74% | 0.744 | 71% | 0.705 | S | S | * | * | cis | -162.8 | 156 | -10.8 | -101.7 | 162.8 | 0 | 0 | 0 | 103.8 | ||||
| 1632 | G | 29.4 | Very low | 27.6 | Very low | 58 Ų | 58 | 138.5 Ų | 138.5 | 60% | 0.598 | 71% | 0.706 | S | S | * | * | cis | -133.5 | -148.2 | 4.8 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 1633 | N | 29.1 | Very low | 27.9 | Very low | 145 Ų | 145 | 139.3 Ų | 139.3 | 78% | 0.775 | 70% | 0.703 | S | S | * | * | cis | 105 | 135.4 | 8.1 | -71.6 | 18.8 | 0 | 0 | 0 | 116.5 | ||||
| 1634 | Q | 25.6 | Very low | 28.1 | Very low | 118 Ų | 118 | 136.9 Ų | 136.9 | 55% | 0.551 | 69% | 0.69 | S | S | * | * | cis | -175.9 | 167.2 | -21.5 | -148.7 | 166.1 | 1.7 | 0 | 0 | 112.6 | ||||
| 1635 | Y | 29.1 | Very low | 28.3 | Very low | 172 Ų | 172 | 133.9 Ų | 133.9 | 68% | 0.675 | 68% | 0.683 | S | S | * | * | trans | 75.1 | 140.9 | 166.5 | -53.4 | -68.8 | 0 | 0 | 0 | 117.8 | ||||
| 1636 | F | 25.5 | Very low | 28.3 | Very low | 164 Ų | 164 | 129.3 Ų | 129.3 | 72% | 0.719 | 67% | 0.673 | S | S | * | * | cis | 78.3 | 138.8 | 33.8 | -70.8 | -61.8 | 0 | 0 | 0 | 114.3 | ||||
| 1637 | Y | 25.9 | Very low | 28.2 | Very low | 190 Ų | 190 | 129.9 Ų | 129.9 | 75% | 0.745 | 67% | 0.67 | S | S | * | * | cis | -140.3 | -163.5 | 8 | -76.7 | -75.2 | 0 | 0 | 0 | 110 | ||||
| 1638 | D | 26.1 | Very low | 28.5 | Very low | 118 Ų | 118 | 128 Ų | 128 | 63% | 0.631 | 66% | 0.66 | S | S | * | * | cis | -164.8 | 153.1 | 6 | -144.1 | 22.3 | 0 | 0 | 0 | 115.9 | ||||
| 1639 | N | 26 | Very low | 28.5 | Very low | 122 Ų | 122 | 129.4 Ų | 129.4 | 65% | 0.652 | 66% | 0.664 | S | S | * | * | trans | 47.2 | 164.1 | 140.6 | -76.4 | -31.7 | 0 | 0 | 0 | 128.7 | ||||
| 1640 | M | 29.9 | Very low | 28.4 | Very low | 153 Ų | 153 | 131.6 Ų | 131.6 | 75% | 0.754 | 66% | 0.663 | S | S | * | * | trans | 77.5 | 151 | 166.4 | -49.4 | -39.1 | -146 | 0 | 0 | 118.4 | ||||
| 1641 | D | 30.2 | Very low | 28.2 | Very low | 130 Ų | 130 | 130.9 Ų | 130.9 | 70% | 0.695 | 66% | 0.663 | S | S | * | * | cis | -170.8 | 164.3 | -17.6 | -94.8 | -17.3 | 0 | 0 | 0 | 108.1 | ||||
| 1642 | D | 30.4 | Very low | 28 | Very low | 126 Ų | 126 | 130.4 Ų | 130.4 | 67% | 0.674 | 66% | 0.661 | S | S | * | * | cis | -168 | 150.8 | -33.1 | -174.3 | 29.3 | 0 | 0 | 0 | 111.9 | ||||
| 1643 | N | 27.6 | Very low | 27.7 | Very low | 114 Ų | 114 | 135.6 Ų | 135.6 | 61% | 0.61 | 67% | 0.67 | S | S | * | * | trans | 63.7 | 152.4 | 148.4 | -102.7 | -43.9 | 0 | 0 | 0 | 128.4 | ||||
| 1644 | N | 29.4 | Very low | 27.7 | Very low | 122 Ų | 122 | 136.1 Ų | 136.1 | 65% | 0.652 | 67% | 0.673 | S | S | * | * | trans | 77.4 | 145 | 141.2 | -75.7 | -33.8 | 0 | 0 | 0 | 123.4 | ||||
| 1645 | N | 28.5 | Very low | 27.6 | Very low | 116 Ų | 116 | 137.6 Ų | 137.6 | 62% | 0.62 | 68% | 0.684 | S | S | * | * | cis | -172.6 | 171.7 | -25 | -144.2 | -22.8 | 0 | 0 | 0 | 113.8 | ||||
| 1646 | N | 30.6 | Very low | 27.3 | Very low | 117 Ų | 117 | 136.2 Ų | 136.2 | 63% | 0.626 | 69% | 0.686 | S | S | * | * | trans | 72.5 | 149.7 | 145 | -72.3 | -29.4 | 0 | 0 | 0 | 122.3 | ||||
| 1647 | N | 28 | Very low | 27.4 | Very low | 124 Ų | 124 | 134.1 Ų | 134.1 | 66% | 0.663 | 68% | 0.681 | S | S | * | * | cis | -172.9 | 172.8 | -30.1 | -132.5 | -22.8 | 0 | 0 | 0 | 113.5 | ||||
| 1648 | N | 30.5 | Very low | 27.4 | Very low | 112 Ų | 112 | 134.5 Ų | 134.5 | 60% | 0.599 | 68% | 0.681 | S | S | * | * | trans | 72.7 | 147.3 | 151.5 | -68.7 | -2.8 | 0 | 0 | 0 | 120.9 | ||||
| 1649 | H | 28.7 | Very low | 27.3 | Very low | 137 Ų | 137 | 134.9 Ų | 134.9 | 63% | 0.634 | 68% | 0.683 | S | S | * | * | cis | -166.9 | 151.1 | -13 | -120 | 0.3 | 0 | 0 | 0 | 113.5 | ||||
| 1650 | H | 27.2 | Very low | 27.2 | Very low | 143 Ų | 143 | 135.4 Ų | 135.4 | 66% | 0.662 | 69% | 0.686 | S | S | * | * | trans | 37.9 | 158.9 | 132.9 | -71.8 | -15.2 | 0 | 0 | 0 | 124.9 | ||||
| 1651 | N | 24.9 | Very low | 27 | Very low | 122 Ų | 122 | 139.4 Ų | 139.4 | 65% | 0.652 | 69% | 0.693 | S | S | * | * | cis | 179.5 | 170.4 | -31.5 | -132.2 | 8.1 | 0 | 0 | 0 | 110 | ||||
| 1652 | I | 25.9 | Very low | 26.7 | Very low | 135 Ų | 135 | 139.2 Ų | 139.2 | 69% | 0.692 | 69% | 0.69 | S | S | * | * | trans | 70.2 | 146.7 | 150.7 | -71.2 | 163 | 0 | 0 | 0 | 117.7 | ||||
| 1653 | E | 23.2 | Very low | 26.5 | Very low | 168 Ų | 168 | 140.1 Ų | 140.1 | 79% | 0.785 | 69% | 0.69 | S | S | * | * | cis | -161.5 | -163 | -23.5 | -107.4 | 174.5 | 158.1 | 0 | 0 | 109 | ||||
| 1654 | D | 28.5 | Very low | 26.5 | Very low | 156 Ų | 156 | 143.1 Ų | 143.1 | 83% | 0.834 | 70% | 0.698 | S | S | * | * | trans | 101.2 | 73.3 | 165.1 | -67.6 | -1.6 | 0 | 0 | 0 | 121.8 | ||||
| 1655 | D | 24.3 | Very low | 26.1 | Very low | 149 Ų | 149 | 141.2 Ų | 141.2 | 80% | 0.797 | 69% | 0.694 | S | S | * | * | 60.8 | 153.2 | 111.1 | -140 | 2.9 | 0 | 0 | 0 | 125.8 | |||||
| 1656 | M | 23 | Very low | 26 | Very low | 142 Ų | 142 | 141.6 Ų | 141.6 | 70% | 0.7 | 70% | 0.696 | S | S | * | * | trans | 77.6 | 124.6 | 153.5 | -69.1 | -147.8 | -54 | 0 | 0 | 124.9 | ||||
| 1657 | I | 27.2 | Very low | 25.7 | Very low | 120 Ų | 120 | 141 Ų | 141 | 62% | 0.615 | 70% | 0.7 | S | S | * | * | trans | 92.8 | 97.9 | 132.4 | -73.6 | 173.9 | 0 | 0 | 0 | 121.2 | ||||
| 1658 | R | 26.1 | Very low | 25.6 | Very low | 198 Ų | 198 | 140.9 Ų | 140.9 | 75% | 0.747 | 69% | 0.691 | S | S | * | * | 82.3 | 106.9 | 114.4 | -166.2 | -175.7 | -72.2 | 177.2 | -1.5 | 121.6 | |||||
| 1659 | N | 23.8 | Very low | 25.3 | Very low | 126 Ų | 126 | 138.2 Ų | 138.2 | 67% | 0.674 | 68% | 0.676 | S | S | * | * | trans | 56.6 | 112.2 | 136.7 | -50.2 | 4 | 0 | 0 | 0 | 120.9 | ||||
| 1660 | N | 23.8 | Very low | 25.2 | Very low | 134 Ų | 134 | 139.1 Ų | 139.1 | 72% | 0.717 | 69% | 0.685 | S | S | * | * | 163.2 | 106.2 | 94.5 | -92.1 | -37.3 | 0 | 0 | 0 | 114.6 | |||||
| 1661 | R | 26.2 | Very low | 25.2 | Very low | 237 Ų | 237 | 137.3 Ų | 137.3 | 89% | 0.894 | 68% | 0.684 | S | S | * | * | trans | -179.6 | 119.8 | 137.9 | -97.2 | 150.5 | -176.3 | 173.6 | 1.6 | 106.3 | ||||
| 1662 | I | 23 | Very low | 25.2 | Very low | 126 Ų | 126 | 137.4 Ų | 137.4 | 65% | 0.646 | 69% | 0.69 | S | S | * | * | 71.9 | 131.8 | 51.7 | -55.4 | 169 | 0 | 0 | 0 | 110.9 | |||||
| 1663 | H | 26.9 | Very low | 25.2 | Very low | 144 Ų | 144 | 137.8 Ų | 137.8 | 67% | 0.667 | 69% | 0.693 | S | S | * | * | trans | 81.9 | 116.9 | -168.4 | -61.7 | -50.4 | 0 | 0 | 0 | 113.2 | ||||
| 1664 | K | 26 | Very low | 25.6 | Very low | 178 Ų | 178 | 139.6 Ų | 139.6 | 77% | 0.774 | 70% | 0.698 | S | S | * | * | 78.8 | 146.1 | 65.4 | -79 | -167.2 | -174.2 | 179.6 | 0 | 110.8 | |||||
| 1665 | S | 22.8 | Very low | 25.7 | Very low | 81 Ų | 81 | 135.2 Ų | 135.2 | 57% | 0.566 | 67% | 0.672 | S | S | * | * | cis | -163.6 | 163.7 | -17.1 | -111.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1666 | N | 25.5 | Very low | 26.1 | Very low | 125 Ų | 125 | 130.8 Ų | 130.8 | 67% | 0.668 | 65% | 0.652 | S | S | * | * | trans | 25.2 | 125.1 | 138.8 | -35.5 | 3.6 | 0 | 0 | 0 | 117.3 | ||||
| 1667 | S | 25.2 | Very low | 26.6 | Very low | 103 Ų | 103 | 133.9 Ų | 133.9 | 72% | 0.72 | 66% | 0.656 | S | S | * | * | 54.4 | 155.1 | 52.6 | 90.5 | 0 | 0 | 0 | 0 | 115 | |||||
| 1668 | W | 25.2 | Very low | 27 | Very low | 122 Ų | 122 | 134.2 Ų | 134.2 | 46% | 0.462 | 66% | 0.655 | S | S | . | * | trans | 107 | 104.8 | -177.1 | -74.1 | 53.4 | 0 | 0 | 0 | 113.9 | K1675 E1679 T1683 | W1668-K1675 HydrophobicContact CH2-CD 4.33Å; W1668-K1675 VanDerWaalsContact CH2-CE 3.49Å; W1668-K1675 VanDerWaalsContact CZ3-CE 3.41Å; W1668-K1675 VanDerWaalsContact CZ3-NZ 3.28Å; W1668-E1679 HydrophobicContact CH2-CB 4.46Å; W1668-E1679 HydrophobicContact CZ2-CB 4.24Å; W1668-T1683 WeakPolarHBondContact CH2-OG1 3.16Å | ||
| 1669 | L | 24.3 | Very low | 27.4 | Very low | 56 Ų | 56 | 128.8 Ų | 128.8 | 29% | 0.293 | 64% | 0.638 | S | S | . | * | 74.2 | 120.9 | 91.9 | -87.8 | 137.5 | 0 | 0 | 0 | 111.5 | T1671 K1675 | L1669-T1671 WeakPolarHBondContact CD2-O 3.37Å; L1669-K1675 HydrophobicContact CD1-CG 4.01Å; L1669-K1675 HydrophobicContact CD2-CG 4.06Å | |||
| 1670 | L | 27 | Very low | 28 | Very low | 156 Ų | 156 | 128.4 Ų | 128.4 | 82% | 0.817 | 63% | 0.631 | S | S | * | * | -119.9 | 93.1 | 53.1 | -72 | 163.6 | 0 | 0 | 0 | 116.6 | T1672 | L1670-T1672 HydrophobicContact CD2-CG2 3.89Š| |||
| 1671 | T | 25.7 | Very low | 28.6 | Very low | 106 Ų | 106 | 129.7 Ų | 129.7 | 65% | 0.65 | 63% | 0.626 | S | S | * | * | trans | -103.2 | 108.4 | 139.9 | 35.1 | 0 | 0 | 0 | 0 | 108.4 | L1669 N1673 | L1669-T1671 WeakPolarHBondContact CD2-O 3.37Å; T1671-N1673 PolarHBondContact O-N 2.8Å | ||
| 1672 | T | 25.3 | Very low | 29 | Very low | 124 Ų | 124 | 122.5 Ų | 122.5 | 76% | 0.761 | 61% | 0.605 | S | S | * | * | S | Bend | trans | -79.1 | 36.1 | 178.7 | 45.6 | 0 | 0 | 0 | 0 | 113.2 | L1670 | L1670-T1672 HydrophobicContact CD2-CG2 3.89Š|
| 1673 | N | 27.2 | Very low | 29.5 | Very low | 143 Ų | 143 | 118.6 Ų | 118.6 | 77% | 0.765 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -135.8 | 124.8 | 167.4 | -103.8 | -40.8 | 0 | 0 | 0 | 107.4 | T1671 | T1671-N1673 PolarHBondContact O-N 2.8Š|
| 1674 | K | 31 | Very low | 29.9 | Very low | 205 Ų | 205 | 118.1 Ų | 118.1 | 89% | 0.891 | 58% | 0.583 | S | S | * | * | trans | 73.9 | 50.7 | -166.7 | -50.6 | -179.1 | 179.5 | 178.9 | 0 | 116.6 | ||||
| 1675 | K | 29.6 | Very low | 30.3 | Very low | 65 Ų | 65 | 115.4 Ų | 115.4 | 28% | 0.283 | 57% | 0.572 | S | S | . | * | trans | -77.7 | 147 | 137.6 | -83.5 | -163.8 | 174 | -172.2 | 0 | 108.4 | W1668 L1669 F1680 T1683 | W1668-K1675 HydrophobicContact CH2-CD 4.33Å; W1668-K1675 VanDerWaalsContact CH2-CE 3.49Å; W1668-K1675 VanDerWaalsContact CZ3-CE 3.41Å; W1668-K1675 VanDerWaalsContact CZ3-NZ 3.28Å; L1669-K1675 HydrophobicContact CD1-CG 4.01Å; L1669-K1675 HydrophobicContact CD2-CG 4.06Å; K1675-F1680 HydrophobicContact CB-CB 4.39Å; K1675-F1680 HydrophobicContact CD-CB 4.21Å; K1675-F1680 HydrophobicContact CD-CD2 4.23Å; K1675-T1683 PolarHBondContact NZ-OG1 3.19Å | ||
| 1676 | S | 34.2 | Very low | 30.9 | Very low | 55 Ų | 55 | 117.6 Ų | 117.6 | 39% | 0.385 | 57% | 0.573 | S | S | . | * | trans | -67 | 154.3 | 163.9 | 77 | 0 | 0 | 0 | 0 | 110.1 | Q1678 E1679 F1680 | S1676-Q1678 PolarHBondContact O-N 2.93Å; S1676-E1679 WeakPolarHBondContact CB-OE2 3.31Å; S1676-E1679 PolarHBondContact N-OE2 3.2Å; S1676-E1679 PolarHBondContact O-N 3.43Å; S1676-E1679 VanDerWaalsContact OG-CD 3.32Å; S1676-E1679 VanDerWaalsContact OG-CG 3.32Å; S1676-E1679 WeakPolarHBondContact OG-CG 3.32Å; S1676-E1679 PolarHBondContact OG-N 2.82Å; S1676-E1679 PolarHBondContact OG-OE2 3.48Å; S1676-F1680 PolarHBondContact O-N 3.2Å; S1676-F1680 VanDerWaalsContact O-N 3.17Å | ||
| 1677 | R | 33 | Very low | 31.2 | Very low | 207 Ų | 207 | 117.7 Ų | 117.7 | 78% | 0.781 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -57.3 | -31.1 | 178.1 | 174.5 | 171.6 | 158.8 | 168.8 | -6.5 | 112.1 | W1681 | R1677-W1681 VanDerWaalsContact O-CD1 3.26Å |
| 1678 | Q | 34.7 | Very low | 31.7 | Very low | 127 Ų | 127 | 117.5 Ų | 117.5 | 59% | 0.593 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -79.7 | -43.2 | -178.4 | -138.5 | 68.5 | 5 | 0 | 0 | 112.3 | S1676 F1680 W1681 N1682 | S1676-Q1678 PolarHBondContact O-N 2.93Å; Q1678-F1680 VanDerWaalsContact C-N 3.31Å; Q1678-F1680 PolarHBondContact O-N 3.17Å; Q1678-W1681 PolarHBondContact O-N 3.12Å; Q1678-N1682 PolarHBondContact O-N 2.97Å; Q1678-N1682 PolarHBondContact O-OD1 2.76Å |
| 1679 | E | 34 | Very low | 31.9 | Very low | 84 Ų | 84 | 115 Ų | 115 | 39% | 0.393 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -67.6 | -30.7 | 179.4 | -68.5 | 162.5 | 118.1 | 0 | 0 | 112.8 | W1668 S1676 W1681 N1682 T1683 | W1668-E1679 HydrophobicContact CH2-CB 4.46Å; W1668-E1679 HydrophobicContact CZ2-CB 4.24Å; S1676-E1679 WeakPolarHBondContact CB-OE2 3.31Å; S1676-E1679 PolarHBondContact N-OE2 3.2Å; S1676-E1679 PolarHBondContact O-N 3.43Å; S1676-E1679 VanDerWaalsContact OG-CD 3.32Å; S1676-E1679 VanDerWaalsContact OG-CG 3.32Å; S1676-E1679 WeakPolarHBondContact OG-CG 3.32Å; S1676-E1679 PolarHBondContact OG-N 2.82Å; S1676-E1679 PolarHBondContact OG-OE2 3.48Å; E1679-W1681 VanDerWaalsContact C-N 3.34Å; E1679-N1682 PolarHBondContact O-N 2.91Å; E1679-T1683 PolarHBondContact O-N 3.29Å; E1679-T1683 VanDerWaalsContact O-N 3.12Å; E1679-T1683 PolarHBondContact O-OG1 2.82Å |
| 1680 | F | 37.6 | Very low | 32.3 | Very low | 119 Ų | 119 | 118 Ų | 118 | 52% | 0.522 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -60.3 | -43.2 | 172.2 | -177.5 | -88.5 | 0 | 0 | 0 | 111.9 | K1675 S1676 Q1678 | K1675-F1680 HydrophobicContact CB-CB 4.39Å; K1675-F1680 HydrophobicContact CD-CB 4.21Å; K1675-F1680 HydrophobicContact CD-CD2 4.23Å; S1676-F1680 PolarHBondContact O-N 3.2Å; S1676-F1680 VanDerWaalsContact O-N 3.17Å; Q1678-F1680 VanDerWaalsContact C-N 3.31Å; Q1678-F1680 PolarHBondContact O-N 3.17Å |
| 1681 | W | 36.7 | Very low | 32.6 | Very low | 160 Ų | 160 | 118.3 Ų | 118.3 | 61% | 0.606 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -75 | -33.8 | 177.2 | -77.9 | 108.9 | 0 | 0 | 0 | 112.9 | R1677 Q1678 E1679 F1684 K1685 | R1677-W1681 VanDerWaalsContact O-CD1 3.26Å; Q1678-W1681 PolarHBondContact O-N 3.12Å; E1679-W1681 VanDerWaalsContact C-N 3.34Å; W1681-F1684 WeakPolarHBondContact O-CB 3.35Å; W1681-F1684 PolarHBondContact O-N 2.91Å; W1681-K1685 PolarHBondContact O-N 3.04Å |
| 1682 | N | 33.6 | Very low | 32.8 | Very low | 87 Ų | 87 | 119 Ų | 119 | 47% | 0.465 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -66.2 | -40.6 | 177.4 | -71.9 | 0.6 | 0 | 0 | 0 | 112.6 | Q1678 E1679 F1684 K1685 E1686 | Q1678-N1682 PolarHBondContact O-N 2.97Å; Q1678-N1682 PolarHBondContact O-OD1 2.76Å; E1679-N1682 PolarHBondContact O-N 2.91Å; N1682-F1684 PolarHBondContact O-N 3.22Å; N1682-K1685 WeakPolarHBondContact O-CA 3.36Å; N1682-K1685 WeakPolarHBondContact O-CB 3.13Å; N1682-K1685 PolarHBondContact O-N 3.15Å; N1682-E1686 PolarHBondContact O-N 2.9Å |
| 1683 | T | 34.6 | Very low | 32.9 | Very low | 44 Ų | 44 | 117.2 Ų | 117.2 | 27% | 0.27 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -63.7 | -29 | 174.6 | -36.7 | 0 | 0 | 0 | 0 | 112.3 | W1668 K1675 E1679 K1685 | W1668-T1683 WeakPolarHBondContact CH2-OG1 3.16Å; K1675-T1683 PolarHBondContact NZ-OG1 3.19Å; E1679-T1683 PolarHBondContact O-N 3.29Å; E1679-T1683 VanDerWaalsContact O-N 3.12Å; E1679-T1683 PolarHBondContact O-OG1 2.82Å; T1683-K1685 VanDerWaalsContact C-N 3.35Å |
| 1684 | F | 34.8 | Very low | 33 | Very low | 134 Ų | 134 | 115.7 Ų | 115.7 | 59% | 0.588 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -75.1 | -28.7 | 174 | -151.6 | -85.9 | 0 | 0 | 0 | 111.8 | W1681 N1682 Q1688 | W1681-F1684 WeakPolarHBondContact O-CB 3.35Å; W1681-F1684 PolarHBondContact O-N 2.91Å; N1682-F1684 PolarHBondContact O-N 3.22Å; F1684-Q1688 PolarHBondContact O-N 3.43Å |
| 1685 | K | 34.8 | Very low | 32.8 | Very low | 121 Ų | 121 | 109.2 Ų | 109.2 | 53% | 0.526 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -76.3 | -43.8 | 176.9 | -150 | -170.4 | 178.4 | -157.5 | 0 | 112.3 | W1681 N1682 T1683 L1687 Q1688 D1689 | W1681-K1685 PolarHBondContact O-N 3.04Å; N1682-K1685 WeakPolarHBondContact O-CA 3.36Å; N1682-K1685 WeakPolarHBondContact O-CB 3.13Å; N1682-K1685 PolarHBondContact O-N 3.15Å; T1683-K1685 VanDerWaalsContact C-N 3.35Å; K1685-L1687 PolarHBondContact O-N 2.92Å; K1685-Q1688 CarbonylContact O-C 3.48Å; K1685-Q1688 WeakPolarHBondContact O-CA 3.33Å; K1685-Q1688 WeakPolarHBondContact O-CB 3.48Å; K1685-Q1688 PolarHBondContact O-N 3.09Å; K1685-D1689 VanDerWaalsContact O-CG 3.28Å; K1685-D1689 PolarHBondContact O-N 3.18Å |
| 1686 | E | 34.8 | Very low | 32.7 | Very low | 127 Ų | 127 | 114.1 Ų | 114.1 | 59% | 0.593 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -58.7 | -32.5 | 175.5 | -72.6 | 177.5 | 125.5 | 0 | 0 | 112.7 | N1682 Q1688 L1690 | N1682-E1686 PolarHBondContact O-N 2.9Å; E1686-Q1688 VanDerWaalsContact C-N 3.34Å; E1686-L1690 WeakPolarHBondContact O-CB 3.21Å; E1686-L1690 PolarHBondContact O-N 3.49Å |
| 1687 | L | 32.7 | Very low | 32.3 | Very low | 127 Ų | 127 | 118.6 Ų | 118.6 | 67% | 0.665 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -73.3 | -21.8 | 173.5 | -96.8 | 165.8 | 0 | 0 | 0 | 114.2 | K1685 | K1685-L1687 PolarHBondContact O-N 2.92Å |
| 1688 | Q | 33.9 | Very low | 31.9 | Very low | 98 Ų | 98 | 113.2 Ų | 113.2 | 46% | 0.458 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -85.6 | -41.7 | 170 | -174.3 | 169.7 | -17.3 | 0 | 0 | 110.8 | F1684 K1685 E1686 L1690 H1691 E1692 | F1684-Q1688 PolarHBondContact O-N 3.43Å; K1685-Q1688 CarbonylContact O-C 3.48Å; K1685-Q1688 WeakPolarHBondContact O-CA 3.33Å; K1685-Q1688 WeakPolarHBondContact O-CB 3.48Å; K1685-Q1688 PolarHBondContact O-N 3.09Å; E1686-Q1688 VanDerWaalsContact C-N 3.34Å; Q1688-L1690 VanDerWaalsContact C-N 3.29Å; Q1688-L1690 PolarHBondContact O-N 3.38Å; Q1688-H1691 CarbonylContact O-C 3.56Å; Q1688-H1691 WeakPolarHBondContact O-CA 3.45Å; Q1688-H1691 WeakPolarHBondContact O-CB 3.49Å; Q1688-H1691 PolarHBondContact O-N 2.86Å; Q1688-E1692 VanDerWaalsContact CG-OE1 3.3Å; Q1688-E1692 WeakPolarHBondContact CG-OE1 3.26Å; Q1688-E1692 PolarHBondContact NE2-OE1 2.74Å; Q1688-E1692 PolarHBondContact O-N 3.35Å |
| 1689 | D | 30.7 | Very low | 31.4 | Very low | 71 Ų | 71 | 113.7 Ų | 113.7 | 38% | 0.38 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -64.5 | -30.6 | 176.5 | -61.6 | -32.2 | 0 | 0 | 0 | 111.4 | K1685 H1691 E1692 S1693 | K1685-D1689 VanDerWaalsContact O-CG 3.28Å; K1685-D1689 PolarHBondContact O-N 3.18Å; D1689-H1691 VanDerWaalsContact C-N 3.35Å; D1689-E1692 PolarHBondContact O-N 3.08Å; D1689-S1693 WeakPolarHBondContact O-CB 3.49Å; D1689-S1693 PolarHBondContact O-N 3.22Å; D1689-S1693 PolarHBondContact O-OG 2.82Å |
| 1690 | L | 32.4 | Very low | 31 | Very low | 118 Ų | 118 | 116.7 Ų | 116.7 | 62% | 0.618 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -71.5 | -23.6 | 169.1 | -101 | 164.8 | 0 | 0 | 0 | 114.1 | E1686 Q1688 | E1686-L1690 WeakPolarHBondContact O-CB 3.21Å; E1686-L1690 PolarHBondContact O-N 3.49Å; Q1688-L1690 VanDerWaalsContact C-N 3.29Å; Q1688-L1690 PolarHBondContact O-N 3.38Å |
| 1691 | H | 33.9 | Very low | 30.3 | Very low | 162 Ų | 162 | 121 Ų | 121 | 75% | 0.75 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -82.2 | -26.5 | 172.1 | -173.3 | -87.2 | 0 | 0 | 0 | 111.6 | Q1688 D1689 | Q1688-H1691 CarbonylContact O-C 3.56Å; Q1688-H1691 WeakPolarHBondContact O-CA 3.45Å; Q1688-H1691 WeakPolarHBondContact O-CB 3.49Å; Q1688-H1691 PolarHBondContact O-N 2.86Å; D1689-H1691 VanDerWaalsContact C-N 3.35Å |
| 1692 | E | 28.7 | Very low | 29.7 | Very low | 121 Ų | 121 | 118.8 Ų | 118.8 | 57% | 0.565 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -94.9 | -19 | -179 | -68.1 | 176.4 | -158.8 | 0 | 0 | 113.6 | Q1688 D1689 | Q1688-E1692 VanDerWaalsContact CG-OE1 3.3Å; Q1688-E1692 WeakPolarHBondContact CG-OE1 3.26Å; Q1688-E1692 PolarHBondContact NE2-OE1 2.74Å; Q1688-E1692 PolarHBondContact O-N 3.35Å; D1689-E1692 PolarHBondContact O-N 3.08Å |
| 1693 | S | 28.9 | Very low | 29.4 | Very low | 86 Ų | 86 | 120.8 Ų | 120.8 | 60% | 0.601 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.4 | -11.8 | -177.4 | 53 | 0 | 0 | 0 | 0 | 116.5 | D1689 G1695 | D1689-S1693 WeakPolarHBondContact O-CB 3.49Å; D1689-S1693 PolarHBondContact O-N 3.22Å; D1689-S1693 PolarHBondContact O-OG 2.82Å; S1693-G1695 VanDerWaalsContact C-N 3.32Å; S1693-G1695 PolarHBondContact O-N 3.4Å |
| 1694 | C | 29.1 | Very low | 29 | Very low | 111 Ų | 111 | 124.9 Ų | 124.9 | 75% | 0.75 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.7 | 29.1 | 172.6 | -74.9 | 0 | 0 | 0 | 0 | 113.4 | L1696 | C1694-L1696 PolarHBondContact O-N 3.33Š|
| 1695 | G | 25.7 | Very low | 28.6 | Very low | 70 Ų | 70 | 122 Ų | 122 | 72% | 0.722 | 65% | 0.654 | S | S | * | * | trans | -72.5 | 82.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | S1693 | S1693-G1695 VanDerWaalsContact C-N 3.32Å; S1693-G1695 PolarHBondContact O-N 3.4Å | ||
| 1696 | L | 27.7 | Very low | 28.3 | Very low | 167 Ų | 167 | 126.8 Ų | 126.8 | 87% | 0.874 | 67% | 0.668 | S | S | * | * | trans | -131.6 | 102.9 | 164.5 | -100.1 | 174.8 | 0 | 0 | 0 | 112.9 | C1694 | C1694-L1696 PolarHBondContact O-N 3.33Š| ||
| 1697 | N | 25.2 | Very low | 27.9 | Very low | 150 Ų | 150 | 125.3 Ų | 125.3 | 80% | 0.802 | 67% | 0.671 | S | S | * | * | trans | -90.4 | 119.5 | 169.1 | -116.7 | -24.6 | 0 | 0 | 0 | 110 | ||||
| 1698 | S | 25.2 | Very low | 27.6 | Very low | 94 Ų | 94 | 129.9 Ų | 129.9 | 66% | 0.657 | 68% | 0.68 | S | S | * | * | trans | -171.5 | 117.4 | 147.8 | 50.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 1699 | N | 24.3 | Very low | 27.1 | Very low | 137 Ų | 137 | 131.8 Ų | 131.8 | 73% | 0.733 | 69% | 0.692 | S | S | * | * | 71.5 | 160.8 | 56.5 | -66.1 | -33 | 0 | 0 | 0 | 113.9 | |||||
| 1700 | I | 24.9 | Very low | 27 | Very low | 147 Ų | 147 | 135.5 Ų | 135.5 | 75% | 0.754 | 71% | 0.709 | S | S | * | * | trans | 85.1 | 123.6 | 174.9 | -56.4 | 171.9 | 0 | 0 | 0 | 113.5 | ||||
| 1701 | W | 24.7 | Very low | 26.7 | Very low | 210 Ų | 210 | 135.4 Ų | 135.4 | 80% | 0.795 | 71% | 0.709 | S | S | * | * | cis | -171.5 | 163.1 | -13.4 | -119.4 | 11.7 | 0 | 0 | 0 | 112.4 | ||||
| 1702 | L | 23.6 | Very low | 26.3 | Very low | 113 Ų | 113 | 137.1 Ų | 137.1 | 59% | 0.592 | 71% | 0.711 | S | S | * | * | trans | 58.1 | 165.9 | 146.8 | -68.1 | -178.6 | 0 | 0 | 0 | 119.9 | D1704 | L1702-D1704 HydrophobicContact CD2-CB 4.36Š| ||
| 1703 | N | 26.3 | Very low | 26.1 | Very low | 129 Ų | 129 | 136.6 Ų | 136.6 | 69% | 0.69 | 72% | 0.715 | S | S | * | * | cis | -118.3 | 149.6 | -6.2 | -90.7 | -50.6 | 0 | 0 | 0 | 108.4 | ||||
| 1704 | D | 26.7 | Very low | 26 | Very low | 130 Ų | 130 | 138.2 Ų | 138.2 | 70% | 0.695 | 72% | 0.722 | S | S | * | * | 68.6 | 135.4 | 50.5 | -153.6 | 41.9 | 0 | 0 | 0 | 111.5 | L1702 | L1702-D1704 HydrophobicContact CD2-CB 4.36Š| |||
| 1705 | S | 26.3 | Very low | 26 | Very low | 72 Ų | 72 | 138.1 Ų | 138.1 | 50% | 0.503 | 72% | 0.718 | S | S | . | * | cis | -157 | 175.2 | 34.5 | 49.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 1706 | R | 27.8 | Very low | 26 | Very low | 222 Ų | 222 | 140.4 Ų | 140.4 | 84% | 0.838 | 72% | 0.718 | S | S | * | * | cis | -155.1 | 130.2 | 41.7 | -71.1 | -179.3 | -177.4 | 169.1 | 1.7 | 109.9 | ||||
| 1707 | C | 26.8 | Very low | 25.9 | Very low | 97 Ų | 97 | 137.7 Ų | 137.7 | 66% | 0.655 | 71% | 0.709 | S | S | * | * | 67.2 | 144.7 | 97.7 | -67.1 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 1708 | R | 27 | Very low | 26.1 | Very low | 222 Ų | 222 | 136.7 Ų | 136.7 | 84% | 0.838 | 70% | 0.704 | S | S | * | * | cis | -172.5 | 169.5 | 3.1 | -102.3 | 166.2 | -165.3 | -163.6 | 2.4 | 106.6 | ||||
| 1709 | L | 24.2 | Very low | 26.3 | Very low | 138 Ų | 138 | 138.2 Ų | 138.2 | 72% | 0.723 | 70% | 0.704 | S | S | * | * | cis | -174.8 | 177.3 | -23.5 | -162.7 | 70.1 | 0 | 0 | 0 | 108 | ||||
| 1710 | M | 27 | Very low | 26.5 | Very low | 150 Ų | 150 | 137.4 Ų | 137.4 | 74% | 0.739 | 70% | 0.7 | S | S | * | * | trans | 82 | 139.3 | 160.5 | -59.5 | 169.3 | 140.5 | 0 | 0 | 118 | ||||
| 1711 | D | 25.8 | Very low | 26.7 | Very low | 115 Ų | 115 | 136.2 Ų | 136.2 | 62% | 0.615 | 70% | 0.7 | S | S | * | * | cis | -159.3 | 171.4 | -11.2 | -104.3 | -18.6 | 0 | 0 | 0 | 113.5 | ||||
| 1712 | Y | 25.3 | Very low | 26.8 | Very low | 199 Ų | 199 | 131.6 Ų | 131.6 | 78% | 0.78 | 70% | 0.695 | S | S | * | * | trans | -27.4 | 174.4 | 174.6 | -59.5 | -94.5 | 0 | 0 | 0 | 121.8 | ||||
| 1713 | T | 26.3 | Very low | 27.1 | Very low | 109 Ų | 109 | 132.7 Ų | 132.7 | 67% | 0.669 | 71% | 0.706 | S | S | * | * | cis | -168.1 | 143.9 | 22.6 | -12.2 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1714 | T | 25.8 | Very low | 27.1 | Very low | 120 Ų | 120 | 130.2 Ų | 130.2 | 74% | 0.736 | 70% | 0.704 | S | S | * | * | trans | 50.3 | 165.6 | 140.2 | 55.6 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 1715 | T | 28.5 | Very low | 27.2 | Very low | 109 Ų | 109 | 131.6 Ų | 131.6 | 67% | 0.669 | 71% | 0.711 | S | S | * | * | cis | -166 | 143.9 | 12.5 | -1.9 | 0 | 0 | 0 | 0 | 115 | ||||
| 1716 | T | 26 | Very low | 27.1 | Very low | 119 Ų | 119 | 132.9 Ų | 132.9 | 73% | 0.73 | 72% | 0.72 | S | S | * | * | trans | 43.3 | 157.1 | 137 | 59.9 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 1717 | T | 26.8 | Very low | 27 | Very low | 109 Ų | 109 | 128.2 Ų | 128.2 | 67% | 0.669 | 72% | 0.717 | S | S | * | * | cis | -176.4 | 153.9 | -10.6 | 33.3 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1718 | N | 28.2 | Very low | 26.9 | Very low | 130 Ų | 130 | 129.7 Ų | 129.7 | 70% | 0.695 | 72% | 0.722 | S | S | * | * | trans | 80.3 | 137.6 | 133.9 | -69.1 | 5.1 | 0 | 0 | 0 | 128.7 | ||||
| 1719 | N | 29.4 | Very low | 27 | Very low | 125 Ų | 125 | 125.7 Ų | 125.7 | 67% | 0.668 | 72% | 0.723 | S | S | * | * | trans | 69.8 | 153.2 | 141.5 | -63 | 3.9 | 0 | 0 | 0 | 121.5 | ||||
| 1720 | N | 28.6 | Very low | 27 | Very low | 121 Ų | 121 | 125.4 Ų | 125.4 | 65% | 0.647 | 73% | 0.727 | S | S | * | * | cis | -167.2 | 162.2 | -14.8 | -106.5 | -6 | 0 | 0 | 0 | 112.8 | ||||
| 1721 | T | 28.6 | Very low | 27.3 | Very low | 122 Ų | 122 | 123.4 Ų | 123.4 | 75% | 0.748 | 73% | 0.725 | S | S | * | * | trans | 64.3 | 158.1 | 149.8 | 44.4 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1722 | T | 27.7 | Very low | 27.4 | Very low | 113 Ų | 113 | 123.6 Ų | 123.6 | 69% | 0.693 | 73% | 0.731 | S | S | * | * | cis | -169.8 | 158.8 | -39.6 | 21.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1723 | T | 29.4 | Very low | 27.4 | Very low | 136 Ų | 136 | 123.2 Ų | 123.2 | 83% | 0.834 | 74% | 0.736 | S | S | * | * | trans | 61.5 | 155.4 | 154.8 | 49.8 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1724 | A | 27 | Very low | 27.7 | Very low | 77 Ų | 77 | 123.3 Ų | 123.3 | 64% | 0.636 | 74% | 0.738 | S | S | * | * | cis | -171.7 | 169.6 | -25.2 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 1725 | N | 27.8 | Very low | 27.6 | Very low | 159 Ų | 159 | 123.8 Ų | 123.8 | 85% | 0.85 | 74% | 0.741 | S | S | * | * | trans | 82.1 | 126.1 | 158.4 | -63.9 | -4.8 | 0 | 0 | 0 | 123.3 | ||||
| 1726 | S | 25.3 | Very low | 27.4 | Very low | 99 Ų | 99 | 125.4 Ų | 125.4 | 69% | 0.692 | 75% | 0.745 | S | S | * | * | trans | -43.8 | 158.6 | 161.4 | 50.8 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1727 | T | 25.9 | Very low | 27.3 | Very low | 124 Ų | 124 | 126.3 Ų | 126.3 | 76% | 0.761 | 75% | 0.745 | S | S | * | * | -168.6 | 149 | 67.2 | 41.6 | 0 | 0 | 0 | 0 | 116 | |||||
| 1728 | V | 24.4 | Very low | 27.1 | Very low | 127 Ų | 127 | 127.6 Ų | 127.6 | 77% | 0.77 | 75% | 0.748 | S | S | * | * | trans | 37.7 | 117.1 | 140.6 | -172.8 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1729 | T | 29.2 | Very low | 26.9 | Very low | 139 Ų | 139 | 129.5 Ų | 129.5 | 85% | 0.853 | 75% | 0.753 | S | S | * | * | -174.5 | 162.6 | 122.4 | 19.1 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 1730 | T | 24 | Very low | 26.8 | Very low | 131 Ų | 131 | 128.4 Ų | 128.4 | 80% | 0.804 | 76% | 0.755 | S | S | * | * | trans | -113.9 | 179.9 | -179.9 | 48.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1731 | P | 33 | Very low | 26.6 | Very low | 109 Ų | 109 | 133.8 Ų | 133.8 | 71% | 0.708 | 77% | 0.766 | S | S | * | * | cis | -132.3 | -150.7 | -29.9 | 28 | -3.3 | 0 | 0 | 0 | 112.7 | ||||
| 1732 | T | 27.6 | Very low | 26.4 | Very low | 119 Ų | 119 | 135.1 Ų | 135.1 | 73% | 0.73 | 77% | 0.768 | S | S | * | * | trans | 97.1 | 105.7 | 154.6 | 71.3 | 0 | 0 | 0 | 0 | 123 | ||||
| 1733 | Q | 26.8 | Very low | 26.3 | Very low | 191 Ų | 191 | 138.6 Ų | 138.6 | 89% | 0.893 | 77% | 0.773 | S | S | * | * | trans | 68.6 | 159.9 | 131.2 | -75.4 | -169.1 | -22.3 | 0 | 0 | 122.6 | ||||
| 1734 | P | 30.9 | Very low | 26.1 | Very low | 111 Ų | 111 | 139.8 Ų | 139.8 | 72% | 0.721 | 77% | 0.774 | S | S | * | * | trans | -122.3 | -176 | -151.6 | 44 | -31.9 | 0 | 0 | 0 | 115.7 | ||||
| 1735 | V | 25.4 | Very low | 26.1 | Very low | 130 Ų | 130 | 143.6 Ų | 143.6 | 79% | 0.788 | 78% | 0.783 | S | S | * | * | trans | 170 | 126.9 | 132.4 | 152.7 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1736 | N | 22.9 | Very low | 25.9 | Very low | 142 Ų | 142 | 147.5 Ų | 147.5 | 76% | 0.759 | 79% | 0.786 | S | S | * | * | trans | 42.4 | 145.2 | 150.2 | -80.6 | -15.7 | 0 | 0 | 0 | 128.4 | ||||
| 1737 | L | 23.9 | Very low | 25.9 | Very low | 138 Ų | 138 | 152.4 Ų | 152.4 | 72% | 0.723 | 80% | 0.795 | S | S | * | * | trans | 83.2 | 107.1 | 138.2 | -74.6 | 164.4 | 0 | 0 | 0 | 124.1 | ||||
| 1738 | N | 22.5 | Very low | 25.8 | Very low | 137 Ų | 137 | 156.2 Ų | 156.2 | 73% | 0.733 | 80% | 0.795 | S | S | * | * | 61.4 | 138.9 | 126.8 | -71.5 | 14.8 | 0 | 0 | 0 | 126.4 | |||||
| 1739 | E | 25.9 | Very low | 25.7 | Very low | 170 Ų | 170 | 158.2 Ų | 158.2 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | trans | 75.7 | 92 | 146.2 | -71.7 | -174.1 | 171.6 | 0 | 0 | 124.1 | ||||
| 1740 | S | 25.6 | Very low | 25.4 | Very low | 102 Ų | 102 | 161.3 Ų | 161.3 | 71% | 0.713 | 79% | 0.794 | S | S | * | * | 63.2 | 115.5 | 125.9 | 64.8 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 1741 | R | 24.2 | Very low | 25.8 | Very low | 233 Ų | 233 | 160.1 Ų | 160.1 | 88% | 0.879 | 79% | 0.788 | S | S | * | * | trans | 49.1 | 110.4 | 138.2 | -78.9 | -176.6 | 169.6 | -173.2 | -2.7 | 117.6 | ||||
| 1742 | L | 24.7 | Very low | 25.5 | Very low | 151 Ų | 151 | 161.8 Ų | 161.8 | 79% | 0.791 | 79% | 0.79 | S | S | * | * | 177.3 | 159.1 | 63.8 | -111.7 | 162.3 | 0 | 0 | 0 | 112.6 | |||||
| 1743 | K | 25.2 | Very low | 25.4 | Very low | 186 Ų | 186 | 162.9 Ų | 162.9 | 81% | 0.809 | 79% | 0.785 | S | S | * | * | trans | 74.6 | 155.7 | 168 | -64 | 177.1 | 179.9 | 174.8 | 0 | 118 | ||||
| 1744 | L | 26.9 | Very low | 25.3 | Very low | 161 Ų | 161 | 161.1 Ų | 161.1 | 84% | 0.843 | 78% | 0.782 | S | S | * | * | S | Bend | trans | 63.1 | 153.8 | -170.9 | -78.4 | 86.7 | 0 | 0 | 0 | 117.1 | ||
| 1745 | N | 26.5 | Very low | 25.1 | Very low | 156 Ų | 156 | 160.7 Ų | 160.7 | 83% | 0.834 | 77% | 0.773 | S | S | * | * | trans | 50.9 | 64.6 | 176.1 | -64.6 | -6.4 | 0 | 0 | 0 | 117.4 | K1747 | N1745-K1747 PolarHBondContact O-N 2.98Š| ||
| 1746 | R | 23.9 | Very low | 25.2 | Very low | 242 Ų | 242 | 162.7 Ų | 162.7 | 91% | 0.913 | 78% | 0.78 | S | S | * | * | trans | -49.7 | 126.1 | 156.5 | -64.9 | 169.4 | 172 | 159.2 | -5.1 | 110.8 | ||||
| 1747 | K | 24.6 | Very low | 25.3 | Very low | 201 Ų | 201 | 162 Ų | 162 | 87% | 0.874 | 78% | 0.776 | S | S | * | * | trans | -120.3 | 111.3 | 151 | -80.5 | -172.2 | 174.3 | -178.6 | 0 | 108.9 | N1745 | N1745-K1747 PolarHBondContact O-N 2.98Š| ||
| 1748 | R | 24.7 | Very low | 25.3 | Very low | 204 Ų | 204 | 162.3 Ų | 162.3 | 77% | 0.77 | 78% | 0.778 | S | S | * | * | trans | -65.3 | 143.1 | 155.1 | -68.7 | 173 | 172.3 | 162.5 | -6.3 | 106.6 | ||||
| 1749 | E | 22.2 | Very low | 25.4 | Very low | 170 Ų | 170 | 163.8 Ų | 163.8 | 79% | 0.794 | 78% | 0.777 | S | S | * | * | 61.5 | 147.6 | 54.6 | -62.5 | -172.3 | 130.2 | 0 | 0 | 113.5 | |||||
| 1750 | Y | 22.9 | Very low | 25.5 | Very low | 204 Ų | 204 | 165.5 Ų | 165.5 | 80% | 0.8 | 78% | 0.778 | S | S | * | * | trans | 79.1 | 155.8 | -170.1 | -57.2 | -72.7 | 0 | 0 | 0 | 116 | ||||
| 1751 | P | 32.3 | Very low | 25.3 | Very low | 105 Ų | 105 | 166.4 Ų | 166.4 | 68% | 0.682 | 78% | 0.775 | S | S | * | * | -143.1 | -175.6 | -65.4 | 39.1 | -20.8 | 0 | 0 | 0 | 113.8 | |||||
| 1752 | L | 25.1 | Very low | 25.2 | Very low | 144 Ų | 144 | 163.3 Ų | 163.3 | 75% | 0.754 | 77% | 0.768 | S | S | * | * | trans | 150.3 | 111.1 | 140.1 | -79.6 | 161.1 | 0 | 0 | 0 | 108.3 | ||||
| 1753 | K | 26.7 | Very low | 25.1 | Very low | 143 Ų | 143 | 164.8 Ų | 164.8 | 62% | 0.622 | 77% | 0.768 | S | S | * | * | 58.4 | 113.8 | 91.3 | -69.2 | -166.9 | 179.1 | -174.3 | 0 | 112.2 | N1802 | K1753-N1802 PolarHBondContact NZ-OD1 3.21Š| |||
| 1754 | D | 24.6 | Very low | 25 | Very low | 153 Ų | 153 | 160.9 Ų | 160.9 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | cis | 55.7 | 71.8 | 16.3 | -84.2 | 11.5 | 0 | 0 | 0 | 114.1 | ||||
| 1755 | D | 25.8 | Very low | 24.8 | Very low | 102 Ų | 102 | 161 Ų | 161 | 55% | 0.545 | 76% | 0.762 | S | S | . | * | 173 | 119.3 | 109.1 | -95.8 | -23.9 | 0 | 0 | 0 | 109.6 | K1804 | D1755-K1804 WeakPolarHBondContact OD2-CE 3.35Å; D1755-K1804 IonicContact OD2-NZ 2.6Å; D1755-K1804 PolarHBondContact OD2-NZ 2.85Å | |||
| 1756 | D | 28.5 | Very low | 24.6 | Very low | 173 Ų | 173 | 162.2 Ų | 162.2 | 93% | 0.925 | 76% | 0.756 | S | S | * | * | trans | -166.4 | 71.1 | 141.3 | -102.8 | -16.7 | 0 | 0 | 0 | 108.6 | ||||
| 1757 | L | 25.4 | Very low | 24.7 | Very low | 128 Ų | 128 | 155.3 Ų | 155.3 | 67% | 0.67 | 74% | 0.741 | S | S | * | * | trans | -82.4 | 114.2 | 163.2 | 171.2 | 79.4 | 0 | 0 | 0 | 107.8 | ||||
| 1758 | D | 23.9 | Very low | 24.7 | Very low | 144 Ų | 144 | 151.6 Ų | 151.6 | 77% | 0.77 | 74% | 0.738 | S | S | * | * | trans | -142.9 | 144.9 | 157.7 | -151.1 | -14.2 | 0 | 0 | 0 | 111.5 | ||||
| 1759 | K | 24.7 | Very low | 24.7 | Very low | 167 Ų | 167 | 147.4 Ų | 147.4 | 73% | 0.726 | 74% | 0.737 | S | S | * | * | S | Bend | trans | 52.3 | 89.5 | -171.3 | -59.8 | 179.9 | -176.7 | 177.5 | 0 | 113.4 | ||
| 1760 | Y | 26.1 | Very low | 24.9 | Very low | 207 Ų | 207 | 144.7 Ų | 144.7 | 81% | 0.812 | 74% | 0.737 | S | S | * | * | cis | -153.8 | 142.2 | 34.6 | -90.7 | -93 | 0 | 0 | 0 | 112.5 | ||||
| 1761 | L | 22.2 | Very low | 25 | Very low | 121 Ų | 121 | 141 Ų | 141 | 63% | 0.634 | 74% | 0.739 | S | S | * | * | trans | -143.3 | 123.8 | 173.2 | -172.1 | 77.9 | 0 | 0 | 0 | 111 | ||||
| 1762 | F | 22.8 | Very low | 24.7 | Very low | 168 Ų | 168 | 141.9 Ų | 141.9 | 74% | 0.737 | 73% | 0.729 | S | S | * | * | trans | 61.9 | 158.7 | 176.6 | -66.2 | -55.4 | 0 | 0 | 0 | 116 | ||||
| 1763 | K | 22.6 | Very low | 24.8 | Very low | 182 Ų | 182 | 147.2 Ų | 147.2 | 79% | 0.791 | 74% | 0.739 | S | S | * | * | cis | -144.5 | 157.3 | -1.2 | -141.9 | 161.3 | -172.7 | 170.3 | 0 | 111.1 | ||||
| 1764 | C | 21.6 | Very low | 24.8 | Very low | 103 Ų | 103 | 149 Ų | 149 | 70% | 0.696 | 75% | 0.747 | S | S | * | * | trans | -65.7 | 143.9 | 166.6 | -37.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1765 | I | 23.8 | Very low | 24.8 | Very low | 163 Ų | 163 | 149.5 Ų | 149.5 | 84% | 0.836 | 75% | 0.745 | S | S | * | * | trans | -160.7 | 126.4 | 138.8 | -100.8 | 150.4 | 0 | 0 | 0 | 109.7 | ||||
| 1766 | Y | 23.1 | Very low | 24.9 | Very low | 182 Ų | 182 | 150.2 Ų | 150.2 | 71% | 0.714 | 76% | 0.757 | S | S | * | * | trans | 68.6 | 116 | 159.4 | -98.3 | -115.1 | 0 | 0 | 0 | 124.5 | ||||
| 1767 | T | 25 | Very low | 24.7 | Very low | 97 Ų | 97 | 149.5 Ų | 149.5 | 60% | 0.595 | 75% | 0.748 | S | S | * | * | trans | 57.2 | 118.5 | 137 | 51.6 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 1768 | P | 24.6 | Very low | 24.8 | Very low | 123 Ų | 123 | 148.9 Ų | 148.9 | 80% | 0.799 | 75% | 0.754 | S | S | * | * | trans | -100.8 | 162 | 165.7 | 39.3 | -33.1 | 0 | 0 | 0 | 113.9 | ||||
| 1769 | P | 25.5 | Very low | 24.9 | Very low | 117 Ų | 117 | 148.6 Ų | 148.6 | 76% | 0.76 | 75% | 0.753 | S | S | * | * | trans | -94.3 | 126.1 | 168.6 | 34.2 | -30.9 | 0 | 0 | 0 | 114 | ||||
| 1770 | S | 26.5 | Very low | 24.9 | Very low | 112 Ų | 112 | 146.2 Ų | 146.2 | 78% | 0.783 | 75% | 0.752 | S | S | * | * | trans | 28.4 | 95.9 | 148.4 | 43.7 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1771 | C | 24.5 | Very low | 24.8 | Very low | 127 Ų | 127 | 142.1 Ų | 142.1 | 86% | 0.858 | 75% | 0.749 | S | S | * | * | trans | 31.5 | 108.6 | 135.8 | -62.5 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1772 | R | 26.6 | Very low | 25 | Very low | 124 Ų | 124 | 143 Ų | 143 | 47% | 0.468 | 76% | 0.759 | S | S | . | * | trans | -161.8 | 97.3 | 136.2 | -119.8 | 168.3 | -173.2 | -102.2 | -9.1 | 115.1 | ||||
| 1773 | R | 26.5 | Very low | 25 | Very low | 255 Ų | 255 | 142 Ų | 142 | 96% | 0.962 | 76% | 0.761 | S | S | * | * | trans | -83.9 | 113.7 | 153.1 | -86.4 | -178.1 | 171.8 | 155.9 | -1.3 | 108.7 | ||||
| 1774 | K | 26.5 | Very low | 25.2 | Very low | 180 Ų | 180 | 144.1 Ų | 144.1 | 78% | 0.783 | 77% | 0.765 | S | S | * | * | trans | -91.6 | 127.4 | 155.8 | -114.1 | -165.3 | 172.6 | -165.5 | 0 | 106.8 | ||||
| 1775 | Q | 25.5 | Very low | 25.4 | Very low | 165 Ų | 165 | 147.1 Ų | 147.1 | 77% | 0.771 | 77% | 0.773 | S | S | * | * | trans | -68.5 | 148 | 163.6 | -68.7 | 170.5 | -20.7 | 0 | 0 | 109.4 | ||||
| 1776 | S | 26.9 | Very low | 25.4 | Very low | 117 Ų | 117 | 146.7 Ų | 146.7 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | trans | -124.1 | 106.4 | 161.4 | 53.3 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1777 | H | 24.3 | Very low | 25.6 | Very low | 158 Ų | 158 | 143.5 Ų | 143.5 | 73% | 0.731 | 77% | 0.772 | S | S | * | * | trans | -78.1 | 134.9 | 172.2 | -83.1 | 19.5 | 0 | 0 | 0 | 110.7 | ||||
| 1778 | S | 27.8 | Very low | 25.6 | Very low | 114 Ų | 114 | 143.7 Ų | 143.7 | 80% | 0.797 | 78% | 0.777 | S | S | * | * | trans | -157.8 | 100.6 | 147.5 | 59.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1779 | N | 25.2 | Very low | 25.5 | Very low | 139 Ų | 139 | 142 Ų | 142 | 74% | 0.743 | 77% | 0.769 | S | S | * | * | trans | -64.7 | 160.2 | 162.5 | -68.3 | -6.2 | 0 | 0 | 0 | 109.6 | ||||
| 1780 | T | 25.1 | Very low | 25.4 | Very low | 116 Ų | 116 | 143.5 Ų | 143.5 | 71% | 0.712 | 77% | 0.77 | S | S | * | * | cis | -167.6 | 149.8 | -7.3 | 19 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1781 | V | 24.1 | Very low | 25.4 | Very low | 122 Ų | 122 | 143.4 Ų | 143.4 | 74% | 0.739 | 77% | 0.769 | S | S | * | * | trans | 48.6 | 113.5 | 144.2 | -176.7 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1782 | T | 26.2 | Very low | 25.3 | Very low | 138 Ų | 138 | 143.6 Ų | 143.6 | 85% | 0.847 | 76% | 0.761 | S | S | * | * | -169.4 | 159.2 | 117.1 | 16.4 | 0 | 0 | 0 | 0 | 113 | |||||
| 1783 | N | 23.8 | Very low | 25.3 | Very low | 147 Ų | 147 | 146.2 Ų | 146.2 | 79% | 0.786 | 78% | 0.776 | S | S | * | * | trans | -80.5 | 148.8 | -166.4 | -52.4 | -48.3 | 0 | 0 | 0 | 114.9 | ||||
| 1784 | R | 25.7 | Very low | 25.2 | Very low | 228 Ų | 228 | 139.3 Ų | 139.3 | 86% | 0.86 | 76% | 0.759 | S | S | * | * | 172.8 | 135.9 | 108.6 | -95.3 | 173.1 | 179.3 | 173.5 | 1.1 | 116.6 | |||||
| 1785 | L | 25.7 | Very low | 25.2 | Very low | 165 Ų | 165 | 137.6 Ų | 137.6 | 86% | 0.864 | 76% | 0.758 | S | S | * | * | trans | 79.1 | 151 | 143 | -65.6 | 166.8 | 0 | 0 | 0 | 122.8 | ||||
| 1786 | I | 24.2 | Very low | 25.1 | Very low | 154 Ų | 154 | 134 Ų | 134 | 79% | 0.79 | 75% | 0.752 | S | S | * | * | trans | -128.2 | 137.1 | -170.4 | -73.9 | 166 | 0 | 0 | 0 | 106.4 | ||||
| 1787 | P | 27.8 | Very low | 25.2 | Very low | 115 Ų | 115 | 135.8 Ų | 135.8 | 75% | 0.747 | 75% | 0.75 | S | S | * | * | -135.9 | 161.1 | 87.6 | 13.8 | 11.5 | 0 | 0 | 0 | 113.4 | |||||
| 1788 | S | 23.8 | Very low | 25.2 | Very low | 101 Ų | 101 | 132.7 Ų | 132.7 | 71% | 0.706 | 75% | 0.746 | S | S | * | * | 72.4 | 142.4 | 51.6 | 120.1 | 0 | 0 | 0 | 0 | 114 | |||||
| 1789 | S | 24.3 | Very low | 25.2 | Very low | 88 Ų | 88 | 132.4 Ų | 132.4 | 62% | 0.615 | 74% | 0.744 | S | S | * | * | cis | -175.6 | 154 | -6.3 | 38.8 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1790 | N | 22.9 | Very low | 25.8 | Very low | 149 Ų | 149 | 130.6 Ų | 130.6 | 80% | 0.797 | 74% | 0.74 | S | S | * | * | trans | 76.2 | 152.4 | 147.8 | -65.8 | -9.3 | 0 | 0 | 0 | 124.4 | ||||
| 1791 | S | 25.3 | Very low | 25.9 | Very low | 109 Ų | 109 | 133.8 Ų | 133.8 | 76% | 0.762 | 74% | 0.744 | S | S | * | * | trans | 91 | 143.9 | 147.3 | 81.8 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1792 | L | 23.9 | Very low | 26.1 | Very low | 132 Ų | 132 | 132.1 Ų | 132.1 | 69% | 0.691 | 73% | 0.731 | S | S | * | * | cis | -164.9 | -179.5 | -15.5 | -118.1 | 174.6 | 0 | 0 | 0 | 111.7 | ||||
| 1793 | F | 26.1 | Very low | 26.1 | Very low | 178 Ų | 178 | 134.1 Ų | 134.1 | 78% | 0.781 | 73% | 0.731 | S | S | * | * | trans | 77.6 | 153 | 167.5 | -60.5 | -87.5 | 0 | 0 | 0 | 119.3 | ||||
| 1794 | N | 24.2 | Very low | 26.2 | Very low | 111 Ų | 111 | 135.1 Ų | 135.1 | 59% | 0.594 | 73% | 0.729 | S | S | * | * | -176 | 152 | -50 | -111.4 | 4.2 | 0 | 0 | 0 | 111.2 | |||||
| 1795 | N | 25.4 | Very low | 26.7 | Very low | 143 Ų | 143 | 129.3 Ų | 129.3 | 77% | 0.765 | 72% | 0.72 | S | S | * | * | trans | 66.6 | 151.5 | 155 | -60.6 | -7.4 | 0 | 0 | 0 | 118.4 | ||||
| 1796 | S | 24.4 | Very low | 26.6 | Very low | 91 Ų | 91 | 129 Ų | 129 | 64% | 0.636 | 72% | 0.718 | S | S | * | * | cis | -179.6 | 160.9 | -16 | 51.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1797 | I | 28.4 | Very low | 26.7 | Very low | 154 Ų | 154 | 126.2 Ų | 126.2 | 79% | 0.79 | 71% | 0.712 | S | S | * | * | trans | 127.9 | 115.4 | 145.5 | -66.5 | 155 | 0 | 0 | 0 | 119.8 | ||||
| 1798 | S | 26 | Very low | 26.7 | Very low | 93 Ų | 93 | 127.8 Ų | 127.8 | 65% | 0.65 | 71% | 0.713 | S | S | * | * | trans | 29.1 | 113.9 | 152.7 | 68.4 | 0 | 0 | 0 | 0 | 128.1 | ||||
| 1799 | S | 25.8 | Very low | 26.8 | Very low | 108 Ų | 108 | 129.5 Ų | 129.5 | 76% | 0.755 | 71% | 0.713 | S | S | * | * | 32.7 | 170.9 | 97.2 | 68.8 | 0 | 0 | 0 | 0 | 124 | |||||
| 1800 | P | 39.7 | Very low | 26.9 | Very low | 101 Ų | 101 | 135.5 Ų | 135.5 | 66% | 0.656 | 73% | 0.728 | S | S | * | * | cis | -144.6 | -174.8 | -49 | 41.7 | -23.9 | 0 | 0 | 0 | 115.6 | ||||
| 1801 | F | 26.4 | Very low | 27.1 | Very low | 182 Ų | 182 | 133.4 Ų | 133.4 | 80% | 0.798 | 72% | 0.721 | S | S | * | * | 166.9 | 122 | 129.2 | -106.2 | -88.4 | 0 | 0 | 0 | 119.5 | |||||
| 1802 | N | 27.5 | Very low | 27.1 | Very low | 88 Ų | 88 | 137.7 Ų | 137.7 | 47% | 0.471 | 73% | 0.726 | S | S | . | * | trans | 50.4 | 137.9 | 142.8 | -84.1 | -7.4 | 0 | 0 | 0 | 129.6 | K1753 | K1753-N1802 PolarHBondContact NZ-OD1 3.21Š| ||
| 1803 | Q | 26.3 | Very low | 27.1 | Very low | 180 Ų | 180 | 138 Ų | 138 | 84% | 0.841 | 73% | 0.726 | S | S | * | * | trans | 94.9 | 148.1 | 136.1 | -78.5 | 173.9 | 1.8 | 0 | 0 | 122.9 | ||||
| 1804 | K | 27.3 | Very low | 27.1 | Very low | 168 Ų | 168 | 135.2 Ų | 135.2 | 73% | 0.73 | 73% | 0.728 | S | S | * | * | trans | -133.3 | 177.7 | -177.7 | -58.5 | 178.6 | -179.6 | 170.4 | 0 | 107.9 | D1755 | D1755-K1804 WeakPolarHBondContact OD2-CE 3.35Å; D1755-K1804 IonicContact OD2-NZ 2.6Å; D1755-K1804 PolarHBondContact OD2-NZ 2.85Å | ||
| 1805 | P | 34.3 | Very low | 27.1 | Very low | 106 Ų | 106 | 135 Ų | 135 | 69% | 0.688 | 74% | 0.735 | S | S | * | * | cis | -145.5 | -170.1 | 8.6 | 47 | -28 | 0 | 0 | 0 | 117.3 | ||||
| 1806 | I | 24.9 | Very low | 27.2 | Very low | 159 Ų | 159 | 134 Ų | 134 | 82% | 0.815 | 74% | 0.739 | S | S | * | * | trans | 71.4 | 139.8 | 157.2 | -69.2 | 168.1 | 0 | 0 | 0 | 118 | ||||
| 1807 | S | 25.9 | Very low | 27.2 | Very low | 95 Ų | 95 | 137.4 Ų | 137.4 | 66% | 0.664 | 75% | 0.751 | S | S | * | * | cis | -168.3 | -161.1 | -25.1 | 72.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1808 | I | 27.8 | Very low | 27.2 | Very low | 148 Ų | 148 | 140.2 Ų | 140.2 | 76% | 0.759 | 76% | 0.757 | S | S | * | * | trans | 82.5 | 96.9 | 178.4 | -51.7 | 175.9 | 0 | 0 | 0 | 113.5 | ||||
| 1809 | L | 25.7 | Very low | 27 | Very low | 137 Ų | 137 | 144.1 Ų | 144.1 | 72% | 0.717 | 77% | 0.765 | S | S | * | * | 84.6 | 121 | 56.6 | -73.8 | 168.7 | 0 | 0 | 0 | 115.9 | T1811 | L1809-T1811 HydrophobicContact CD2-CG2 4.44Š| |||
| 1810 | K | 27.5 | Very low | 27.1 | Very low | 213 Ų | 213 | 147 Ų | 147 | 93% | 0.926 | 77% | 0.77 | S | S | * | * | trans | -149 | 92 | 134.7 | -128.5 | 167.3 | -168.9 | 166.6 | 0 | 112.1 | ||||
| 1811 | T | 25.6 | Very low | 26.3 | Very low | 105 Ų | 105 | 148.3 Ų | 148.3 | 64% | 0.644 | 78% | 0.782 | S | S | * | * | trans | -76.8 | 165.4 | 159.7 | 48.1 | 0 | 0 | 0 | 0 | 109.8 | L1809 | L1809-T1811 HydrophobicContact CD2-CG2 4.44Š| ||
| 1812 | K | 26.2 | Very low | 26.3 | Very low | 200 Ų | 200 | 144.2 Ų | 144.2 | 87% | 0.87 | 78% | 0.782 | S | S | * | * | trans | -135.3 | 81.1 | 161.4 | -149.2 | 178.7 | -172.5 | -175.6 | 0 | 110.7 | ||||
| 1813 | I | 24.7 | Very low | 26.3 | Very low | 137 Ų | 137 | 145.2 Ų | 145.2 | 70% | 0.703 | 80% | 0.795 | S | S | * | * | trans | -98 | 130.1 | 160.4 | -67.4 | 173.1 | 0 | 0 | 0 | 106.4 | ||||
| 1814 | C | 24.6 | Very low | 26.2 | Very low | 121 Ų | 121 | 142.5 Ų | 142.5 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | -100.2 | 106.5 | 164.3 | -77.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1815 | S | 23.8 | Very low | 26.1 | Very low | 107 Ų | 107 | 143.2 Ų | 143.2 | 75% | 0.748 | 80% | 0.799 | S | S | * | * | trans | -140.1 | 110.1 | 166.2 | -61 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 1816 | S | 27.6 | Very low | 25.6 | Very low | 121 Ų | 121 | 141.8 Ų | 141.8 | 85% | 0.846 | 80% | 0.797 | S | S | * | * | trans | -99.9 | 96.7 | -178.8 | 55.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1817 | N | 25.1 | Very low | 25.6 | Very low | 163 Ų | 163 | 141.7 Ų | 141.7 | 87% | 0.872 | 80% | 0.798 | S | S | * | * | trans | -113.7 | 136.4 | 154.3 | -88.7 | -12.5 | 0 | 0 | 0 | 107.5 | ||||
| 1818 | K | 27.6 | Very low | 25.5 | Very low | 212 Ų | 212 | 141.5 Ų | 141.5 | 92% | 0.922 | 80% | 0.797 | S | S | * | * | trans | -81.4 | 141.8 | 172.4 | -110.9 | -175.5 | 174.8 | -174.5 | 0 | 109.7 | ||||
| 1819 | E | 23.6 | Very low | 25.2 | Very low | 176 Ų | 176 | 142.1 Ų | 142.1 | 82% | 0.822 | 80% | 0.798 | S | S | * | * | trans | -70.5 | 160.9 | 172.1 | -57.5 | 147.8 | 129.3 | 0 | 0 | 110.9 | ||||
| 1820 | I | 26.6 | Very low | 25.1 | Very low | 167 Ų | 167 | 144.3 Ų | 144.3 | 86% | 0.856 | 80% | 0.802 | S | S | * | * | -159.2 | 122 | 120.1 | -93 | 146 | 0 | 0 | 0 | 106.6 | |||||
| 1821 | S | 22.8 | Very low | 25 | Very low | 129 Ų | 129 | 140 Ų | 140 | 90% | 0.902 | 79% | 0.794 | S | S | * | * | trans | -152.8 | 112.1 | 170.2 | -73.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1822 | A | 26.7 | Very low | 24.8 | Very low | 97 Ų | 97 | 141 Ų | 141 | 80% | 0.802 | 80% | 0.8 | S | S | * | * | trans | -138.8 | 147.2 | 165.5 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 1823 | S | 28.3 | Very low | 24.8 | Very low | 108 Ų | 108 | 139.4 Ų | 139.4 | 76% | 0.755 | 80% | 0.799 | S | S | * | * | cis | -152.7 | 150.7 | -0.2 | 44.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1824 | T | 23.7 | Very low | 24.9 | Very low | 124 Ų | 124 | 138 Ų | 138 | 76% | 0.761 | 80% | 0.797 | S | S | * | * | trans | -1.6 | 150.7 | 151.5 | -0.5 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1825 | M | 24.4 | Very low | 25 | Very low | 182 Ų | 182 | 138 Ų | 138 | 90% | 0.897 | 79% | 0.793 | S | S | * | * | trans | 76.6 | 144.8 | 161.5 | -64.7 | 174.8 | 173.1 | 0 | 0 | 117.2 | ||||
| 1826 | A | 25.1 | Very low | 25.3 | Very low | 77 Ų | 77 | 138.4 Ų | 138.4 | 64% | 0.636 | 79% | 0.791 | S | S | * | * | cis | -162.2 | 160.1 | -18.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 1827 | D | 24.8 | Very low | 25.2 | Very low | 157 Ų | 157 | 138.9 Ų | 138.9 | 84% | 0.84 | 79% | 0.789 | S | S | * | * | trans | 53.7 | -169.9 | 158.4 | -62.1 | -21.7 | 0 | 0 | 0 | 119.4 | ||||
| 1828 | S | 22.5 | Very low | 25.4 | Very low | 91 Ų | 91 | 136.5 Ų | 136.5 | 64% | 0.636 | 78% | 0.781 | S | S | * | * | -159.4 | 173.8 | -85.8 | 70.4 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 1829 | M | 22.9 | Very low | 25.4 | Very low | 161 Ų | 161 | 130.6 Ų | 130.6 | 79% | 0.793 | 77% | 0.772 | S | S | * | * | trans | 74.3 | 112 | 166.8 | -53.1 | -134.6 | -164.7 | 0 | 0 | 120.8 | ||||
| 1830 | K | 22.3 | Very low | 25.6 | Very low | 183 Ų | 183 | 126.7 Ų | 126.7 | 80% | 0.796 | 77% | 0.769 | S | S | * | * | 63.7 | 157.2 | 124.5 | -74.6 | -173.7 | 171.6 | -175.9 | 0 | 123.2 | |||||
| 1831 | T | 25.8 | Very low | 25.5 | Very low | 123 Ų | 123 | 125.5 Ų | 125.5 | 76% | 0.755 | 77% | 0.77 | S | S | * | * | trans | 64.6 | 118.9 | 161 | 34.4 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1832 | T | 22.6 | Very low | 25.6 | Very low | 126 Ų | 126 | 122.8 Ų | 122.8 | 77% | 0.773 | 76% | 0.755 | S | S | * | * | cis | 67.3 | 86.2 | 44.2 | -42.9 | 0 | 0 | 0 | 0 | 113 | ||||
| 1833 | I | 25.9 | Very low | 25.4 | Very low | 165 Ų | 165 | 123.9 Ų | 123.9 | 85% | 0.846 | 75% | 0.752 | S | S | * | * | -148.7 | 152.8 | 127.4 | -101.7 | 159.4 | 0 | 0 | 0 | 107.1 | |||||
| 1834 | T | 26.1 | Very low | 25.1 | Very low | 107 Ų | 107 | 126.1 Ų | 126.1 | 66% | 0.656 | 75% | 0.754 | S | S | * | * | trans | -131.1 | 148.3 | -166.3 | 39.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1835 | T | 27.7 | Very low | 25.1 | Very low | 122 Ų | 122 | 126.3 Ų | 126.3 | 75% | 0.748 | 76% | 0.755 | S | S | * | * | trans | 65.8 | 152.5 | 147.9 | 55.9 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1836 | T | 29.2 | Very low | 25 | Very low | 115 Ų | 115 | 122.3 Ų | 122.3 | 71% | 0.706 | 75% | 0.745 | S | S | * | * | cis | -164.1 | 159.9 | -3.4 | 9.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1837 | T | 24.8 | Very low | 25 | Very low | 131 Ų | 131 | 123.1 Ų | 123.1 | 80% | 0.804 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -117.1 | 105.4 | 135 | 48.9 | 0 | 0 | 0 | 0 | 110.1 | ||
| 1838 | T | 29.6 | Very low | 24.9 | Very low | 113 Ų | 113 | 121.1 Ų | 121.1 | 69% | 0.693 | 74% | 0.744 | S | S | * | * | trans | 42.4 | 104.9 | 153.6 | 57 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1839 | A | 28.5 | Very low | 25 | Very low | 88 Ų | 88 | 121.4 Ų | 121.4 | 73% | 0.727 | 75% | 0.746 | S | S | * | * | 66.8 | 126.9 | 66.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 1840 | A | 26.5 | Very low | 25.1 | Very low | 94 Ų | 94 | 118.7 Ų | 118.7 | 78% | 0.777 | 74% | 0.743 | S | S | * | * | cis | 90.9 | 173.9 | 24.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1841 | V | 25.5 | Very low | 25.2 | Very low | 142 Ų | 142 | 114.6 Ų | 114.6 | 86% | 0.861 | 74% | 0.737 | S | S | * | * | trans | 75.6 | 143.1 | 163.8 | 145.9 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1842 | A | 24.1 | Very low | 25.1 | Very low | 73 Ų | 73 | 115.4 Ų | 115.4 | 60% | 0.603 | 74% | 0.736 | S | S | * | * | cis | -147.6 | 153 | -13.2 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 1843 | T | 22.6 | Very low | 25.4 | Very low | 120 Ų | 120 | 118.4 Ų | 118.4 | 74% | 0.736 | 74% | 0.739 | S | S | * | * | 70.7 | 129.6 | 61.6 | -21.9 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 1844 | I | 21.8 | Very low | 25.2 | Very low | 155 Ų | 155 | 115 Ų | 115 | 80% | 0.795 | 73% | 0.73 | S | S | * | * | trans | 73.7 | 134 | 173.5 | -42.4 | 169.4 | 0 | 0 | 0 | 111 | ||||
| 1845 | V | 25.3 | Very low | 25.4 | Very low | 128 Ų | 128 | 117 Ų | 117 | 78% | 0.776 | 74% | 0.742 | S | S | * | * | cis | -136.9 | 159.2 | 42.6 | -167 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1846 | S | 22 | Very low | 25.2 | Very low | 98 Ų | 98 | 116.3 Ų | 116.3 | 69% | 0.685 | 74% | 0.742 | S | S | * | * | trans | -34.2 | 167 | 149.2 | -15.9 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1847 | S | 23.9 | Very low | 25.1 | Very low | 94 Ų | 94 | 118.9 Ų | 118.9 | 66% | 0.657 | 75% | 0.751 | S | S | * | * | cis | 174.4 | 150.8 | -8.2 | 40 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1848 | S | 23.8 | Very low | 25.1 | Very low | 114 Ų | 114 | 118.4 Ų | 118.4 | 80% | 0.797 | 74% | 0.743 | S | S | * | * | trans | 58.4 | 151 | 161.4 | 43.4 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1849 | S | 24.9 | Very low | 25 | Very low | 98 Ų | 98 | 119.4 Ų | 119.4 | 69% | 0.685 | 75% | 0.752 | S | S | * | * | cis | -166.9 | 168.6 | -8.9 | 48 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1850 | S | 25.2 | Very low | 24.8 | Very low | 104 Ų | 104 | 121.4 Ų | 121.4 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | trans | 55.8 | 144.1 | 144.4 | 58.1 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1851 | S | 23.9 | Very low | 24.8 | Very low | 96 Ų | 96 | 124.8 Ų | 124.8 | 67% | 0.671 | 75% | 0.752 | S | S | * | * | cis | -175.3 | 174.7 | -13.8 | 50.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1852 | L | 24.3 | Very low | 24.8 | Very low | 141 Ų | 141 | 122.2 Ų | 122.2 | 74% | 0.738 | 74% | 0.74 | S | S | * | * | trans | 70.9 | 151.5 | 172.8 | -45.5 | 173.6 | 0 | 0 | 0 | 114.9 | ||||
| 1853 | F | 27.9 | Very low | 24.7 | Very low | 188 Ų | 188 | 123.7 Ų | 123.7 | 83% | 0.825 | 75% | 0.746 | S | S | * | * | cis | -126 | 163.5 | 7.6 | -107.1 | -79.2 | 0 | 0 | 0 | 113.3 | ||||
| 1854 | S | 22.4 | Very low | 24.8 | Very low | 94 Ų | 94 | 122.5 Ų | 122.5 | 66% | 0.657 | 74% | 0.743 | S | S | * | * | trans | -79.2 | 149.2 | 176.5 | 55.6 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1855 | T | 29 | Very low | 25 | Very low | 148 Ų | 148 | 120.3 Ų | 120.3 | 91% | 0.908 | 74% | 0.737 | S | S | * | * | -163.5 | 143.4 | 125.8 | 7.7 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 1856 | S | 24.2 | Very low | 24.8 | Very low | 109 Ų | 109 | 119.9 Ų | 119.9 | 76% | 0.762 | 74% | 0.74 | S | S | * | * | trans | -97.4 | 150.8 | 172.6 | 56 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1857 | L | 26.6 | Very low | 25 | Very low | 169 Ų | 169 | 122.3 Ų | 122.3 | 89% | 0.885 | 74% | 0.743 | S | S | * | * | trans | -153 | 109.7 | 149.9 | -112.5 | 173.5 | 0 | 0 | 0 | 111.9 | ||||
| 1858 | N | 24.3 | Very low | 25 | Very low | 120 Ų | 120 | 123.3 Ų | 123.3 | 64% | 0.642 | 75% | 0.75 | S | S | * | * | trans | -82.6 | 149.4 | 156 | -70 | -34.2 | 0 | 0 | 0 | 108.8 | I1860 | N1858-I1860 HydrophobicContact CB-CD1 4.25Å; N1858-I1860 HydrophobicContact CB-CG1 3.91Å; N1858-I1860 PolarHBondContact O-N 3.49Å | ||
| 1859 | P | 29.1 | Very low | 25 | Very low | 135 Ų | 135 | 123.2 Ų | 123.2 | 88% | 0.877 | 75% | 0.747 | S | S | * | * | trans | -77.9 | 100.2 | 150.2 | 31.7 | -28 | 0 | 0 | 0 | 109.2 | ||||
| 1860 | I | 23.4 | Very low | 25.1 | Very low | 130 Ų | 130 | 128.1 Ų | 128.1 | 67% | 0.667 | 76% | 0.757 | S | S | * | * | trans | -107.3 | 136.2 | 164.5 | -67.7 | 170.7 | 0 | 0 | 0 | 107.6 | N1858 | N1858-I1860 HydrophobicContact CB-CD1 4.25Å; N1858-I1860 HydrophobicContact CB-CG1 3.91Å; N1858-I1860 PolarHBondContact O-N 3.49Å | ||
| 1861 | I | 27.3 | Very low | 25.5 | Very low | 164 Ų | 164 | 127.9 Ų | 127.9 | 84% | 0.841 | 75% | 0.753 | S | S | * | * | trans | 168.2 | 135.2 | 149.9 | -93.5 | 152.5 | 0 | 0 | 0 | 107.6 | ||||
| 1862 | S | 24.8 | Very low | 25.6 | Very low | 88 Ų | 88 | 132.6 Ų | 132.6 | 62% | 0.615 | 76% | 0.757 | S | S | * | * | cis | -165.9 | 159.7 | -22.6 | 58.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1863 | S | 23.3 | Very low | 25.6 | Very low | 104 Ų | 104 | 131.5 Ų | 131.5 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | trans | 43.7 | 142.3 | 142.2 | 70.2 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 1864 | S | 24.4 | Very low | 25.5 | Very low | 96 Ų | 96 | 126.7 Ų | 126.7 | 67% | 0.671 | 75% | 0.747 | S | S | * | * | cis | -170 | 167.4 | 38.9 | 64.8 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1865 | T | 24.9 | Very low | 25.6 | Very low | 109 Ų | 109 | 130 Ų | 130 | 67% | 0.669 | 76% | 0.757 | S | S | * | * | trans | 53 | 117.7 | 144.4 | 51.5 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1866 | S | 21.5 | Very low | 25.5 | Very low | 118 Ų | 118 | 127.9 Ų | 127.9 | 83% | 0.825 | 74% | 0.744 | S | S | * | * | trans | -44.6 | 129.4 | 145 | 51 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1867 | I | 26 | Very low | 25.6 | Very low | 149 Ų | 149 | 128.2 Ų | 128.2 | 76% | 0.764 | 74% | 0.741 | S | S | * | * | trans | -137.6 | 119.5 | 158 | -64.3 | -177.8 | 0 | 0 | 0 | 108.8 | ||||
| 1868 | S | 23.5 | Very low | 25.6 | Very low | 115 Ų | 115 | 127 Ų | 127 | 80% | 0.804 | 74% | 0.736 | S | S | * | * | trans | -96.4 | 134.8 | 151.6 | 55.4 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 1869 | P | 24.7 | Very low | 25.7 | Very low | 113 Ų | 113 | 126.9 Ų | 126.9 | 73% | 0.734 | 74% | 0.739 | S | S | * | * | -148 | 147.5 | 101.1 | 38.4 | -23.1 | 0 | 0 | 0 | 115.8 | |||||
| 1870 | F | 27.5 | Very low | 25.6 | Very low | 200 Ų | 200 | 126.3 Ų | 126.3 | 88% | 0.877 | 73% | 0.733 | S | S | * | * | trans | -78 | 155.5 | 137.8 | -75.1 | -83.8 | 0 | 0 | 0 | 107.6 | ||||
| 1871 | P | 32.2 | Very low | 25.7 | Very low | 100 Ų | 100 | 125.8 Ų | 125.8 | 65% | 0.649 | 74% | 0.736 | S | S | * | * | cis | -138.9 | -148.4 | 32.3 | 41.8 | -19.2 | 0 | 0 | 0 | 111.4 | ||||
| 1872 | Y | 26 | Very low | 25.5 | Very low | 194 Ų | 194 | 122.6 Ų | 122.6 | 76% | 0.761 | 73% | 0.728 | S | S | * | * | cis | -159.3 | 154.8 | 4.7 | -127.9 | -23.7 | 0 | 0 | 0 | 111.3 | T1874 | Y1872-T1874 HydrophobicContact CD1-CG2 3.47Å; Y1872-T1874 VanDerWaalsContact CD1-CG2 3.47Å; Y1872-T1874 HydrophobicContact CD2-CG2 4.39Å; Y1872-T1874 HydrophobicContact CE1-CG2 3.28Å; Y1872-T1874 HydrophobicContact CE2-CG2 4.23Å; Y1872-T1874 HydrophobicContact CG-CG2 4.06Å | ||
| 1873 | S | 24.7 | Very low | 25.4 | Very low | 118 Ų | 118 | 123.9 Ų | 123.9 | 83% | 0.825 | 74% | 0.736 | S | S | * | * | trans | -149.9 | 143.6 | 137.6 | 63.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1874 | T | 25.7 | Very low | 25.4 | Very low | 87 Ų | 87 | 123.5 Ų | 123.5 | 53% | 0.534 | 73% | 0.734 | S | S | . | * | trans | -138.1 | 140.6 | -166.4 | 51.1 | 0 | 0 | 0 | 0 | 113.5 | Y1872 | Y1872-T1874 HydrophobicContact CD1-CG2 3.47Å; Y1872-T1874 VanDerWaalsContact CD1-CG2 3.47Å; Y1872-T1874 HydrophobicContact CD2-CG2 4.39Å; Y1872-T1874 HydrophobicContact CE1-CG2 3.28Å; Y1872-T1874 HydrophobicContact CE2-CG2 4.23Å; Y1872-T1874 HydrophobicContact CG-CG2 4.06Å | ||
| 1875 | L | 25 | Very low | 25.3 | Very low | 164 Ų | 164 | 126.4 Ų | 126.4 | 86% | 0.859 | 74% | 0.742 | S | S | * | * | trans | -126.9 | 109.3 | 142.8 | -71.3 | 169.4 | 0 | 0 | 0 | 105.1 | ||||
| 1876 | T | 25.6 | Very low | 25.3 | Very low | 104 Ų | 104 | 126.8 Ų | 126.8 | 64% | 0.638 | 74% | 0.743 | S | S | * | * | 57.3 | 120.4 | 79.6 | 68.9 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 1877 | T | 27.6 | Very low | 25.4 | Very low | 115 Ų | 115 | 129.7 Ų | 129.7 | 71% | 0.706 | 74% | 0.741 | S | S | * | * | cis | -150.1 | 164.7 | 21 | 52 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1878 | N | 26.5 | Very low | 25.3 | Very low | 144 Ų | 144 | 129.1 Ų | 129.1 | 77% | 0.77 | 74% | 0.74 | S | S | * | * | trans | 52.6 | 149.6 | 133.3 | -67.6 | 8.6 | 0 | 0 | 0 | 122.2 | ||||
| 1879 | V | 27.1 | Very low | 25.3 | Very low | 118 Ų | 118 | 129 Ų | 129 | 72% | 0.715 | 74% | 0.738 | S | S | * | * | cis | -168.8 | 151.4 | -20.6 | 104.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1880 | V | 26.8 | Very low | 25.2 | Very low | 122 Ų | 122 | 127.6 Ų | 127.6 | 74% | 0.739 | 73% | 0.731 | S | S | * | * | trans | 65.4 | 121.5 | 155.8 | 162 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1881 | T | 24.3 | Very low | 25.1 | Very low | 119 Ų | 119 | 128.2 Ų | 128.2 | 73% | 0.73 | 73% | 0.73 | S | S | * | * | trans | -16 | 158.2 | 139 | 41.7 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1882 | S | 24.1 | Very low | 24.7 | Very low | 98 Ų | 98 | 129.6 Ų | 129.6 | 69% | 0.685 | 73% | 0.731 | S | S | * | * | cis | -178.6 | 166.9 | 6.3 | 40.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 1883 | C | 22 | Very low | 24.6 | Very low | 115 Ų | 115 | 127.4 Ų | 127.4 | 78% | 0.777 | 73% | 0.729 | S | S | * | * | trans | 75.2 | 120.5 | 155 | -65.6 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1884 | S | 23 | Very low | 24.5 | Very low | 96 Ų | 96 | 131.5 Ų | 131.5 | 67% | 0.671 | 73% | 0.732 | S | S | * | * | trans | 61.5 | 105.6 | 137.1 | 61.9 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 1885 | N | 23.4 | Very low | 24.5 | Very low | 157 Ų | 157 | 135.7 Ų | 135.7 | 84% | 0.84 | 75% | 0.746 | S | S | * | * | trans | 65.6 | 157.1 | 135.6 | -49.4 | -11.8 | 0 | 0 | 0 | 117 | ||||
| 1886 | V | 24.1 | Very low | 24.7 | Very low | 116 Ų | 116 | 134.5 Ų | 134.5 | 70% | 0.703 | 74% | 0.74 | S | S | * | * | cis | -156.6 | 137.3 | 35.7 | 168.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1887 | K | 24 | Very low | 24.9 | Very low | 180 Ų | 180 | 136 Ų | 136 | 78% | 0.783 | 75% | 0.745 | S | S | * | * | trans | 60.8 | 164.2 | 162.9 | -69.9 | 179.4 | 179.1 | -179.3 | 0 | 117 | ||||
| 1888 | D | 23.3 | Very low | 24.8 | Very low | 137 Ų | 137 | 136.8 Ų | 136.8 | 73% | 0.733 | 74% | 0.744 | S | S | * | * | cis | 176 | 158.4 | -16.2 | -90.2 | -14.5 | 0 | 0 | 0 | 102.4 | ||||
| 1889 | S | 23 | Very low | 24.7 | Very low | 111 Ų | 111 | 137.1 Ų | 137.1 | 78% | 0.776 | 74% | 0.744 | S | S | * | * | cis | -158.8 | -174.4 | -9.8 | 50.6 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1890 | S | 23.8 | Very low | 24.7 | Very low | 84 Ų | 84 | 138.8 Ų | 138.8 | 59% | 0.587 | 75% | 0.749 | S | S | * | * | trans | -63.2 | 149.3 | 179.6 | 53.6 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1891 | Y | 24.7 | Very low | 24.5 | Very low | 214 Ų | 214 | 140.5 Ų | 140.5 | 84% | 0.839 | 75% | 0.751 | S | S | * | * | -166.7 | 179 | 104.8 | -109.5 | -73.8 | 0 | 0 | 0 | 113.1 | |||||
| 1892 | L | 23.6 | Very low | 24.6 | Very low | 129 Ų | 129 | 140.9 Ų | 140.9 | 68% | 0.675 | 75% | 0.749 | S | S | * | * | trans | -94.2 | 160.2 | -162 | -80.2 | 85.8 | 0 | 0 | 0 | 115.3 | ||||
| 1893 | M | 23.6 | Very low | 24.5 | Very low | 148 Ų | 148 | 142.7 Ų | 142.7 | 73% | 0.729 | 75% | 0.751 | S | S | * | * | trans | 63.1 | 122.8 | 144.3 | -79 | 164.4 | 141.7 | 0 | 0 | 119.9 | ||||
| 1894 | K | 24.3 | Very low | 24.6 | Very low | 203 Ų | 203 | 144 Ų | 144 | 88% | 0.883 | 75% | 0.75 | S | S | * | * | trans | -107.3 | 128.8 | 130.2 | -73.9 | -176.1 | 174.5 | -178.3 | 0 | 108 | ||||
| 1895 | E | 25.6 | Very low | 24.7 | Very low | 175 Ų | 175 | 144.9 Ų | 144.9 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | trans | -77.9 | 162 | 156.6 | -70.7 | -168.9 | 129.4 | 0 | 0 | 109.4 | ||||
| 1896 | N | 28 | Very low | 24.7 | Very low | 140 Ų | 140 | 143.7 Ų | 143.7 | 75% | 0.749 | 75% | 0.75 | S | S | * | * | trans | -117.3 | 152.5 | -171.4 | -102.9 | -12 | 0 | 0 | 0 | 111.6 | ||||
| 1897 | N | 29.5 | Very low | 24.7 | Very low | 136 Ų | 136 | 145.4 Ų | 145.4 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | trans | 83 | 140.9 | 160.8 | -54.3 | -20.1 | 0 | 0 | 0 | 118.6 | ||||
| 1898 | L | 25.7 | Very low | 24.6 | Very low | 131 Ų | 131 | 145 Ų | 145 | 69% | 0.686 | 75% | 0.751 | S | S | * | * | cis | -168.9 | 142.1 | -18.9 | -112.7 | 167.7 | 0 | 0 | 0 | 107.4 | ||||
| 1899 | L | 24.9 | Very low | 24.6 | Very low | 150 Ų | 150 | 147 Ų | 147 | 79% | 0.785 | 76% | 0.756 | S | S | * | * | trans | 56.1 | 139.5 | 160 | -62.4 | 161.3 | 0 | 0 | 0 | 117.2 | ||||
| 1900 | N | 27.4 | Very low | 24.7 | Very low | 153 Ų | 153 | 149.8 Ų | 149.8 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | cis | -154.3 | -178 | 42.2 | -152.2 | -3.4 | 0 | 0 | 0 | 112.6 | ||||
| 1901 | M | 22.9 | Very low | 24.7 | Very low | 158 Ų | 158 | 150.1 Ų | 150.1 | 78% | 0.778 | 76% | 0.763 | S | S | * | * | trans | -99.2 | 163.2 | -167.4 | -89.6 | -74.2 | -162 | 0 | 0 | 116.7 | ||||
| 1902 | N | 24.7 | Very low | 24.7 | Very low | 128 Ų | 128 | 145 Ų | 145 | 68% | 0.684 | 76% | 0.758 | S | S | * | * | trans | 85.7 | 112 | 156.8 | -64.9 | -11.7 | 0 | 0 | 0 | 121.6 | ||||
| 1903 | N | 22.9 | Very low | 24.8 | Very low | 135 Ų | 135 | 145.4 Ų | 145.4 | 72% | 0.722 | 76% | 0.761 | S | S | * | * | trans | 51 | 109.8 | 131.1 | -55.7 | -0.2 | 0 | 0 | 0 | 120.9 | ||||
| 1904 | N | 24.8 | Very low | 24.9 | Very low | 144 Ų | 144 | 144.5 Ų | 144.5 | 77% | 0.77 | 76% | 0.758 | S | S | * | * | 176.3 | 140.9 | 105.9 | -92.2 | -11.4 | 0 | 0 | 0 | 114.5 | |||||
| 1905 | T | 23.4 | Very low | 25 | Very low | 113 Ų | 113 | 141.8 Ų | 141.8 | 69% | 0.693 | 75% | 0.748 | S | S | * | * | trans | 16 | 148.7 | 137.7 | 63.3 | 0 | 0 | 0 | 0 | 121 | ||||
| 1906 | T | 23.6 | Very low | 25.2 | Very low | 132 Ų | 132 | 139.1 Ų | 139.1 | 81% | 0.81 | 74% | 0.74 | S | S | * | * | cis | -162.7 | -178.7 | 17.6 | -5.9 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1907 | H | 24.5 | Very low | 25.1 | Very low | 153 Ų | 153 | 139 Ų | 139 | 71% | 0.708 | 74% | 0.739 | S | S | * | * | trans | -69.7 | 155.2 | 174 | -90.1 | -132.1 | 0 | 0 | 0 | 117.3 | ||||
| 1908 | E | 23 | Very low | 25 | Very low | 172 Ų | 172 | 138.4 Ų | 138.4 | 80% | 0.804 | 74% | 0.736 | S | S | * | * | trans | 61.8 | -178.8 | 132.7 | -63.8 | 172.5 | 144.3 | 0 | 0 | 122.9 | ||||
| 1909 | E | 22.4 | Very low | 25.2 | Very low | 178 Ų | 178 | 139.3 Ų | 139.3 | 83% | 0.832 | 74% | 0.741 | S | S | * | * | trans | -91.8 | 167.2 | -157.5 | -48.7 | 172.8 | 125 | 0 | 0 | 114.4 | ||||
| 1910 | I | 25.8 | Very low | 25.3 | Very low | 170 Ų | 170 | 138.7 Ų | 138.7 | 87% | 0.872 | 74% | 0.738 | S | S | * | * | 163.9 | 164 | 126 | -84.4 | 163.5 | 0 | 0 | 0 | 111.2 | |||||
| 1911 | S | 23.5 | Very low | 25.2 | Very low | 91 Ų | 91 | 135.7 Ų | 135.7 | 64% | 0.636 | 73% | 0.728 | S | S | * | * | trans | -107.8 | 150.3 | -156.8 | 56.3 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1912 | S | 23.9 | Very low | 25.2 | Very low | 107 Ų | 107 | 135.1 Ų | 135.1 | 75% | 0.748 | 73% | 0.729 | S | S | * | * | trans | 70 | 155.6 | 146.7 | 81.9 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1913 | N | 25.8 | Very low | 25.2 | Very low | 137 Ų | 137 | 134.5 Ų | 134.5 | 73% | 0.733 | 73% | 0.729 | S | S | * | * | cis | -161.6 | 176.1 | -0.4 | -136.4 | 6.9 | 0 | 0 | 0 | 110.2 | ||||
| 1914 | I | 26.5 | Very low | 25.2 | Very low | 129 Ų | 129 | 135.2 Ų | 135.2 | 66% | 0.662 | 73% | 0.733 | S | S | * | * | trans | 70.2 | 134.5 | 157.1 | -76.9 | 158.2 | 0 | 0 | 0 | 115.4 | ||||
| 1915 | H | 26.5 | Very low | 25.3 | Very low | 146 Ų | 146 | 136 Ų | 136 | 68% | 0.676 | 73% | 0.732 | S | S | * | * | cis | -153.6 | 166.8 | -2.3 | -92 | -44.2 | 0 | 0 | 0 | 107 | ||||
| 1916 | D | 28.6 | Very low | 25.3 | Very low | 119 Ų | 119 | 136.6 Ų | 136.6 | 64% | 0.636 | 73% | 0.731 | S | S | * | * | cis | -170.6 | -175.5 | -22.5 | -98.6 | 13.6 | 0 | 0 | 0 | 107.4 | ||||
| 1917 | N | 26 | Very low | 25.4 | Very low | 138 Ų | 138 | 137 Ų | 137 | 74% | 0.738 | 73% | 0.728 | S | S | * | * | trans | 71.5 | 139.6 | 164.2 | -73.6 | 45 | 0 | 0 | 0 | 118.8 | ||||
| 1918 | D | 29.1 | Very low | 25.5 | Very low | 123 Ų | 123 | 136.9 Ų | 136.9 | 66% | 0.658 | 73% | 0.733 | S | S | * | * | cis | -141.9 | 157.8 | 4.6 | -81 | -46.4 | 0 | 0 | 0 | 112.3 | ||||
| 1919 | D | 29.5 | Very low | 25.7 | Very low | 149 Ų | 149 | 134 Ų | 134 | 80% | 0.797 | 73% | 0.731 | S | S | * | * | trans | 52.1 | 149.8 | 148 | -61 | -5.8 | 0 | 0 | 0 | 124.6 | ||||
| 1920 | D | 26.4 | Very low | 25.9 | Very low | 137 Ų | 137 | 133 Ų | 133 | 73% | 0.733 | 73% | 0.731 | S | S | * | * | cis | -164.7 | 170.2 | -34.7 | -159.8 | 8.1 | 0 | 0 | 0 | 110.8 | ||||
| 1921 | C | 25.4 | Very low | 25.9 | Very low | 90 Ų | 90 | 130.4 Ų | 130.4 | 61% | 0.608 | 72% | 0.723 | S | S | * | * | trans | 22.4 | 123.3 | 155.7 | -75.5 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 1922 | N | 22.7 | Very low | 25.9 | Very low | 147 Ų | 147 | 129.9 Ų | 129.9 | 79% | 0.786 | 72% | 0.716 | S | S | * | * | 90.9 | 126.6 | 63 | -101.7 | -26.9 | 0 | 0 | 0 | 116.5 | |||||
| 1923 | V | 24 | Very low | 26 | Very low | 115 Ų | 115 | 130.2 Ų | 130.2 | 70% | 0.697 | 71% | 0.709 | S | S | * | * | trans | 84.6 | 139.2 | 142.5 | 172.1 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1924 | D | 24.3 | Very low | 26 | Very low | 150 Ų | 150 | 127.2 Ų | 127.2 | 80% | 0.802 | 69% | 0.693 | S | S | * | * | trans | 92.1 | 140.4 | 157.1 | -79.5 | -21.6 | 0 | 0 | 0 | 124.9 | ||||
| 1925 | E | 25.6 | Very low | 26 | Very low | 160 Ų | 160 | 127.4 Ų | 127.4 | 75% | 0.748 | 69% | 0.694 | S | S | * | * | trans | 54.8 | 109 | 159 | -63 | -164.3 | 148.9 | 0 | 0 | 124.3 | ||||
| 1926 | N | 23.5 | Very low | 25.9 | Very low | 125 Ų | 125 | 124.2 Ų | 124.2 | 67% | 0.668 | 69% | 0.689 | S | S | * | * | 69.9 | 149.3 | 119.6 | -60.1 | -23.5 | 0 | 0 | 0 | 124.5 | |||||
| 1927 | D | 27.1 | Very low | 25.7 | Very low | 141 Ų | 141 | 124.7 Ų | 124.7 | 75% | 0.754 | 70% | 0.696 | S | S | * | * | trans | 70.5 | 108.1 | 151.6 | -58.6 | -11.2 | 0 | 0 | 0 | 123.3 | ||||
| 1928 | D | 26.2 | Very low | 25.8 | Very low | 150 Ų | 150 | 124.5 Ų | 124.5 | 80% | 0.802 | 70% | 0.699 | S | S | * | * | trans | 88.8 | 140.6 | 132.7 | -81.1 | -17.2 | 0 | 0 | 0 | 124.4 | ||||
| 1929 | C | 26.5 | Very low | 25.7 | Very low | 112 Ų | 112 | 127.4 Ų | 127.4 | 76% | 0.757 | 70% | 0.701 | S | S | * | * | trans | 62.5 | 129.8 | 171.8 | -62.5 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1930 | D | 26.8 | Very low | 25.6 | Very low | 156 Ų | 156 | 125 Ų | 125 | 83% | 0.834 | 69% | 0.693 | S | S | * | * | cis | -138.8 | 153.7 | 7.8 | -107.1 | -36 | 0 | 0 | 0 | 114.1 | ||||
| 1931 | V | 25.4 | Very low | 25.9 | Very low | 116 Ų | 116 | 123.3 Ų | 123.3 | 70% | 0.703 | 69% | 0.693 | S | S | * | * | trans | -104.5 | 142.3 | 179.8 | -166.7 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 1932 | T | 25.3 | Very low | 25.9 | Very low | 81 Ų | 81 | 126 Ų | 126 | 50% | 0.497 | 70% | 0.699 | S | S | . | * | -171.1 | 135.8 | 75.7 | 54 | 0 | 0 | 0 | 0 | 113.5 | T1350 | T1350-T1932 VanDerWaalsContact OG1-CB 3.3Å; T1350-T1932 WeakPolarHBondContact OG1-CB 3.43Å; T1350-T1932 WeakPolarHBondContact OG1-CG2 3.45Å | |||
| 1933 | L | 25.5 | Very low | 26 | Very low | 114 Ų | 114 | 124.7 Ų | 124.7 | 60% | 0.597 | 70% | 0.696 | S | S | * | * | 38.4 | 149.3 | 122.6 | -65.5 | 160.9 | 0 | 0 | 0 | 120.2 | T1350 | T1350-L1933 HydrophobicContact CG2-CD1 3.56Š| |||
| 1934 | N | 25.8 | Very low | 25.9 | Very low | 73 Ų | 73 | 125.7 Ų | 125.7 | 39% | 0.39 | 70% | 0.698 | S | S | . | * | cis | -165.1 | 171.9 | 40.1 | -144.7 | -37.1 | 0 | 0 | 0 | 114.6 | T1348 | T1348-N1934 HydrophobicContact CG2-CB 4.36Š| ||
| 1935 | L | 25.3 | Very low | 25.8 | Very low | 134 Ų | 134 | 125.3 Ų | 125.3 | 70% | 0.702 | 69% | 0.694 | S | S | * | * | trans | -71.5 | 162.5 | 169.6 | -63.8 | 143.5 | 0 | 0 | 0 | 112.4 | T1348 | T1348-L1935 PolarHBondContact OG1-O 2.83Š| ||
| 1936 | S | 25.8 | Very low | 25.7 | Very low | 79 Ų | 79 | 123 Ų | 123 | 55% | 0.552 | 68% | 0.684 | S | S | * | * | 168.2 | 158.7 | 102.1 | 50.2 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 1937 | T | 24.1 | Very low | 25.8 | Very low | 128 Ų | 128 | 124.7 Ų | 124.7 | 79% | 0.785 | 69% | 0.685 | S | S | * | * | trans | -97 | 170.1 | 172.1 | 39.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 1938 | V | 27.2 | Very low | 25.6 | Very low | 134 Ų | 134 | 127.2 Ų | 127.2 | 81% | 0.812 | 69% | 0.69 | S | S | * | * | trans | 81.3 | 132.2 | 171.2 | -168.6 | 0 | 0 | 0 | 0 | 116 | ||||
| 1939 | R | 28 | Very low | 25.5 | Very low | 184 Ų | 184 | 126.7 Ų | 126.7 | 69% | 0.694 | 68% | 0.682 | S | S | * | * | trans | -147.2 | 132.2 | 170.4 | -152.8 | -173.7 | -153 | 170.9 | 11.3 | 110.9 | T1344 | T1344-R1939 PolarHBondContact O-NH1 3.39Å; T1344-R1939 PolarHBondContact O-NH2 3.27Å | ||
| 1940 | P | 26.6 | Very low | 25.5 | Very low | 98 Ų | 98 | 128 Ų | 128 | 64% | 0.636 | 68% | 0.677 | S | S | * | * | trans | -86.3 | 177.2 | 170.2 | 34.2 | -33.4 | 0 | 0 | 0 | 112.7 | ||||
| 1941 | S | 33 | Very low | 25.3 | Very low | 103 Ų | 103 | 127.6 Ų | 127.6 | 72% | 0.72 | 68% | 0.675 | S | S | * | * | trans | -84.7 | 147.1 | -164.4 | 55 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1942 | I | 24.5 | Very low | 25.2 | Very low | 146 Ų | 146 | 130.1 Ų | 130.1 | 75% | 0.749 | 68% | 0.676 | S | S | * | * | trans | -168.7 | 164.3 | 137.3 | -104.6 | 157.7 | 0 | 0 | 0 | 112.5 | ||||
| 1943 | V | 25.1 | Very low | 25.2 | Very low | 119 Ų | 119 | 133.6 Ų | 133.6 | 72% | 0.721 | 69% | 0.691 | S | S | * | * | trans | -67.3 | 142.3 | -173.5 | 175.7 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1944 | N | 22.5 | Very low | 25.2 | Very low | 136 Ų | 136 | 134.6 Ų | 134.6 | 73% | 0.727 | 70% | 0.696 | S | S | * | * | trans | -173.8 | 133.8 | 135.9 | -97.5 | -12.8 | 0 | 0 | 0 | 111.2 | ||||
| 1945 | I | 22.2 | Very low | 25.1 | Very low | 142 Ų | 142 | 138.3 Ų | 138.3 | 73% | 0.728 | 71% | 0.711 | S | S | * | * | 68.3 | 92.2 | 88.5 | -57.9 | -178.7 | 0 | 0 | 0 | 115.4 | |||||
| 1946 | E | 23.3 | Very low | 25 | Very low | 113 Ų | 113 | 137.8 Ų | 137.8 | 53% | 0.528 | 71% | 0.709 | S | S | . | * | trans | 25.3 | 135.3 | 136.7 | -72.9 | 178.9 | -132.4 | 0 | 0 | 124.1 | K1961 | E1946-K1961 IonicContact OE1-NZ 3.91Å; E1946-K1961 PolarHBondContact OE1-NZ 3.47Å; E1946-K1961 IonicContact OE2-NZ 3.78Å | ||
| 1947 | K | 24.9 | Very low | 25.1 | Very low | 159 Ų | 159 | 142.1 Ų | 142.1 | 69% | 0.691 | 73% | 0.726 | S | S | * | * | trans | 93.2 | 121.7 | 134.2 | -81 | 165.4 | 177.7 | 148.4 | 0 | 123.3 | ||||
| 1948 | F | 24.2 | Very low | 25.2 | Very low | 195 Ų | 195 | 142 Ų | 142 | 86% | 0.855 | 73% | 0.725 | S | S | * | * | -127.7 | 137 | 116.2 | -93.3 | -98.8 | 0 | 0 | 0 | 105.4 | |||||
| 1949 | Q | 24.6 | Very low | 25 | Very low | 138 Ų | 138 | 142.5 Ų | 142.5 | 65% | 0.645 | 72% | 0.723 | S | S | * | * | 59.2 | 125.3 | 56.8 | -77.2 | -179.5 | -74 | 0 | 0 | 113.5 | |||||
| 1950 | H | 25.2 | Very low | 24.9 | Very low | 140 Ų | 140 | 140.7 Ų | 140.7 | 65% | 0.648 | 73% | 0.727 | S | S | * | * | cis | -140.1 | 153.2 | -0.1 | -103.2 | -67.9 | 0 | 0 | 0 | 109 | ||||
| 1951 | N | 24.1 | Very low | 24.9 | Very low | 148 Ų | 148 | 143.4 Ų | 143.4 | 79% | 0.791 | 73% | 0.729 | S | S | * | * | -154 | 152.3 | 68.5 | -83 | -47.5 | 0 | 0 | 0 | 109.5 | |||||
| 1952 | K | 23.1 | Very low | 24.4 | Very low | 168 Ų | 168 | 144.6 Ų | 144.6 | 73% | 0.73 | 74% | 0.736 | S | S | * | * | cis | 116.5 | 87.2 | 19 | -175.3 | -169.3 | -179.9 | -176.9 | 0 | 110.6 | ||||
| 1953 | L | 24.6 | Very low | 24.5 | Very low | 155 Ų | 155 | 144 Ų | 144 | 81% | 0.812 | 73% | 0.734 | S | S | * | * | trans | -165.9 | 140.2 | 143.1 | -129.8 | 75.7 | 0 | 0 | 0 | 110 | ||||
| 1954 | L | 26.1 | Very low | 24.5 | Very low | 134 Ų | 134 | 147.4 Ų | 147.4 | 70% | 0.702 | 74% | 0.742 | S | S | * | * | trans | 44.5 | 116.9 | 163.2 | -55.1 | 172.5 | 0 | 0 | 0 | 118.8 | ||||
| 1955 | Q | 23 | Very low | 24.5 | Very low | 152 Ų | 152 | 149 Ų | 149 | 71% | 0.71 | 74% | 0.743 | S | S | * | * | 61.1 | 126.7 | 69.9 | -66.3 | -169.5 | -96.2 | 0 | 0 | 114.3 | |||||
| 1956 | D | 24.1 | Very low | 24.6 | Very low | 123 Ų | 123 | 148.8 Ų | 148.8 | 66% | 0.658 | 75% | 0.748 | S | S | * | * | cis | -153.6 | 138.2 | -6.7 | -91.5 | -42.1 | 0 | 0 | 0 | 110.5 | ||||
| 1957 | N | 26.9 | Very low | 24.6 | Very low | 169 Ų | 169 | 151 Ų | 151 | 90% | 0.904 | 76% | 0.757 | S | S | * | * | trans | 173.5 | 144.1 | 137.4 | -98.1 | -62.3 | 0 | 0 | 0 | 111.9 | ||||
| 1958 | V | 25.2 | Very low | 24.5 | Very low | 127 Ų | 127 | 149.2 Ų | 149.2 | 77% | 0.77 | 76% | 0.764 | S | S | * | * | trans | -94.6 | 128.8 | -168 | 178.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1959 | N | 24.8 | Very low | 24.4 | Very low | 144 Ų | 144 | 144.1 Ų | 144.1 | 77% | 0.77 | 76% | 0.758 | S | S | * | * | trans | -122.7 | 118.1 | 174.9 | -145.7 | -18.8 | 0 | 0 | 0 | 109.7 | K1961 | N1959-K1961 PolarHBondContact O-N 2.95Š| ||
| 1960 | N | 24.8 | Very low | 24.4 | Very low | 145 Ų | 145 | 142.6 Ų | 142.6 | 78% | 0.775 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 121.7 | -171.6 | -78.8 | -24.1 | 0 | 0 | 0 | 111.9 | ||
| 1961 | K | 27.2 | Very low | 24.3 | Very low | 156 Ų | 156 | 147 Ų | 147 | 68% | 0.678 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 138.2 | 161 | -85.5 | -174.3 | 175.9 | -179.5 | 0 | 109.4 | E1946 N1959 N1963 | E1946-K1961 IonicContact OE1-NZ 3.91Å; E1946-K1961 PolarHBondContact OE1-NZ 3.47Å; E1946-K1961 IonicContact OE2-NZ 3.78Å; N1959-K1961 PolarHBondContact O-N 2.95Å; K1961-N1963 PolarHBondContact O-N 2.95Å |
| 1962 | C | 22.9 | Very low | 24.3 | Very low | 128 Ų | 128 | 150.8 Ų | 150.8 | 87% | 0.865 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -70 | 127.3 | 171.6 | -66 | 0 | 0 | 0 | 0 | 110 | ||
| 1963 | N | 26.3 | Very low | 24.3 | Very low | 133 Ų | 133 | 148.9 Ų | 148.9 | 71% | 0.711 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -88.9 | 130 | 163.7 | -79.2 | -19.8 | 0 | 0 | 0 | 109.5 | K1961 F1965 | K1961-N1963 PolarHBondContact O-N 2.95Å; N1963-F1965 HydrophobicContact CB-CD2 3.96Å; N1963-F1965 HydrophobicContact CB-CE2 4.17Å; N1963-F1965 PolarHBondContact O-N 3.36Å |
| 1964 | E | 23.7 | Very low | 24.2 | Very low | 190 Ų | 190 | 146.2 Ų | 146.2 | 89% | 0.888 | 77% | 0.765 | S | S | * | * | trans | -72.4 | 112.2 | 167.2 | -64.4 | -179.6 | 115.6 | 0 | 0 | 109.5 | ||||
| 1965 | F | 23.4 | Very low | 24.1 | Very low | 170 Ų | 170 | 147.4 Ų | 147.4 | 75% | 0.746 | 77% | 0.771 | S | S | * | * | trans | -126.1 | 80.3 | 169.1 | -91.9 | -75.8 | 0 | 0 | 0 | 111.4 | N1963 F1967 | N1963-F1965 HydrophobicContact CB-CD2 3.96Å; N1963-F1965 HydrophobicContact CB-CE2 4.17Å; N1963-F1965 PolarHBondContact O-N 3.36Å; F1965-F1967 PolarHBondContact O-N 3.28Å | ||
| 1966 | T | 24.9 | Very low | 24.2 | Very low | 137 Ų | 137 | 146.6 Ų | 146.6 | 84% | 0.84 | 78% | 0.777 | S | S | * | * | trans | -62.3 | 114.6 | 154.9 | 41.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1967 | F | 22.8 | Very low | 24.2 | Very low | 161 Ų | 161 | 145.3 Ų | 145.3 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | trans | -56.4 | 134.8 | -179.2 | -107.1 | -94.2 | 0 | 0 | 0 | 113.1 | D419 F1965 A1969 | D419-F1967 WeakPolarHBondContact OD1-CE2 3.04Å; D419-F1967 VanDerWaalsContact OD1-CZ 3.3Å; D419-F1967 WeakPolarHBondContact OD1-CZ 3.33Å; F1965-F1967 PolarHBondContact O-N 3.28Å; F1967-A1969 VanDerWaalsContact C-N 3.32Å; F1967-A1969 PolarHBondContact O-N 2.86Å | ||
| 1968 | S | 21.8 | Very low | 24.2 | Very low | 121 Ų | 121 | 143.1 Ų | 143.1 | 85% | 0.846 | 78% | 0.775 | S | S | * | * | trans | -78.9 | 79.7 | 164.5 | -74.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1969 | A | 23.2 | Very low | 24.3 | Very low | 88 Ų | 88 | 143.6 Ų | 143.6 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | trans | -81 | 149.2 | 167.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | F1967 | F1967-A1969 VanDerWaalsContact C-N 3.32Å; F1967-A1969 PolarHBondContact O-N 2.86Å | ||
| 1970 | P | 25.1 | Very low | 24.4 | Very low | 105 Ų | 105 | 142.3 Ų | 142.3 | 68% | 0.682 | 77% | 0.771 | S | S | * | * | -117 | 162.5 | -60 | 36.4 | -29.7 | 0 | 0 | 0 | 110.9 | R1972 | P1970-R1972 PolarHBondContact O-N 3.49Š| |||
| 1971 | R | 23.2 | Very low | 24.5 | Very low | 232 Ų | 232 | 140.9 Ų | 140.9 | 88% | 0.875 | 77% | 0.77 | S | S | * | * | trans | -66.3 | 94.2 | 165.4 | -80.2 | -171.6 | 175.9 | -175.9 | 0 | 109.8 | I1973 | R1971-I1973 VanDerWaalsContact C-N 3.25Å; R1971-I1973 HydrophobicContact CB-CG1 4.22Å; R1971-I1973 PolarHBondContact O-N 3.46Å | ||
| 1972 | R | 24.2 | Very low | 24.4 | Very low | 228 Ų | 228 | 140.4 Ų | 140.4 | 86% | 0.86 | 77% | 0.773 | S | S | * | * | trans | -64.3 | 89.2 | 158.3 | -83.8 | -168.9 | 174.5 | -169.1 | 0.3 | 108.7 | P1970 S1974 | P1970-R1972 PolarHBondContact O-N 3.49Å; R1972-S1974 PolarHBondContact O-N 3.32Å | ||
| 1973 | I | 22.6 | Very low | 24.5 | Very low | 129 Ų | 129 | 142 Ų | 142 | 66% | 0.662 | 77% | 0.772 | S | S | * | * | trans | -77.5 | 73.2 | 165 | -55.2 | -179.6 | 0 | 0 | 0 | 107.5 | R1971 L1975 | R1971-I1973 VanDerWaalsContact C-N 3.25Å; R1971-I1973 HydrophobicContact CB-CG1 4.22Å; R1971-I1973 PolarHBondContact O-N 3.46Å; I1973-L1975 VanDerWaalsContact C-N 3.29Å; I1973-L1975 HydrophobicContact CG2-CB 4.19Å; I1973-L1975 PolarHBondContact O-N 2.8Å | ||
| 1974 | S | 22 | Very low | 24.5 | Very low | 99 Ų | 99 | 142.8 Ų | 142.8 | 69% | 0.692 | 78% | 0.775 | S | S | * | * | trans | -89.9 | 72 | 163.7 | 55 | 0 | 0 | 0 | 0 | 108.3 | R1972 | R1972-S1974 PolarHBondContact O-N 3.32Š| ||
| 1975 | L | 23.6 | Very low | 24.8 | Very low | 158 Ų | 158 | 143.3 Ų | 143.3 | 83% | 0.827 | 78% | 0.775 | S | S | * | * | trans | -115.7 | 66 | 177.1 | -89.3 | 170.6 | 0 | 0 | 0 | 110.9 | I1973 | I1973-L1975 VanDerWaalsContact C-N 3.29Å; I1973-L1975 HydrophobicContact CG2-CB 4.19Å; I1973-L1975 PolarHBondContact O-N 2.8Å | ||
| 1976 | T | 24.4 | Very low | 25.1 | Very low | 136 Ų | 136 | 140.6 Ų | 140.6 | 83% | 0.834 | 78% | 0.777 | S | S | * | * | trans | -137.4 | 137.1 | 154.9 | 46.1 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 1977 | S | 26.1 | Very low | 25 | Very low | 96 Ų | 96 | 141.9 Ų | 141.9 | 67% | 0.671 | 78% | 0.775 | S | S | * | * | cis | -155.2 | 144.5 | -1.1 | 53.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1978 | S | 26.3 | Very low | 25.3 | Very low | 122 Ų | 122 | 141.2 Ų | 141.2 | 85% | 0.853 | 77% | 0.774 | S | S | * | * | trans | -113.5 | 88.5 | 157.4 | 56.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1979 | N | 27.4 | Very low | 25.5 | Very low | 138 Ų | 138 | 143.6 Ų | 143.6 | 74% | 0.738 | 77% | 0.77 | S | S | * | * | trans | -76.3 | 146.9 | 155.4 | -58 | -21.6 | 0 | 0 | 0 | 106.1 | ||||
| 1980 | T | 26.1 | Very low | 25.6 | Very low | 117 Ų | 117 | 146.6 Ų | 146.6 | 72% | 0.718 | 77% | 0.773 | S | S | * | * | cis | -157.1 | 178.5 | 46.1 | 30.8 | 0 | 0 | 0 | 0 | 109.3 | I1982 | T1980-I1982 HydrophobicContact CG2-CD1 4.48Å; T1980-I1982 HydrophobicContact CG2-CG1 4.47Å | ||
| 1981 | P | 26.3 | Very low | 25.4 | Very low | 114 Ų | 114 | 149.7 Ų | 149.7 | 74% | 0.74 | 78% | 0.779 | S | S | * | * | cis | -109.1 | 155.5 | 6.3 | 8.4 | 17.1 | 0 | 0 | 0 | 113.9 | ||||
| 1982 | I | 25.6 | Very low | 25.4 | Very low | 146 Ų | 146 | 148.5 Ų | 148.5 | 75% | 0.749 | 78% | 0.781 | S | S | * | * | 55 | 78.5 | 75.2 | -44.8 | 170.4 | 0 | 0 | 0 | 113.2 | T1980 | T1980-I1982 HydrophobicContact CG2-CD1 4.48Å; T1980-I1982 HydrophobicContact CG2-CG1 4.47Å | |||
| 1983 | I | 26.2 | Very low | 25.4 | Very low | 163 Ų | 163 | 144.1 Ų | 144.1 | 84% | 0.836 | 77% | 0.773 | S | S | * | * | -124.6 | 148 | 129.1 | -66.3 | -174.2 | 0 | 0 | 0 | 106.4 | |||||
| 1984 | N | 25.8 | Very low | 25.5 | Very low | 148 Ų | 148 | 145.8 Ų | 145.8 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | trans | -134 | 164.3 | -172.1 | -150.9 | -6.7 | 0 | 0 | 0 | 110 | ||||
| 1985 | K | 29.8 | Very low | 25.5 | Very low | 201 Ų | 201 | 146.9 Ų | 146.9 | 87% | 0.874 | 78% | 0.784 | S | S | * | * | trans | 83.8 | 134.9 | -165.3 | -57 | 177.9 | 178 | -179.5 | 0 | 113.6 | ||||
| 1986 | S | 28.6 | Very low | 25.6 | Very low | 114 Ų | 114 | 143.8 Ų | 143.8 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | cis | -145.5 | 162.7 | -2 | 60.9 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1987 | M | 24.3 | Very low | 26 | Very low | 163 Ų | 163 | 142.3 Ų | 142.3 | 80% | 0.803 | 77% | 0.774 | S | S | * | * | trans | -59.1 | 168.9 | 153.8 | -65.9 | 153 | 63.5 | 0 | 0 | 109 | ||||
| 1988 | E | 27.8 | Very low | 25.9 | Very low | 147 Ų | 147 | 146.1 Ų | 146.1 | 69% | 0.687 | 79% | 0.786 | S | S | * | * | cis | -173.8 | -175.9 | 47.3 | -160.6 | -176 | -115.5 | 0 | 0 | 110.9 | ||||
| 1989 | K | 26.9 | Very low | 25.9 | Very low | 171 Ų | 171 | 146.4 Ų | 146.4 | 74% | 0.743 | 78% | 0.776 | S | S | * | * | trans | 82.7 | 108.6 | 171.6 | -58.4 | 179.5 | -177.7 | 178.4 | 0 | 113.8 | ||||
| 1990 | N | 24.4 | Very low | 25.8 | Very low | 151 Ų | 151 | 146.2 Ų | 146.2 | 81% | 0.807 | 78% | 0.776 | S | S | * | * | 86.4 | 137 | 59.7 | -72.2 | 8.5 | 0 | 0 | 0 | 112 | |||||
| 1991 | E | 22.2 | Very low | 25.8 | Very low | 171 Ų | 171 | 149.5 Ų | 149.5 | 80% | 0.799 | 78% | 0.78 | S | S | * | * | trans | -63.7 | 156.9 | 178.8 | -54.5 | 164.4 | 126.2 | 0 | 0 | 111.4 | ||||
| 1992 | F | 23.7 | Very low | 25.8 | Very low | 207 Ų | 207 | 149.9 Ų | 149.9 | 91% | 0.908 | 79% | 0.785 | S | S | * | * | -165.3 | 118.7 | 121.5 | -92.7 | -58.1 | 0 | 0 | 0 | 111.6 | |||||
| 1993 | L | 23.7 | Very low | 25.7 | Very low | 135 Ų | 135 | 147.7 Ų | 147.7 | 71% | 0.707 | 79% | 0.789 | S | S | * | * | trans | -101 | 164.6 | 146.5 | -66.7 | 159.4 | 0 | 0 | 0 | 106 | ||||
| 1994 | F | 25.4 | Very low | 25.7 | Very low | 164 Ų | 164 | 147.9 Ų | 147.9 | 72% | 0.719 | 79% | 0.79 | S | S | * | * | cis | -146.6 | 163.6 | 13.3 | -100 | -71.9 | 0 | 0 | 0 | 109 | ||||
| 1995 | S | 22 | Very low | 25.6 | Very low | 122 Ų | 122 | 150 Ų | 150 | 85% | 0.853 | 79% | 0.792 | S | S | * | * | trans | -148 | 115.2 | 150.1 | 64.9 | 0 | 0 | 0 | 0 | 113 | ||||
| 1996 | A | 25.3 | Very low | 25.7 | Very low | 94 Ų | 94 | 145 Ų | 145 | 78% | 0.777 | 78% | 0.78 | S | S | * | * | trans | -142.8 | 164.3 | 161.1 | 0 | 0 | 0 | 0 | 0 | 106 | ||||
| 1997 | P | 31.5 | Very low | 25.5 | Very low | 105 Ų | 105 | 146 Ų | 146 | 68% | 0.682 | 78% | 0.776 | S | S | * | * | cis | -131.1 | -176.2 | 12.2 | 42.5 | -26.7 | 0 | 0 | 0 | 114.6 | ||||
| 1998 | L | 25.5 | Very low | 25.6 | Very low | 176 Ų | 176 | 145.8 Ų | 145.8 | 92% | 0.921 | 77% | 0.774 | S | S | * | * | trans | -128.5 | 152.8 | 151.3 | -90.9 | 171.3 | 0 | 0 | 0 | 109.4 | ||||
| 1999 | I | 25.7 | Very low | 25.4 | Very low | 127 Ų | 127 | 142.7 Ų | 142.7 | 65% | 0.651 | 77% | 0.768 | S | S | * | * | trans | -132.5 | 137.9 | -168.5 | -71.8 | 172.3 | 0 | 0 | 0 | 109.2 | ||||
| 2000 | N | 25.3 | Very low | 25.4 | Very low | 135 Ų | 135 | 142.7 Ų | 142.7 | 72% | 0.722 | 77% | 0.774 | S | S | * | * | trans | 64.1 | 156.7 | 171.1 | -69.1 | -25.3 | 0 | 0 | 0 | 115.4 | ||||
| 2001 | K | 25.2 | Very low | 25.5 | Very low | 186 Ų | 186 | 142.5 Ų | 142.5 | 81% | 0.809 | 77% | 0.769 | S | S | * | * | cis | -159.2 | 129.1 | -12.7 | -120.4 | 172.3 | -176.7 | -177.6 | 0 | 108.3 | ||||
| 2002 | S | 27.2 | Very low | 25.8 | Very low | 122 Ų | 122 | 142.1 Ų | 142.1 | 85% | 0.853 | 77% | 0.772 | S | S | * | * | trans | -170.1 | 137.1 | 139.5 | 50.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 2003 | A | 24.1 | Very low | 25.9 | Very low | 99 Ų | 99 | 139.1 Ų | 139.1 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | trans | -118.1 | 127.8 | 165.8 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 2004 | I | 25.5 | Very low | 26.2 | Very low | 168 Ų | 168 | 140.6 Ų | 140.6 | 86% | 0.862 | 77% | 0.772 | S | S | * | * | trans | -131.5 | 115.2 | 161.9 | -59.1 | -177.3 | 0 | 0 | 0 | 107.6 | ||||
| 2005 | K | 23.1 | Very low | 26.4 | Very low | 191 Ų | 191 | 138.2 Ų | 138.2 | 83% | 0.83 | 77% | 0.767 | S | S | * | * | trans | -108.4 | 164 | 157.7 | -88.6 | -172.3 | 174.5 | -174.7 | 0 | 106.5 | ||||
| 2006 | P | 32.5 | Very low | 26.5 | Very low | 98 Ų | 98 | 140.6 Ų | 140.6 | 64% | 0.636 | 76% | 0.762 | S | S | * | * | cis | -136.6 | -178.4 | -36.3 | 40.5 | -25.9 | 0 | 0 | 0 | 111.2 | ||||
| 2007 | N | 24.3 | Very low | 26.4 | Very low | 133 Ų | 133 | 141.8 Ų | 141.8 | 71% | 0.711 | 76% | 0.76 | S | S | * | * | trans | 64.9 | 155.8 | 159.2 | -65.4 | 15.5 | 0 | 0 | 0 | 116.9 | ||||
| 2008 | Q | 25.7 | Very low | 25.9 | Very low | 160 Ų | 160 | 142.4 Ų | 142.4 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | cis | -143.6 | -178.3 | -13.8 | -128.2 | 159.7 | -52.4 | 0 | 0 | 110.9 | ||||
| 2009 | S | 25 | Very low | 25.8 | Very low | 81 Ų | 81 | 140.6 Ų | 140.6 | 57% | 0.566 | 76% | 0.757 | S | S | * | * | trans | -53.3 | 147.5 | 178.2 | 32.1 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 2010 | I | 25.5 | Very low | 26.4 | Very low | 171 Ų | 171 | 142.1 Ų | 142.1 | 88% | 0.877 | 77% | 0.766 | S | S | * | * | trans | -80.6 | 105.8 | 146.4 | -62.5 | 173.4 | 0 | 0 | 0 | 106.2 | ||||
| 2011 | E | 27.5 | Very low | 27 | Very low | 148 Ų | 148 | 141.2 Ų | 141.2 | 69% | 0.692 | 77% | 0.768 | S | S | * | * | trans | -97.3 | 166.6 | 144.1 | -72.5 | 171.8 | 128.3 | 0 | 0 | 107.6 | ||||
| 2012 | N | 28.6 | Very low | 27 | Very low | 162 Ų | 162 | 139.7 Ų | 139.7 | 87% | 0.866 | 77% | 0.767 | S | S | * | * | trans | -164.9 | 130.9 | 139.2 | -99.2 | -19.1 | 0 | 0 | 0 | 109.1 | ||||
| 2013 | D | 25.8 | Very low | 27 | Very low | 144 Ų | 144 | 138.8 Ų | 138.8 | 77% | 0.77 | 76% | 0.761 | S | S | * | * | trans | -66 | 159.7 | -175.1 | -50.9 | -81.8 | 0 | 0 | 0 | 113.8 | ||||
| 2014 | I | 30.5 | Very low | 27.1 | Very low | 166 Ų | 166 | 142.2 Ų | 142.2 | 85% | 0.851 | 76% | 0.762 | S | S | * | * | trans | -130.7 | 120 | 135.1 | -63.1 | -173.1 | 0 | 0 | 0 | 109.3 | ||||
| 2015 | D | 28.2 | Very low | 27.2 | Very low | 115 Ų | 115 | 140.4 Ų | 140.4 | 62% | 0.615 | 75% | 0.754 | S | S | * | * | trans | 13.9 | 129.6 | 160.2 | -81.9 | -74.5 | 0 | 0 | 0 | 123.1 | ||||
| 2016 | K | 24.5 | Very low | 27.4 | Very low | 171 Ų | 171 | 139.5 Ų | 139.5 | 74% | 0.743 | 75% | 0.752 | S | S | * | * | 47.9 | 125.3 | 125 | -66 | -171.8 | -170.3 | 95.5 | 0 | 121.6 | |||||
| 2017 | V | 22.7 | Very low | 27.2 | Very low | 120 Ų | 120 | 139.2 Ų | 139.2 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | 82.9 | 125 | 128.7 | 171.6 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 2018 | T | 21.8 | Very low | 27.5 | Very low | 118 Ų | 118 | 139.2 Ų | 139.2 | 72% | 0.724 | 75% | 0.753 | S | S | * | * | trans | 56.4 | 112.6 | 164.5 | 47.2 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 2019 | V | 22.6 | Very low | 27.6 | Very low | 137 Ų | 137 | 139.6 Ų | 139.6 | 83% | 0.83 | 76% | 0.755 | S | S | * | * | 48.8 | 114 | 107.9 | 178.3 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 2020 | L | 38.7 | Very low | 27.7 | Very low | 160 Ų | 160 | 140.4 Ų | 140.4 | 84% | 0.838 | 76% | 0.759 | S | S | * | * | trans | -36.7 | 155.7 | 156.6 | -59.8 | 161.8 | 0 | 0 | 0 | 113.9 | ||||
| 2021 | P | 38.5 | Very low | 27.8 | Very low | 116 Ų | 116 | 136.8 Ų | 136.8 | 75% | 0.753 | 75% | 0.749 | S | S | * | * | cis | -139.8 | -145.2 | 36.8 | 37.6 | -13.9 | 0 | 0 | 0 | 114 | ||||
| 2022 | I | 25.4 | Very low | 27.8 | Very low | 153 Ų | 153 | 140 Ų | 140 | 79% | 0.785 | 76% | 0.756 | S | S | * | * | -155.7 | 141.3 | 67.3 | -73.7 | 174.6 | 0 | 0 | 0 | 112.1 | |||||
| 2023 | S | 26.6 | Very low | 27.8 | Very low | 104 Ų | 104 | 137.6 Ų | 137.6 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | trans | 137.4 | 127.9 | 149.2 | 56.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 2024 | M | 26.4 | Very low | 27.9 | Very low | 171 Ų | 171 | 136.1 Ų | 136.1 | 84% | 0.842 | 74% | 0.743 | S | S | * | * | cis | -147.1 | 160.4 | -12.2 | -94 | -164 | -167.9 | 0 | 0 | 110.5 | ||||
| 2025 | N | 27.9 | Very low | 27.7 | Very low | 130 Ų | 130 | 135.1 Ų | 135.1 | 70% | 0.695 | 74% | 0.738 | S | S | * | * | trans | 75.2 | 137.9 | 157.6 | -70.7 | 15.7 | 0 | 0 | 0 | 123.1 | ||||
| 2026 | E | 26.7 | Very low | 27.6 | Very low | 172 Ų | 172 | 135.9 Ų | 135.9 | 80% | 0.804 | 74% | 0.742 | S | S | * | * | trans | 64.2 | 131.6 | 153.7 | -68.8 | 161.4 | -130 | 0 | 0 | 120.9 | ||||
| 2027 | S | 28.3 | Very low | 27.8 | Very low | 91 Ų | 91 | 134.3 Ų | 134.3 | 64% | 0.636 | 74% | 0.742 | S | S | * | * | cis | -173.3 | 145.6 | -33.3 | 40.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 2028 | N | 29.9 | Very low | 27.9 | Very low | 134 Ų | 134 | 135.5 Ų | 135.5 | 72% | 0.717 | 74% | 0.744 | S | S | * | * | trans | 66.1 | 115.1 | 154.3 | -63.1 | -8.2 | 0 | 0 | 0 | 118.8 | ||||
| 2029 | Q | 28.8 | Very low | 28.3 | Very low | 168 Ų | 168 | 136.8 Ų | 136.8 | 79% | 0.785 | 75% | 0.747 | S | S | * | * | 89.2 | 142.8 | 73 | -85.1 | -179.8 | -12.3 | 0 | 0 | 113.6 | |||||
| 2030 | C | 26.7 | Very low | 28.4 | Very low | 98 Ų | 98 | 136.4 Ų | 136.4 | 66% | 0.662 | 74% | 0.74 | S | S | * | * | cis | -135.4 | 159.1 | -4.7 | -86.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 2031 | S | 27.2 | Very low | 28 | Very low | 94 Ų | 94 | 135.9 Ų | 135.9 | 66% | 0.657 | 74% | 0.738 | S | S | * | * | cis | 84.9 | 98.7 | 15.2 | 82.1 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 2032 | Y | 28.4 | Very low | 27.5 | Very low | 217 Ų | 217 | 134.2 Ų | 134.2 | 85% | 0.851 | 73% | 0.729 | S | S | * | * | trans | -126.2 | 105.5 | 161.2 | -88.3 | -71 | 0 | 0 | 0 | 108.2 | ||||
| 2033 | T | 27.7 | Very low | 27.5 | Very low | 110 Ų | 110 | 137.8 Ų | 137.8 | 68% | 0.675 | 74% | 0.735 | S | S | * | * | 70.9 | 135.7 | 100.2 | 57.3 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 2034 | T | 28 | Very low | 27.6 | Very low | 113 Ų | 113 | 135.5 Ų | 135.5 | 69% | 0.693 | 73% | 0.728 | S | S | * | * | cis | -161.5 | 138.9 | 15.3 | 11.9 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 2035 | I | 26.6 | Very low | 27.7 | Very low | 145 Ų | 145 | 132.5 Ų | 132.5 | 74% | 0.744 | 72% | 0.723 | S | S | * | * | 62.7 | 126.8 | 84.8 | -69.5 | 172.6 | 0 | 0 | 0 | 111.8 | |||||
| 2036 | N | 26.5 | Very low | 27.7 | Very low | 131 Ų | 131 | 132.1 Ų | 132.1 | 70% | 0.701 | 73% | 0.726 | S | S | * | * | cis | -164.5 | -176.2 | 11.4 | -135.9 | 36.7 | 0 | 0 | 0 | 115.5 | ||||
| 2037 | N | 29.4 | Very low | 27.6 | Very low | 139 Ų | 139 | 128.4 Ų | 128.4 | 74% | 0.743 | 72% | 0.719 | S | S | * | * | trans | 97.2 | 142.9 | 150 | -72.8 | 4.1 | 0 | 0 | 0 | 121.3 | ||||
| 2038 | N | 24.2 | Very low | 27.6 | Very low | 144 Ų | 144 | 130.9 Ų | 130.9 | 77% | 0.77 | 73% | 0.725 | S | S | * | * | trans | -109.5 | 164.8 | 175.2 | -51.2 | -48.3 | 0 | 0 | 0 | 110.5 | ||||
| 2039 | D | 29.3 | Very low | 27.3 | Very low | 145 Ų | 145 | 128.9 Ų | 128.9 | 78% | 0.775 | 72% | 0.722 | S | S | * | * | -173.6 | 126.4 | 124 | -90.6 | -31.9 | 0 | 0 | 0 | 106.7 | |||||
| 2040 | N | 25.7 | Very low | 27.3 | Very low | 130 Ų | 130 | 127.2 Ų | 127.2 | 70% | 0.695 | 72% | 0.718 | S | S | * | * | 88.9 | 144.4 | 62.8 | -83 | -37.4 | 0 | 0 | 0 | 114.2 | |||||
| 2041 | D | 29.4 | Very low | 27.2 | Very low | 149 Ų | 149 | 130.8 Ų | 130.8 | 80% | 0.797 | 73% | 0.725 | S | S | * | * | trans | 68.5 | 152 | 168.2 | -62.7 | -19.5 | 0 | 0 | 0 | 122 | ||||
| 2042 | S | 27.6 | Very low | 27.2 | Very low | 80 Ų | 80 | 134.3 Ų | 134.3 | 56% | 0.559 | 74% | 0.735 | S | S | * | * | cis | -168.7 | 154.5 | -35.5 | 67.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 2043 | Y | 26.7 | Very low | 27 | Very low | 229 Ų | 229 | 131.7 Ų | 131.7 | 90% | 0.898 | 73% | 0.733 | S | S | * | * | trans | 52 | 158.6 | 159.5 | -62.7 | -66.1 | 0 | 0 | 0 | 121.1 | ||||
| 2044 | G | 28.1 | Very low | 26.9 | Very low | 56 Ų | 56 | 133.7 Ų | 133.7 | 58% | 0.577 | 74% | 0.74 | S | S | * | * | cis | -139.6 | 162.3 | 3.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 2045 | S | 27.8 | Very low | 26.8 | Very low | 108 Ų | 108 | 134.1 Ų | 134.1 | 76% | 0.755 | 74% | 0.742 | S | S | * | * | 71.7 | 132.7 | 67.7 | 82.7 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 2046 | T | 28.5 | Very low | 26.7 | Very low | 121 Ų | 121 | 133.1 Ų | 133.1 | 74% | 0.742 | 75% | 0.748 | S | S | * | * | cis | -156.9 | 134.2 | 16.5 | 28.6 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 2047 | S | 24.9 | Very low | 26.7 | Very low | 95 Ų | 95 | 136 Ų | 136 | 66% | 0.664 | 75% | 0.754 | S | S | * | * | 81.7 | 148.8 | 71.6 | 87.4 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 2048 | N | 27.9 | Very low | 26.4 | Very low | 142 Ų | 142 | 137 Ų | 137 | 76% | 0.759 | 76% | 0.758 | S | S | * | * | trans | 107.8 | 111.4 | 175.9 | -57.2 | 8.6 | 0 | 0 | 0 | 112.6 | ||||
| 2049 | S | 24.3 | Very low | 26.3 | Very low | 93 Ų | 93 | 139.3 Ų | 139.3 | 65% | 0.65 | 76% | 0.757 | S | S | * | * | 79.8 | 140.5 | 57.9 | 88.1 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 2050 | D | 28.2 | Very low | 26 | Very low | 133 Ų | 133 | 140.5 Ų | 140.5 | 71% | 0.711 | 76% | 0.756 | S | S | * | * | cis | -136.1 | 139.5 | 20.1 | -70.6 | -71.1 | 0 | 0 | 0 | 112.7 | ||||
| 2051 | Q | 25.2 | Very low | 25.9 | Very low | 172 Ų | 172 | 142.1 Ų | 142.1 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | 42 | 120.6 | 103.2 | -58.1 | -165.5 | 10.5 | 0 | 0 | 119.2 | |||||
| 2052 | L | 27.1 | Very low | 25.7 | Very low | 168 Ų | 168 | 142 Ų | 142 | 88% | 0.88 | 76% | 0.761 | S | S | * | * | -173.1 | 145 | 105.6 | -106.3 | 162.2 | 0 | 0 | 0 | 113.6 | |||||
| 2053 | M | 24.2 | Very low | 25.6 | Very low | 162 Ų | 162 | 145.3 Ų | 145.3 | 80% | 0.798 | 77% | 0.771 | S | S | * | * | trans | -100.4 | 146.7 | 165.9 | -72.1 | -176.3 | 172.5 | 0 | 0 | 110.1 | ||||
| 2054 | N | 26 | Very low | 25.6 | Very low | 153 Ų | 153 | 140.4 Ų | 140.4 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | -172.8 | -179.1 | 102.8 | -116.9 | -53.7 | 0 | 0 | 0 | 114.9 | |||||
| 2055 | T | 25.7 | Very low | 25.7 | Very low | 122 Ų | 122 | 143.9 Ų | 143.9 | 75% | 0.748 | 77% | 0.766 | S | S | * | * | trans | -114.4 | 172.4 | -162.7 | 62.1 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 2056 | S | 23.8 | Very low | 25.7 | Very low | 123 Ų | 123 | 144 Ų | 144 | 86% | 0.86 | 76% | 0.762 | S | S | * | * | trans | 108.8 | 166.3 | 157.2 | 82.5 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 2057 | K | 25.9 | Very low | 26 | Very low | 192 Ų | 192 | 143.9 Ų | 143.9 | 84% | 0.835 | 76% | 0.764 | S | S | * | * | trans | -108.8 | 154.6 | -156.5 | -55.7 | 170.1 | 179.2 | 174.5 | 0 | 112.1 | ||||
| 2058 | I | 23.3 | Very low | 26 | Very low | 159 Ų | 159 | 144.3 Ų | 144.3 | 82% | 0.815 | 77% | 0.766 | S | S | * | * | -176.9 | 155.8 | 120 | -95.1 | 155.4 | 0 | 0 | 0 | 111.5 | |||||
| 2059 | Y | 22.3 | Very low | 26 | Very low | 194 Ų | 194 | 144.9 Ų | 144.9 | 76% | 0.761 | 77% | 0.769 | S | S | * | * | trans | -41.1 | 156.7 | 174.7 | -60.8 | -102.9 | 0 | 0 | 0 | 115.2 | ||||
| 2060 | F | 22.8 | Very low | 26.1 | Very low | 169 Ų | 169 | 145.2 Ų | 145.2 | 74% | 0.741 | 77% | 0.767 | S | S | * | * | -175.5 | 154.7 | 51.6 | -127.8 | -63.7 | 0 | 0 | 0 | 112.9 | |||||
| 2061 | M | 23.9 | Very low | 26 | Very low | 165 Ų | 165 | 148.1 Ų | 148.1 | 81% | 0.813 | 77% | 0.773 | S | S | * | * | trans | 78.4 | 137.8 | 149.6 | -101.8 | 153.7 | -171.8 | 0 | 0 | 122.5 | ||||
| 2062 | D | 24.9 | Very low | 25.9 | Very low | 147 Ų | 147 | 144 Ų | 144 | 79% | 0.786 | 77% | 0.768 | S | S | * | * | trans | -107.6 | 170.1 | -173.4 | -38.4 | -101.2 | 0 | 0 | 0 | 112.9 | ||||
| 2063 | L | 26.3 | Very low | 26 | Very low | 149 Ų | 149 | 141.2 Ų | 141.2 | 78% | 0.78 | 76% | 0.76 | S | S | * | * | trans | 170.1 | 151.6 | 134.1 | -87.5 | 158.9 | 0 | 0 | 0 | 107.5 | ||||
| 2064 | D | 27.2 | Very low | 25.9 | Very low | 125 Ų | 125 | 140 Ų | 140 | 67% | 0.668 | 76% | 0.756 | S | S | * | * | cis | -151.1 | 168 | 40.1 | -117.6 | -38.1 | 0 | 0 | 0 | 113.9 | ||||
| 2065 | N | 30 | Very low | 25.9 | Very low | 129 Ų | 129 | 141 Ų | 141 | 69% | 0.69 | 75% | 0.754 | S | S | * | * | trans | 58.7 | 101.2 | 166.6 | -61.4 | -46.8 | 0 | 0 | 0 | 117.8 | ||||
| 2066 | T | 27.8 | Very low | 25.7 | Very low | 112 Ų | 112 | 141 Ų | 141 | 69% | 0.687 | 75% | 0.753 | S | S | * | * | cis | 63.7 | 158 | 45.7 | 94.4 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 2067 | P | 34 | Very low | 26.3 | Very low | 118 Ų | 118 | 140.5 Ų | 140.5 | 77% | 0.766 | 75% | 0.747 | S | S | * | * | cis | -106.1 | -163.1 | -8.6 | 3.9 | 21.9 | 0 | 0 | 0 | 111.2 | ||||
| 2068 | S | 26.1 | Very low | 26.4 | Very low | 103 Ų | 103 | 137.5 Ų | 137.5 | 72% | 0.72 | 75% | 0.747 | S | S | * | * | cis | -179.9 | 165.9 | -32.4 | 65.7 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 2069 | L | 26.4 | Very low | 26.4 | Very low | 154 Ų | 154 | 139.8 Ų | 139.8 | 81% | 0.806 | 75% | 0.751 | S | S | * | * | cis | -166.9 | -173.3 | -20 | -101.4 | 171.4 | 0 | 0 | 0 | 104.7 | ||||
| 2070 | T | 26.4 | Very low | 26.6 | Very low | 101 Ų | 101 | 137.9 Ų | 137.9 | 62% | 0.62 | 75% | 0.753 | S | S | * | * | cis | -160.8 | 162.6 | 11.9 | -16.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 2071 | K | 26.2 | Very low | 26.9 | Very low | 193 Ų | 193 | 137.5 Ų | 137.5 | 84% | 0.839 | 75% | 0.754 | S | S | * | * | trans | 49.6 | 121.5 | 144.3 | -78.6 | 171 | -174.4 | 178 | 0 | 122.8 | ||||
| 2072 | A | 23 | Very low | 27 | Very low | 85 Ų | 85 | 136.4 Ų | 136.4 | 70% | 0.702 | 75% | 0.751 | S | S | * | * | trans | -71.9 | 172.4 | 135.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 2073 | P | 30.1 | Very low | 27.4 | Very low | 110 Ų | 110 | 135.2 Ų | 135.2 | 71% | 0.714 | 75% | 0.752 | S | S | * | * | cis | -151.3 | -161.5 | 28 | 33.9 | -6.1 | 0 | 0 | 0 | 117 | ||||
| 2074 | I | 22.8 | Very low | 27.4 | Very low | 137 Ų | 137 | 132.3 Ų | 132.3 | 70% | 0.703 | 75% | 0.749 | S | S | * | * | trans | 72.4 | 155.4 | 159.7 | -17.1 | -178.6 | 0 | 0 | 0 | 119 | ||||
| 2075 | F | 24.3 | Very low | 27.7 | Very low | 175 Ų | 175 | 132.4 Ų | 132.4 | 77% | 0.768 | 76% | 0.756 | S | S | * | * | trans | 68 | 126.2 | 174.5 | -66.5 | -84.5 | 0 | 0 | 0 | 115.8 | ||||
| 2076 | T | 21.7 | Very low | 27.6 | Very low | 120 Ų | 120 | 133.5 Ų | 133.5 | 74% | 0.736 | 76% | 0.761 | S | S | * | * | 54 | 137.6 | 58.5 | 37.4 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 2077 | P | 37.9 | Very low | 27.6 | Very low | 114 Ų | 114 | 134.5 Ų | 134.5 | 74% | 0.74 | 76% | 0.761 | S | S | * | * | trans | -101.9 | 159.2 | -151.7 | 38.8 | -36.6 | 0 | 0 | 0 | 115 | ||||
| 2078 | P | 26.6 | Very low | 27.5 | Very low | 129 Ų | 129 | 134.4 Ų | 134.4 | 84% | 0.838 | 76% | 0.755 | S | S | * | * | trans | -96.4 | 112.6 | 160.8 | 33.7 | -26.6 | 0 | 0 | 0 | 111.6 | ||||
| 2079 | K | 23.5 | Very low | 27.7 | Very low | 207 Ų | 207 | 135.2 Ų | 135.2 | 90% | 0.9 | 75% | 0.747 | S | S | * | * | trans | -112.2 | 106.3 | 154.3 | -124.3 | -162.7 | -175.8 | -171.3 | 0 | 107.1 | ||||
| 2080 | L | 26.9 | Very low | 27.9 | Very low | 153 Ų | 153 | 135.5 Ų | 135.5 | 80% | 0.801 | 75% | 0.747 | S | S | * | * | trans | -163.1 | 142.7 | 171.9 | -94.5 | 164.5 | 0 | 0 | 0 | 105.2 | ||||
| 2081 | Q | 28.8 | Very low | 28.2 | Very low | 161 Ų | 161 | 136.6 Ų | 136.6 | 75% | 0.752 | 75% | 0.745 | S | S | * | * | cis | -154.7 | 144.9 | 8.9 | -164.5 | 155.9 | 1.8 | 0 | 0 | 110.9 | ||||
| 2082 | N | 26.6 | Very low | 28.5 | Very low | 142 Ų | 142 | 131.8 Ų | 131.8 | 76% | 0.759 | 73% | 0.732 | S | S | * | * | trans | -84.3 | 157.2 | 165.9 | -73.3 | -8.1 | 0 | 0 | 0 | 110.5 | ||||
| 2083 | P | 32.6 | Very low | 28.9 | Very low | 123 Ų | 123 | 133.3 Ų | 133.3 | 80% | 0.799 | 73% | 0.729 | S | S | * | * | trans | -110.2 | 115.9 | 133.1 | 32.4 | -25.5 | 0 | 0 | 0 | 109.1 | ||||
| 2084 | A | 26.9 | Very low | 28.8 | Very low | 88 Ų | 88 | 134.8 Ų | 134.8 | 73% | 0.727 | 73% | 0.726 | S | S | * | * | 86.4 | 104 | 68.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 2085 | P | 32.3 | Very low | 29.1 | Very low | 126 Ų | 126 | 133.2 Ų | 133.2 | 82% | 0.818 | 72% | 0.723 | S | S | * | * | trans | -98.6 | 167.4 | 173.5 | 38.7 | -33.6 | 0 | 0 | 0 | 113.2 | ||||
| 2086 | I | 29.4 | Very low | 29.4 | Very low | 152 Ų | 152 | 131.5 Ų | 131.5 | 78% | 0.779 | 72% | 0.72 | S | S | * | * | trans | -134.6 | 121.9 | 171.5 | -69 | -179.9 | 0 | 0 | 0 | 104.9 | ||||
| 2087 | L | 27.6 | Very low | 29.9 | Very low | 133 Ų | 133 | 133.1 Ų | 133.1 | 70% | 0.696 | 72% | 0.719 | S | S | * | * | 61.1 | 140.6 | 89 | -101 | 66.2 | 0 | 0 | 0 | 112.6 | |||||
| 2088 | D | 31.3 | Very low | 29.6 | Very low | 117 Ų | 117 | 132.7 Ų | 132.7 | 63% | 0.626 | 71% | 0.711 | S | S | * | * | cis | -135.9 | 138.8 | 22.6 | -89.5 | -54.6 | 0 | 0 | 0 | 112.2 | ||||
| 2089 | Q | 29.7 | Very low | 29.7 | Very low | 120 Ų | 120 | 133.7 Ų | 133.7 | 56% | 0.561 | 70% | 0.704 | S | S | * | * | 65.1 | 123.7 | 87 | -62.7 | -171 | 64 | 0 | 0 | 116.8 | |||||
| 2090 | I | 31.9 | Very low | 29.7 | Very low | 159 Ų | 159 | 131.7 Ų | 131.7 | 82% | 0.815 | 70% | 0.702 | S | S | * | * | -159.3 | 109.5 | 113.4 | -97.4 | 158.7 | 0 | 0 | 0 | 109.2 | |||||
| 2091 | H | 32.4 | Very low | 29.8 | Very low | 124 Ų | 124 | 130.1 Ų | 130.1 | 57% | 0.574 | 70% | 0.699 | S | S | * | * | trans | 29.6 | 122.5 | 142.6 | -60.3 | -62.4 | 0 | 0 | 0 | 121.1 | ||||
| 2092 | T | 32.5 | Very low | 29.7 | Very low | 93 Ų | 93 | 128.7 Ų | 128.7 | 57% | 0.571 | 70% | 0.697 | S | S | * | * | cis | 80.6 | 135.4 | 39.2 | 75.1 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 2093 | N | 30.9 | Very low | 29.6 | Very low | 117 Ų | 117 | 128 Ų | 128 | 63% | 0.626 | 69% | 0.693 | S | S | * | * | -168.8 | 132.2 | 101.8 | -100.4 | 35.3 | 0 | 0 | 0 | 109.3 | |||||
| 2094 | E | 28.3 | Very low | 29.2 | Very low | 141 Ų | 141 | 129.1 Ų | 129.1 | 66% | 0.659 | 69% | 0.693 | S | S | * | * | 77.6 | 158.8 | 61.1 | -71.1 | -172.7 | 172.8 | 0 | 0 | 112.9 | |||||
| 2095 | T | 28.3 | Very low | 29.4 | Very low | 103 Ų | 103 | 132.3 Ų | 132.3 | 63% | 0.632 | 70% | 0.696 | S | S | * | * | cis | -151.4 | -158.6 | 6.1 | -8.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 2096 | I | 31.9 | Very low | 29.3 | Very low | 140 Ų | 140 | 132.1 Ų | 132.1 | 72% | 0.718 | 69% | 0.688 | S | S | * | * | trans | 87.3 | 95.6 | 158.4 | -50.5 | -169.6 | 0 | 0 | 0 | 113.5 | ||||
| 2097 | H | 30.8 | Very low | 29.4 | Very low | 153 Ų | 153 | 130 Ų | 130 | 71% | 0.708 | 68% | 0.678 | S | S | * | * | 74.9 | 144.9 | 83 | -74.1 | -72.5 | 0 | 0 | 0 | 112.4 | |||||
| 2098 | D | 31.5 | Very low | 29.6 | Very low | 105 Ų | 105 | 130.8 Ų | 130.8 | 56% | 0.561 | 68% | 0.676 | S | S | * | * | cis | -157.7 | 171.9 | 6.2 | -124.2 | -29.5 | 0 | 0 | 0 | 113.4 | ||||
| 2099 | Q | 30 | Very low | 29.4 | Very low | 150 Ų | 150 | 132 Ų | 132 | 70% | 0.701 | 68% | 0.678 | S | S | * | * | trans | 31.3 | 133.2 | 147.1 | -67.6 | 152.2 | 49.7 | 0 | 0 | 120.9 | ||||
| 2100 | L | 23.2 | Very low | 29.3 | Very low | 165 Ų | 165 | 132.6 Ų | 132.6 | 86% | 0.864 | 69% | 0.685 | S | S | * | * | cis | 59.7 | 87.4 | 35.9 | -73.2 | 169.7 | 0 | 0 | 0 | 117 | ||||
| 2101 | T | 29.6 | Very low | 29.3 | Very low | 121 Ų | 121 | 131.5 Ų | 131.5 | 74% | 0.742 | 68% | 0.679 | S | S | * | * | trans | -157.8 | 122.2 | 140.2 | 27 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 2102 | N | 25.5 | Very low | 29 | Very low | 130 Ų | 130 | 130.9 Ų | 130.9 | 70% | 0.695 | 68% | 0.684 | S | S | * | * | 60.6 | 118.7 | 88.3 | -70.4 | -0.1 | 0 | 0 | 0 | 112.3 | |||||
| 2103 | N | 24 | Very low | 29.1 | Very low | 127 Ų | 127 | 131.7 Ų | 131.7 | 68% | 0.679 | 69% | 0.691 | S | S | * | * | cis | 107.6 | 157.7 | 41.1 | -86.1 | 4.5 | 0 | 0 | 0 | 109.3 | ||||
| 2104 | D | 24.7 | Very low | 29 | Very low | 148 Ų | 148 | 137.1 Ų | 137.1 | 79% | 0.791 | 70% | 0.703 | S | S | * | * | trans | 67 | 122.1 | 174.1 | -40.4 | -40.6 | 0 | 0 | 0 | 111.9 | ||||
| 2105 | I | 31.7 | Very low | 28.9 | Very low | 154 Ų | 154 | 136.7 Ų | 136.7 | 79% | 0.79 | 71% | 0.71 | S | S | * | * | -166.3 | 142 | 62.2 | -82.8 | 166.3 | 0 | 0 | 0 | 105.1 | |||||
| 2106 | D | 30.9 | Very low | 28.8 | Very low | 122 Ų | 122 | 135.7 Ų | 135.7 | 65% | 0.652 | 71% | 0.712 | S | S | * | * | cis | -159.4 | 170.2 | -0.4 | -128.7 | -12.3 | 0 | 0 | 0 | 111.2 | ||||
| 2107 | N | 31.5 | Very low | 28.4 | Very low | 109 Ų | 109 | 135.2 Ų | 135.2 | 58% | 0.583 | 72% | 0.715 | S | S | * | * | trans | 23.5 | 143.5 | 142 | -60.4 | -45.1 | 0 | 0 | 0 | 122.1 | ||||
| 2108 | K | 30.8 | Very low | 28.1 | Very low | 149 Ų | 149 | 136.7 Ų | 136.7 | 65% | 0.648 | 72% | 0.719 | S | S | * | * | cis | -164.8 | 156.6 | -4.5 | -112.2 | 176.6 | -170.1 | -107.2 | 0 | 108.5 | ||||
| 2109 | E | 27 | Very low | 27.9 | Very low | 143 Ų | 143 | 136.9 Ų | 136.9 | 67% | 0.668 | 73% | 0.729 | S | S | * | * | 44.3 | 129.9 | 87 | -50.3 | 179.1 | 157.4 | 0 | 0 | 113.1 | |||||
| 2110 | D | 27.5 | Very low | 27.8 | Very low | 132 Ų | 132 | 140.8 Ų | 140.8 | 71% | 0.706 | 74% | 0.737 | S | S | * | * | cis | -166.6 | -170 | 8.2 | -146.8 | -21 | 0 | 0 | 0 | 113.6 | ||||
| 2111 | I | 32.2 | Very low | 28 | Very low | 136 Ų | 136 | 141.7 Ų | 141.7 | 70% | 0.697 | 73% | 0.734 | S | S | * | * | trans | 78.8 | 83.9 | 155.2 | -62.5 | 146.1 | 0 | 0 | 0 | 116.3 | ||||
| 2112 | T | 26.5 | Very low | 28 | Very low | 110 Ų | 110 | 144.8 Ų | 144.8 | 68% | 0.675 | 74% | 0.737 | S | S | * | * | 26.8 | 163.3 | 106.2 | 74.1 | 0 | 0 | 0 | 0 | 121 | |||||
| 2113 | P | 34.9 | Very low | 28.2 | Very low | 110 Ų | 110 | 149.4 Ų | 149.4 | 71% | 0.714 | 75% | 0.745 | S | S | * | * | cis | -138.3 | 164.5 | -10.2 | 25.3 | -1 | 0 | 0 | 0 | 117.2 | ||||
| 2114 | R | 28.2 | Very low | 28.5 | Very low | 232 Ų | 232 | 149.3 Ų | 149.3 | 88% | 0.875 | 74% | 0.744 | S | S | * | * | trans | 47.8 | 121 | 138.6 | -71.5 | -173 | 167.6 | 173.9 | -2.3 | 123.4 | ||||
| 2115 | V | 26.9 | Very low | 28.7 | Very low | 132 Ų | 132 | 150.2 Ų | 150.2 | 80% | 0.8 | 74% | 0.744 | S | S | * | * | 95.4 | 133.3 | 118.8 | 168.4 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 2116 | A | 25.2 | Very low | 28.4 | Very low | 82 Ų | 82 | 152 Ų | 152 | 68% | 0.678 | 75% | 0.749 | S | S | * | * | trans | 84.4 | 103.8 | 154.4 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 2117 | V | 24.7 | Very low | 28.7 | Very low | 130 Ų | 130 | 150.8 Ų | 150.8 | 79% | 0.788 | 75% | 0.748 | S | S | * | * | 69.2 | 102.4 | 126.5 | -175.3 | 0 | 0 | 0 | 0 | 120 | |||||
| 2118 | K | 23.7 | Very low | 28.5 | Very low | 183 Ų | 183 | 153.1 Ų | 153.1 | 80% | 0.796 | 75% | 0.754 | S | S | * | * | trans | 57.1 | 92.4 | 141 | -64.3 | -177.6 | 177.9 | -179.8 | 0 | 119.8 | ||||
| 2119 | S | 28 | Very low | 28.3 | Very low | 109 Ų | 109 | 153.4 Ų | 153.4 | 76% | 0.762 | 76% | 0.758 | S | S | * | * | 41.4 | 109.9 | 119.2 | 64.2 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 2120 | R | 26 | Very low | 28.2 | Very low | 232 Ų | 232 | 155.3 Ų | 155.3 | 88% | 0.875 | 76% | 0.764 | S | S | * | * | trans | -159.7 | 148.8 | 161.8 | -102.7 | 157.4 | -178.4 | -167.6 | 0.6 | 107.1 | ||||
| 2121 | K | 29.3 | Very low | 28.1 | Very low | 184 Ų | 184 | 154.9 Ų | 154.9 | 80% | 0.8 | 77% | 0.766 | S | S | * | * | cis | -160.6 | 165.2 | 8.1 | -149.5 | 169.2 | -175.9 | -173.6 | 0 | 109.8 | ||||
| 2122 | K | 28.6 | Very low | 27.9 | Very low | 187 Ų | 187 | 153 Ų | 153 | 81% | 0.813 | 77% | 0.766 | S | S | * | * | trans | -56.7 | 141.2 | 155.2 | -85.5 | -169.3 | 174.4 | -170 | 0 | 110.1 | ||||
| 2123 | R | 29.4 | Very low | 27.9 | Very low | 227 Ų | 227 | 153.5 Ų | 153.5 | 86% | 0.857 | 77% | 0.768 | S | S | * | * | -94.1 | 139.3 | 128.4 | -78.9 | -179.4 | -176.6 | 147.9 | -0.3 | 105.9 | |||||
| 2124 | D | 30.6 | Very low | 27.6 | Very low | 124 Ų | 124 | 157 Ų | 157 | 66% | 0.663 | 78% | 0.775 | S | S | * | * | S | Bend | cis | -123.1 | -147.9 | 11 | -74.6 | -64.1 | 0 | 0 | 0 | 114.3 | ||
| 2125 | H | 29.2 | Very low | 27.4 | Very low | 168 Ų | 168 | 151.3 Ų | 151.3 | 78% | 0.778 | 77% | 0.77 | S | S | * | * | trans | -70.2 | 141.2 | -153.8 | -55.6 | -34.2 | 0 | 0 | 0 | 116.9 | ||||
| 2126 | Q | 25 | Very low | 27.4 | Very low | 191 Ų | 191 | 150.2 Ų | 150.2 | 89% | 0.893 | 77% | 0.769 | S | S | * | * | trans | 59.9 | 173.7 | 143 | -87.6 | 179.5 | -25.9 | 0 | 0 | 118.4 | ||||
| 2127 | P | 37.2 | Very low | 27.6 | Very low | 97 Ų | 97 | 154.4 Ų | 154.4 | 63% | 0.63 | 77% | 0.774 | S | S | * | * | trans | -105.9 | 148.6 | -141.9 | 37.1 | -34.5 | 0 | 0 | 0 | 117.5 | ||||
| 2128 | H | 26.9 | Very low | 27.6 | Very low | 157 Ų | 157 | 155.9 Ų | 155.9 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | 158 | 139.9 | 119.8 | -93.1 | -81.8 | 0 | 0 | 0 | 115 | |||||
| 2129 | H | 28 | Very low | 28.5 | Very low | 155 Ų | 155 | 153.1 Ų | 153.1 | 72% | 0.718 | 78% | 0.775 | S | S | * | * | trans | 64.4 | 127.4 | 153.1 | -68.6 | -57.9 | 0 | 0 | 0 | 126.4 | ||||
| 2130 | K | 25.2 | Very low | 28.4 | Very low | 183 Ų | 183 | 154.7 Ų | 154.7 | 80% | 0.796 | 78% | 0.781 | S | S | * | * | trans | 82.8 | 123.9 | 137.5 | -76.5 | -176.8 | 177.6 | -178.7 | 0 | 123.8 | ||||
| 2131 | T | 25 | Very low | 28.3 | Very low | 123 Ų | 123 | 152.5 Ų | 152.5 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | trans | 67.5 | 112.6 | 137.2 | 51.5 | 0 | 0 | 0 | 0 | 125.8 | ||||
| 2132 | S | 27.2 | Very low | 28.3 | Very low | 98 Ų | 98 | 149.2 Ų | 149.2 | 69% | 0.685 | 78% | 0.78 | S | S | * | * | 73.1 | 123.8 | 124.8 | 64.8 | 0 | 0 | 0 | 0 | 126.5 | |||||
| 2133 | T | 27.5 | Very low | 28.3 | Very low | 119 Ų | 119 | 146 Ų | 146 | 73% | 0.73 | 77% | 0.771 | S | S | * | * | trans | 81.4 | 117.6 | 131.9 | 49.6 | 0 | 0 | 0 | 0 | 126 | ||||
| 2134 | H | 26.9 | Very low | 28.3 | Very low | 185 Ų | 185 | 145.2 Ų | 145.2 | 86% | 0.856 | 77% | 0.774 | S | S | * | * | trans | 70.9 | 115.8 | 134 | -74.4 | -62.1 | 0 | 0 | 0 | 125.8 | ||||
| 2135 | S | 24.9 | Very low | 28.2 | Very low | 111 Ų | 111 | 144.1 Ų | 144.1 | 78% | 0.776 | 77% | 0.768 | S | S | * | * | trans | -168 | 149.6 | 144.2 | 34.9 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 2136 | S | 26.8 | Very low | 28.3 | Very low | 110 Ų | 110 | 143.9 Ų | 143.9 | 77% | 0.769 | 77% | 0.767 | S | S | * | * | cis | 118.7 | 111.3 | 9.1 | 70 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 2137 | Q | 28.6 | Very low | 28.4 | Very low | 169 Ų | 169 | 140.9 Ų | 140.9 | 79% | 0.79 | 76% | 0.756 | S | S | * | * | trans | 36.7 | 132.5 | 159.8 | -73.1 | -177 | -28 | 0 | 0 | 122.8 | ||||
| 2138 | L | 26.2 | Very low | 28 | Very low | 162 Ų | 162 | 143.1 Ų | 143.1 | 85% | 0.848 | 76% | 0.763 | S | S | * | * | trans | 65.2 | 159.2 | 152.9 | -66.7 | 162.9 | 0 | 0 | 0 | 116.6 | ||||
| 2139 | T | 41 | Very low | 28.4 | Very low | 124 Ų | 124 | 146.4 Ų | 146.4 | 76% | 0.761 | 77% | 0.769 | S | S | * | * | trans | -128.8 | 142.6 | -155.1 | 49.8 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 2140 | T | 26.3 | Very low | 28.5 | Very low | 143 Ų | 143 | 145.3 Ų | 145.3 | 88% | 0.877 | 77% | 0.768 | S | S | * | * | trans | 70.2 | 134.5 | 164.2 | 49.5 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 2141 | E | 24 | Very low | 28.5 | Very low | 186 Ų | 186 | 144.3 Ų | 144.3 | 87% | 0.869 | 77% | 0.766 | S | S | * | * | trans | -129.3 | 167.6 | 173.3 | -64.6 | -173.2 | 116.2 | 0 | 0 | 111.5 | ||||
| 2142 | S | 29.3 | Very low | 28.4 | Very low | 114 Ų | 114 | 145.6 Ų | 145.6 | 80% | 0.797 | 76% | 0.763 | S | S | * | * | trans | 68.2 | 166.4 | 154.1 | 79.5 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 2143 | I | 28.8 | Very low | 28.3 | Very low | 121 Ų | 121 | 148 Ų | 148 | 62% | 0.621 | 76% | 0.764 | S | S | * | * | cis | -139.1 | 150.8 | -3.7 | -39.1 | 160.4 | 0 | 0 | 0 | 107.7 | ||||
| 2144 | F | 29.3 | Very low | 28.2 | Very low | 209 Ų | 209 | 150.2 Ų | 150.2 | 92% | 0.917 | 77% | 0.766 | S | S | * | * | trans | 178.7 | 138.3 | 150 | -104.4 | -67.9 | 0 | 0 | 0 | 111.9 | ||||
| 2145 | D | 29.5 | Very low | 28.3 | Very low | 101 Ų | 101 | 147.2 Ų | 147.2 | 54% | 0.54 | 76% | 0.756 | S | S | . | * | -163.7 | 151.6 | -58.2 | -104 | -38.9 | 0 | 0 | 0 | 114 | |||||
| 2146 | H | 30.8 | Very low | 28.5 | Very low | 164 Ų | 164 | 149.1 Ų | 149.1 | 76% | 0.759 | 75% | 0.752 | S | S | * | * | trans | 44.6 | 164.9 | 146.4 | -81.3 | 26.4 | 0 | 0 | 0 | 122.6 | ||||
| 2147 | L | 26.4 | Very low | 28.6 | Very low | 127 Ų | 127 | 153.9 Ų | 153.9 | 67% | 0.665 | 76% | 0.755 | S | S | * | * | cis | -166.3 | 153.1 | -8.1 | -124.7 | 176 | 0 | 0 | 0 | 111 | ||||
| 2148 | N | 28.7 | Very low | 28.7 | Very low | 145 Ų | 145 | 150.4 Ų | 150.4 | 78% | 0.775 | 75% | 0.747 | S | S | * | * | 158.3 | 144.6 | 127.7 | -90.6 | -59.4 | 0 | 0 | 0 | 118.8 | |||||
| 2149 | R | 35.9 | Very low | 28.9 | Very low | 225 Ų | 225 | 147.2 Ų | 147.2 | 85% | 0.849 | 73% | 0.734 | S | S | * | * | trans | 83.1 | 118.3 | 155 | -77.7 | -177.1 | 172.5 | -170.5 | -1.2 | 124.8 | ||||
| 2150 | L | 30.2 | Very low | 28.8 | Very low | 132 Ų | 132 | 148.5 Ų | 148.5 | 69% | 0.691 | 73% | 0.732 | S | S | * | * | 70.9 | 102.5 | 128.7 | -67.9 | 166 | 0 | 0 | 0 | 125.2 | |||||
| 2151 | H | 24.6 | Very low | 29.3 | Very low | 162 Ų | 162 | 148.3 Ų | 148.3 | 75% | 0.75 | 72% | 0.721 | S | S | * | * | trans | 58.4 | 125.5 | 132.3 | -67.3 | -28.8 | 0 | 0 | 0 | 126.8 | ||||
| 2152 | Q | 24 | Very low | 30 | Very low | 150 Ų | 150 | 144 Ų | 144 | 70% | 0.701 | 71% | 0.711 | S | S | * | * | trans | 78.5 | 126.3 | 135 | -75.8 | 175.9 | -84.9 | 0 | 0 | 124.2 | ||||
| 2153 | E | 24.9 | Very low | 30.2 | Very low | 149 Ų | 149 | 146 Ų | 146 | 70% | 0.696 | 71% | 0.711 | S | S | * | * | trans | 72.9 | 115.3 | 138.3 | -71.6 | 168.2 | -140.6 | 0 | 0 | 124 | ||||
| 2154 | Q | 25.7 | Very low | 30.6 | Very low | 166 Ų | 166 | 147 Ų | 147 | 78% | 0.776 | 72% | 0.718 | S | S | * | * | trans | 62.3 | 140.4 | 142.3 | -59.1 | -167.5 | 6.5 | 0 | 0 | 123.7 | ||||
| 2155 | N | 28.5 | Very low | 31 | Very low | 121 Ų | 121 | 145 Ų | 145 | 65% | 0.647 | 71% | 0.714 | S | S | * | * | trans | 86.5 | 121.5 | 145.3 | -80.1 | -50.2 | 0 | 0 | 0 | 123.3 | ||||
| 2156 | H | 29.9 | Very low | 31.3 | Very low | 152 Ų | 152 | 147.8 Ų | 147.8 | 70% | 0.704 | 73% | 0.728 | S | S | * | * | trans | 69.7 | 117.6 | 133.3 | -85 | 70.7 | 0 | 0 | 0 | 122.7 | ||||
| 2157 | Y | 28.6 | Very low | 31 | Very low | 209 Ų | 209 | 146 Ų | 146 | 82% | 0.82 | 72% | 0.724 | S | S | * | * | trans | 64.8 | 158 | 146 | -87.9 | -108.8 | 0 | 0 | 0 | 118.1 | T2159 | Y2157-T2159 PolarHBondContact O-N 2.93Š| ||
| 2158 | P | 30 | Very low | 31 | Very low | 97 Ų | 97 | 147.5 Ų | 147.5 | 63% | 0.63 | 73% | 0.726 | S | S | * | * | trans | -69.3 | 132.9 | 175.3 | 29.1 | -34.5 | 0 | 0 | 0 | 110 | H2160 | P2158-H2160 CarbonylContact C-O 3.57Å; P2158-H2160 WeakPolarHBondContact CA-O 2.98Å; P2158-H2160 VanDerWaalsContact CB-O 3.25Å; P2158-H2160 WeakPolarHBondContact CB-O 3.45Å | ||
| 2159 | T | 31.4 | Very low | 30.9 | Very low | 94 Ų | 94 | 147.2 Ų | 147.2 | 58% | 0.577 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -64.8 | -39.2 | 166.6 | 49.4 | 0 | 0 | 0 | 0 | 111.1 | Y2157 Q2161 | Y2157-T2159 PolarHBondContact O-N 2.93Å; T2159-Q2161 PolarHBondContact OG1-N 3.48Å; T2159-Q2161 PolarHBondContact OG1-OE1 2.67Å |
| 2160 | H | 37.7 | Very low | 30.6 | Very low | 152 Ų | 152 | 142.9 Ų | 142.9 | 70% | 0.704 | 72% | 0.718 | S | S | * | * | S | Bend | cis | 65.3 | -128.1 | -46.5 | 36 | 100.8 | 0 | 0 | 0 | 121.8 | P2158 S2162 | P2158-H2160 CarbonylContact C-O 3.57Å; P2158-H2160 WeakPolarHBondContact CA-O 2.98Å; P2158-H2160 VanDerWaalsContact CB-O 3.25Å; P2158-H2160 WeakPolarHBondContact CB-O 3.45Å; H2160-S2162 PolarHBondContact O-N 3.1Å |
| 2161 | Q | 37 | Very low | 30.7 | Very low | 138 Ų | 138 | 142.3 Ų | 142.3 | 65% | 0.645 | 72% | 0.72 | S | S | * | * | trans | -60 | 113.9 | -157.9 | -66.1 | 102.1 | -21.7 | 0 | 0 | 117.5 | T2159 | T2159-Q2161 PolarHBondContact OG1-N 3.48Å; T2159-Q2161 PolarHBondContact OG1-OE1 2.67Å | ||
| 2162 | S | 38.9 | Very low | 30.6 | Very low | 96 Ų | 96 | 139.9 Ų | 139.9 | 67% | 0.671 | 72% | 0.721 | S | S | * | * | trans | 28.8 | 129.9 | 130.2 | 61.3 | 0 | 0 | 0 | 0 | 123.2 | H2160 | H2160-S2162 PolarHBondContact O-N 3.1Š| ||
| 2163 | I | 33.8 | Very low | 30.7 | Very low | 155 Ų | 155 | 137.2 Ų | 137.2 | 80% | 0.795 | 72% | 0.719 | S | S | * | * | -178.6 | 138.6 | 111.7 | -93.8 | 162.8 | 0 | 0 | 0 | 113 | |||||
| 2164 | D | 37.7 | Very low | 30.7 | Very low | 142 Ų | 142 | 135.9 Ų | 135.9 | 76% | 0.759 | 72% | 0.721 | S | S | * | * | trans | 32.4 | 139.2 | 153.9 | -60.7 | -1 | 0 | 0 | 0 | 127.2 | ||||
| 2165 | M | 37.4 | Very low | 30.7 | Very low | 169 Ų | 169 | 133.6 Ų | 133.6 | 83% | 0.833 | 72% | 0.719 | S | S | * | * | trans | 58.5 | 104.6 | 144.9 | -62.7 | -65.2 | -164.3 | 0 | 0 | 122.6 | ||||
| 2166 | D | 35.4 | Very low | 30.6 | Very low | 159 Ų | 159 | 133.4 Ų | 133.4 | 85% | 0.85 | 73% | 0.727 | S | S | * | * | -136.7 | 146.6 | 111.3 | -82.6 | -43.1 | 0 | 0 | 0 | 105.3 | |||||
| 2167 | D | 25.2 | Very low | 30.3 | Very low | 126 Ų | 126 | 131.1 Ų | 131.1 | 67% | 0.674 | 73% | 0.728 | S | S | * | * | cis | 102 | 136.5 | 25.7 | -146.8 | 18.1 | 0 | 0 | 0 | 113.7 | ||||
| 2168 | F | 25.7 | Very low | 30.2 | Very low | 159 Ų | 159 | 128.8 Ų | 128.8 | 70% | 0.697 | 73% | 0.726 | S | S | * | * | trans | 66 | 137.2 | 178.7 | -74.4 | -98.8 | 0 | 0 | 0 | 122.6 | ||||
| 2169 | D | 26.3 | Very low | 29.9 | Very low | 138 Ų | 138 | 129.6 Ų | 129.6 | 74% | 0.738 | 73% | 0.729 | S | S | * | * | trans | 54.7 | 134.9 | 151.6 | -51.7 | -20.5 | 0 | 0 | 0 | 121.1 | ||||
| 2170 | D | 30.3 | Very low | 29.7 | Very low | 135 Ų | 135 | 131.8 Ų | 131.8 | 72% | 0.722 | 74% | 0.738 | S | S | * | * | cis | -150.9 | 161.2 | 11.3 | -153.2 | -11.2 | 0 | 0 | 0 | 113.6 | ||||
| 2171 | T | 32 | Very low | 29.2 | Very low | 119 Ų | 119 | 128.9 Ų | 128.9 | 73% | 0.73 | 73% | 0.734 | S | S | * | * | trans | 59.5 | 77.9 | 164.6 | 60.8 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 2172 | S | 21.9 | Very low | 28.7 | Very low | 111 Ų | 111 | 126.6 Ų | 126.6 | 78% | 0.776 | 73% | 0.734 | S | S | * | * | -73.8 | 135.8 | 123.2 | 79.9 | 0 | 0 | 0 | 0 | 107 | |||||
| 2173 | S | 26.2 | Very low | 28 | Very low | 95 Ų | 95 | 129 Ų | 129 | 66% | 0.664 | 74% | 0.735 | S | S | * | * | 151.2 | -178.2 | 72.3 | 56 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 2174 | V | 25.6 | Very low | 27.7 | Very low | 120 Ų | 120 | 128 Ų | 128 | 73% | 0.727 | 74% | 0.736 | S | S | * | * | trans | 74.4 | 148.7 | 156 | 176.2 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 2175 | T | 24.8 | Very low | 27.5 | Very low | 119 Ų | 119 | 127 Ų | 127 | 73% | 0.73 | 74% | 0.735 | S | S | * | * | trans | 54.3 | 113 | 169.5 | 41 | 0 | 0 | 0 | 0 | 120.8 | S2177 | T2175-S2177 PolarHBondContact O-N 3.44Š| ||
| 2176 | S | 26.6 | Very low | 26.9 | Very low | 116 Ų | 116 | 130 Ų | 130 | 81% | 0.811 | 74% | 0.737 | S | S | * | * | trans | -40.7 | 124.6 | 133.6 | 52.7 | 0 | 0 | 0 | 0 | 115 | ||||
| 2177 | S | 24.8 | Very low | 26.4 | Very low | 104 Ų | 104 | 131.7 Ų | 131.7 | 73% | 0.727 | 73% | 0.731 | S | S | * | * | trans | -162.8 | 135.1 | 130.6 | 54.4 | 0 | 0 | 0 | 0 | 112 | T2175 | T2175-S2177 PolarHBondContact O-N 3.44Š| ||
| 2178 | M | 24.7 | Very low | 26.4 | Very low | 160 Ų | 160 | 129.8 Ų | 129.8 | 79% | 0.788 | 73% | 0.728 | S | S | * | * | trans | 40.9 | 131.5 | 145.9 | -63.5 | -178.2 | 58.3 | 0 | 0 | 121.3 | ||||
| 2179 | T | 25.1 | Very low | 26.4 | Very low | 114 Ų | 114 | 124.9 Ų | 124.9 | 70% | 0.699 | 71% | 0.711 | S | S | * | * | trans | 61.8 | 135.9 | 145.6 | 49.7 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 2180 | D | 26.8 | Very low | 26.6 | Very low | 140 Ų | 140 | 122.3 Ų | 122.3 | 75% | 0.749 | 69% | 0.691 | S | S | * | * | cis | -145.9 | -179.3 | 31 | -133.3 | -33.1 | 0 | 0 | 0 | 115.3 | ||||
| 2181 | S | 27 | Very low | 26.4 | Very low | 91 Ų | 91 | 119.5 Ų | 119.5 | 64% | 0.636 | 67% | 0.67 | S | S | * | * | trans | 32.4 | 94.1 | 159.2 | 53.6 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 2182 | S | 25.6 | Very low | 26.1 | Very low | 91 Ų | 91 | 117.1 Ų | 117.1 | 64% | 0.636 | 66% | 0.655 | S | S | * | * | 81.8 | 165.5 | 68.4 | 78.3 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 2183 | E | 26 | Very low | 26.4 | Very low | 146 Ų | 146 | 121 Ų | 121 | 68% | 0.682 | 65% | 0.653 | S | S | * | * | trans | 55.7 | 86.1 | 150.6 | -73.3 | 150.6 | 136.7 | 0 | 0 | 120.6 | V2185 | E2183-V2185 WeakPolarHBondContact O-CG2 2.91Š| ||
| 2184 | T | 26 | Very low | 26.7 | Very low | 135 Ų | 135 | 121.6 Ų | 121.6 | 83% | 0.828 | 65% | 0.654 | S | S | * | * | 54.2 | -120.7 | 114.8 | 68.8 | 0 | 0 | 0 | 0 | 117.1 | R2186 | T2184-R2186 PolarHBondContact O-N 2.77Å; T2184-R2186 VanDerWaalsContact O-N 3.08Å | |||
| 2185 | V | 34 | Very low | 27 | Very low | 120 Ų | 120 | 121.7 Ų | 121.7 | 73% | 0.727 | 66% | 0.657 | S | S | * | * | trans | 42.7 | 46.2 | 169.2 | -154.8 | 0 | 0 | 0 | 0 | 116.8 | E2183 | E2183-V2185 WeakPolarHBondContact O-CG2 2.91Š| ||
| 2186 | R | 24.3 | Very low | 27.3 | Very low | 232 Ų | 232 | 126.1 Ų | 126.1 | 88% | 0.875 | 67% | 0.666 | S | S | * | * | trans | -146 | 145.3 | 159.7 | -101.8 | 113.7 | -166.7 | -153.8 | 4.4 | 114.6 | T2184 S2188 | T2184-R2186 PolarHBondContact O-N 2.77Å; T2184-R2186 VanDerWaalsContact O-N 3.08Å; R2186-S2188 PolarHBondContact O-N 3.3Å | ||
| 2187 | R | 25.6 | Very low | 27.7 | Very low | 195 Ų | 195 | 130.9 Ų | 130.9 | 74% | 0.736 | 67% | 0.667 | S | S | * | * | trans | -5.6 | 103.1 | 151.1 | -73.9 | 176.7 | -179.4 | 168.9 | -1.5 | 112.6 | ||||
| 2188 | S | 24.3 | Very low | 28.1 | Very low | 86 Ų | 86 | 134.5 Ų | 134.5 | 60% | 0.601 | 67% | 0.666 | S | S | * | * | 73.5 | 163.7 | 87.6 | 73.3 | 0 | 0 | 0 | 0 | 113.5 | R2186 | R2186-S2188 PolarHBondContact O-N 3.3Š| |||
| 2189 | T | 27 | Very low | 28.5 | Very low | 55 Ų | 55 | 133.2 Ų | 133.2 | 34% | 0.337 | 66% | 0.662 | S | S | . | * | trans | 75.2 | 96.2 | 143 | 45.3 | 0 | 0 | 0 | 0 | 121.3 | D1496 | D1496-T2189 WeakPolarHBondContact OD2-CA 3.39Š| ||
| 2190 | R | 29.1 | Very low | 28.7 | Very low | 85 Ų | 85 | 133 Ų | 133 | 32% | 0.321 | 67% | 0.665 | S | S | . | * | 129.2 | 90.8 | 108.3 | -59 | -97.9 | -155.8 | 169.9 | 11.3 | 120.2 | L1493 D1494 N1495 D1496 N1497 | L1493-R2190 WeakPolarHBondContact O-CG 3.37Å; L1493-R2190 PolarHBondContact O-NE 2.96Å; D1494-R2190 VanDerWaalsContact C-CG 3.47Å; D1494-R2190 VanDerWaalsContact CG-NH2 3.26Å; D1494-R2190 IonicContact OD1-CZ 2.77Å; D1494-R2190 IonicContact OD1-NE 3.09Å; D1494-R2190 IonicContact OD1-NH1 2.76Å; D1494-R2190 IonicContact OD1-NH2 2.63Å; D1494-R2190 PolarHBondContact OD1-NH2 3.23Å; D1494-R2190 IonicContact OD2-CZ 3.63Å; D1494-R2190 IonicContact OD2-NE 3.79Å; D1494-R2190 IonicContact OD2-NH1 2.74Å; D1494-R2190 PolarHBondContact OD2-NH1 3.43Å; D1494-R2190 IonicContact OD2-NH2 2.7Å; D1494-R2190 PolarHBondContact OD2-NH2 3.04Å; N1495-R2190 HydrophobicContact CB-CB 4.01Å; D1496-R2190 VanDerWaalsContact CA-CD 3.49Å; D1496-R2190 HydrophobicContact CB-CB 4.17Å; D1496-R2190 HydrophobicContact CB-CG 3.8Å; D1496-R2190 WeakPolarHBondContact O-CD 3.39Å; D1496-R2190 PolarHBondContact O-NH1 3.27Å; D1496-R2190 WeakPolarHBondContact OD1-CA 3.11Å; D1496-R2190 WeakPolarHBondContact OD2-CA 3.46Å; D1496-R2190 PolarHBondContact OD2-N 3.47Å; N1497-R2190 PolarHBondContact ND2-NH1 2.74Å | |||
| 2191 | R | 26.7 | Very low | 29.2 | Very low | 75 Ų | 75 | 131.9 Ų | 131.9 | 28% | 0.283 | 67% | 0.668 | S | S | . | * | trans | -69.7 | 139.2 | 175.8 | -85 | 166.4 | -86.6 | 125.7 | 179.8 | 118.2 | N1495 D1496 N1498 D1499 | N1495-R2191 CarbonylContact C-O 3.55Å; N1495-R2191 VanDerWaalsContact C-O 3.3Å; N1495-R2191 WeakPolarHBondContact CB-O 3.28Å; N1495-R2191 VanDerWaalsContact O-O 3.07Å; D1496-R2191 WeakPolarHBondContact OD1-CB 3.01Å; D1496-R2191 VanDerWaalsContact OD1-CG 3.29Å; D1496-R2191 WeakPolarHBondContact OD1-CG 3.5Å; D1496-R2191 IonicContact OD1-CZ 2.72Å; D1496-R2191 PolarHBondContact OD1-N 2.71Å; D1496-R2191 IonicContact OD1-NE 3.6Å; D1496-R2191 PolarHBondContact OD1-NE 3.38Å; D1496-R2191 IonicContact OD1-NH1 3.11Å; D1496-R2191 PolarHBondContact OD1-NH1 3.47Å; D1496-R2191 IonicContact OD1-NH2 2.72Å; D1496-R2191 IonicContact OD2-NH1 3.75Å; N1498-R2191 PolarHBondContact ND2-O 3.22Å; D1499-R2191 WeakPolarHBondContact OD2-CB 3.45Å | ||
| 2192 | V | 26.2 | Very low | 29.8 | Very low | 70 Ų | 70 | 132.1 Ų | 132.1 | 42% | 0.424 | 68% | 0.676 | S | S | . | * | trans | 64.7 | 127.5 | 153.3 | 165.1 | 0 | 0 | 0 | 0 | 117.6 | N1495 N1498 D1499 | N1495-V2192 PolarHBondContact OD1-O 2.83Å; N1498-V2192 HydrophobicContact CB-CB 4.24Å; N1498-V2192 HydrophobicContact CB-CG1 4.28Å; N1498-V2192 PolarHBondContact ND2-O 2.96Å; D1499-V2192 WeakPolarHBondContact OD1-CG2 3.25Å; D1499-V2192 WeakPolarHBondContact OD2-CB 3.49Å; D1499-V2192 WeakPolarHBondContact OD2-CG2 3.41Å | ||
| 2193 | R | 27.5 | Very low | 29.8 | Very low | 193 Ų | 193 | 138.5 Ų | 138.5 | 73% | 0.728 | 71% | 0.711 | S | S | * | * | -155.7 | 142.2 | 120.1 | -107.1 | 159.3 | -163.1 | -159.7 | 3.5 | 111.8 | N1498 | N1498-R2193 VanDerWaalsContact OD1-CZ 3.28Å; N1498-R2193 PolarHBondContact OD1-NE 3.46Å; N1498-R2193 PolarHBondContact OD1-NH2 3.22Å | |||
| 2194 | P | 32.1 | Very low | 30 | Very low | 107 Ų | 107 | 138.2 Ų | 138.2 | 70% | 0.695 | 71% | 0.712 | S | S | * | * | trans | -76.1 | 165.7 | 176.6 | 33.1 | -35.5 | 0 | 0 | 0 | 111.6 | ||||
| 2195 | P | 33.7 | Very low | 30.2 | Very low | 121 Ų | 121 | 138.3 Ų | 138.3 | 79% | 0.786 | 71% | 0.706 | S | S | * | * | trans | -92.4 | 160.2 | -158.3 | 35.6 | -37.6 | 0 | 0 | 0 | 115 | ||||
| 2196 | K | 30.6 | Very low | 30 | Very low | 212 Ų | 212 | 139.3 Ų | 139.3 | 92% | 0.922 | 71% | 0.705 | S | S | * | * | trans | -149.8 | 123 | 143.1 | -107 | 166.9 | -173.6 | 179.3 | 0 | 111 | ||||
| 2197 | R | 34 | Very low | 30.4 | Very low | 217 Ų | 217 | 133.9 Ų | 133.9 | 82% | 0.819 | 70% | 0.695 | S | S | * | * | trans | -30.8 | 154.5 | 166.2 | -67.2 | 172.3 | 173.8 | -176 | -3.4 | 115.5 | ||||
| 2198 | Y | 33.6 | Very low | 30.7 | Very low | 180 Ų | 180 | 130.1 Ų | 130.1 | 71% | 0.706 | 69% | 0.692 | S | S | * | * | cis | -158.7 | 157.4 | -0.4 | -119.1 | -53.4 | 0 | 0 | 0 | 109.1 | ||||
| 2199 | D | 32.6 | Very low | 31.1 | Very low | 132 Ų | 132 | 133 Ų | 133 | 71% | 0.706 | 70% | 0.698 | S | S | * | * | trans | 1.1 | 151.3 | 154 | -57.1 | -4.6 | 0 | 0 | 0 | 121.5 | ||||
| 2200 | S | 29.8 | Very low | 31.4 | Very low | 109 Ų | 109 | 138.6 Ų | 138.6 | 76% | 0.762 | 72% | 0.724 | S | S | * | * | cis | -173.3 | 145.4 | -17.2 | 53.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 2201 | S | 37.7 | Very low | 31.6 | Very low | 117 Ų | 117 | 142.7 Ų | 142.7 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | trans | -169 | 120.3 | 165.1 | 59.8 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 2202 | A | 39.1 | Very low | 32 | Very low | 97 Ų | 97 | 148.3 Ų | 148.3 | 80% | 0.802 | 79% | 0.794 | S | S | * | * | trans | 58.7 | 137.2 | 156.3 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 2203 | V | 26.7 | Very low | 32.5 | Very low | 225 Ų | 225 | 155.5 Ų | 155.5 | 100% | 1.364 | 83% | 0.828 | S | S | * | * | trans | 72.6 | 0 | 178.9 | -166.9 | 0 | 0 | 0 | 0 | 114.6 |
Retrieved 2,203 of 2,203 residues in 460.4 ms
(Link to these results)