| 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 | 37.4 | Very low | 58.6 | Low | 247 Ų | 247 | 116.8 Ų | 116.8 | 100% | 1.217 | 69% | 0.69 | S | S | * | * | 0 | 126.8 | 0 | -80 | 166.7 | 159.4 | 0 | 0 | 107.6 | A3 | M1-A3 PolarHBondContact O-N 3.07Š| |||
| 2 | A | 42.2 | Very low | 60.4 | Low | 107 Ų | 107 | 115.3 Ų | 115.3 | 88% | 0.884 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 122.7 | -167.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 3 | A | 52.9 | Low | 62.2 | Low | 86 Ų | 86 | 114.8 Ų | 114.8 | 71% | 0.711 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 137.3 | 163.5 | 0 | 0 | 0 | 0 | 0 | 109 | M1 V5 | M1-A3 PolarHBondContact O-N 3.07Å; A3-V5 PolarHBondContact O-N 3.08Å |
| 4 | P | 54 | Low | 63.8 | Low | 115 Ų | 115 | 109.1 Ų | 109.1 | 75% | 0.747 | 62% | 0.624 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 118 | 173.7 | 28.6 | -31.2 | 0 | 0 | 0 | 108.6 | L6 | P4-L6 PolarHBondContact O-N 3.26Š|
| 5 | V | 49.1 | Very low | 65.3 | Low | 128 Ų | 128 | 105.7 Ų | 105.7 | 78% | 0.776 | 61% | 0.614 | S | S | * | * | trans | -62.6 | 108.1 | 167 | 174.1 | 0 | 0 | 0 | 0 | 106.9 | A3 T7 | A3-V5 PolarHBondContact O-N 3.08Å; V5-T7 VanDerWaalsContact C-N 3.34Å; V5-T7 PolarHBondContact O-N 3.2Å | ||
| 6 | L | 56.1 | Low | 66.9 | Low | 115 Ų | 115 | 103.1 Ų | 103.1 | 60% | 0.602 | 59% | 0.591 | S | S | * | * | trans | -64.2 | 97.9 | 168.9 | -127.2 | 82.4 | 0 | 0 | 0 | 107.1 | P4 A10 | P4-L6 PolarHBondContact O-N 3.26Å; L6-A10 HydrophobicContact CG-CB 4.31Å | ||
| 7 | T | 65.3 | Low | 68.4 | Low | 89 Ų | 89 | 97.9 Ų | 97.9 | 55% | 0.546 | 56% | 0.562 | S | S | . | * | trans | -61.8 | 141.8 | 171.2 | 36.7 | 0 | 0 | 0 | 0 | 108.8 | V5 E9 A10 | V5-T7 VanDerWaalsContact C-N 3.34Å; V5-T7 PolarHBondContact O-N 3.2Å; T7-E9 PolarHBondContact O-N 3.37Å; T7-A10 WeakPolarHBondContact O-CB 3.31Å; T7-A10 PolarHBondContact O-N 3.4Å | ||
| 8 | K | 67.5 | Low | 69.7 | Low | 164 Ų | 164 | 92.5 Ų | 92.5 | 71% | 0.713 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -45 | -32.6 | 179.3 | -172.9 | -178.4 | 171 | -179 | 0 | 113.5 | A10 A11 E12 | K8-A10 PolarHBondContact O-N 2.84Å; K8-A11 WeakPolarHBondContact O-CB 3.33Å; K8-A11 PolarHBondContact O-N 3.39Å; K8-E12 PolarHBondContact O-N 3.34Å |
| 9 | E | 71.9 | Confident | 70.9 | Confident | 151 Ų | 151 | 91.2 Ų | 91.2 | 71% | 0.706 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61 | -37.7 | 176.7 | -158.3 | 168.7 | 95.5 | 0 | 0 | 113.7 | T7 E12 K13 | T7-E9 PolarHBondContact O-N 3.37Å; E9-E12 PolarHBondContact O-N 2.9Å; E9-K13 WeakPolarHBondContact O-CB 3.46Å; E9-K13 PolarHBondContact O-N 3Å |
| 10 | A | 73.5 | Confident | 72 | Confident | 41 Ų | 41 | 86.7 Ų | 86.7 | 34% | 0.339 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -68.1 | -36.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L6 T7 K8 K13 T14 | L6-A10 HydrophobicContact CG-CB 4.31Å; T7-A10 WeakPolarHBondContact O-CB 3.31Å; T7-A10 PolarHBondContact O-N 3.4Å; K8-A10 PolarHBondContact O-N 2.84Å; A10-K13 PolarHBondContact O-N 3.24Å; A10-T14 PolarHBondContact O-N 3.05Å |
| 11 | A | 74.6 | Confident | 73 | Confident | 42 Ų | 42 | 82.7 Ų | 82.7 | 35% | 0.347 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -65.7 | -42.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | K8 K13 T14 A15 | K8-A11 WeakPolarHBondContact O-CB 3.33Å; K8-A11 PolarHBondContact O-N 3.39Å; A11-K13 VanDerWaalsContact C-N 3.31Å; A11-K13 PolarHBondContact O-N 2.97Å; A11-T14 WeakPolarHBondContact O-CG2 3.46Å; A11-T14 PolarHBondContact O-N 3.28Å; A11-A15 WeakPolarHBondContact O-CB 3.45Å; A11-A15 PolarHBondContact O-N 2.94Å |
| 12 | E | 79.6 | Confident | 75.6 | Confident | 98 Ų | 98 | 73.5 Ų | 73.5 | 46% | 0.458 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -67.6 | -33.3 | 175.2 | -71.2 | -180 | 69.5 | 0 | 0 | 112.2 | K8 E9 R16 | K8-E12 PolarHBondContact O-N 3.34Å; E9-E12 PolarHBondContact O-N 2.9Å; E12-R16 WeakPolarHBondContact O-CB 3.46Å; E12-R16 WeakPolarHBondContact O-CG 3.47Å; E12-R16 PolarHBondContact O-N 3Å; E12-R16 PolarHBondContact O-NE 3.42Å |
| 13 | K | 84.1 | Confident | 77.9 | Confident | 110 Ų | 110 | 68.5 Ų | 68.5 | 48% | 0.478 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -68.7 | -44.5 | 175.5 | -162 | 174.3 | -175.5 | -176.6 | 0 | 111.8 | E9 A10 A11 A15 R16 S17 E63 | E9-K13 WeakPolarHBondContact O-CB 3.46Å; E9-K13 PolarHBondContact O-N 3Å; A10-K13 PolarHBondContact O-N 3.24Å; A11-K13 VanDerWaalsContact C-N 3.31Å; A11-K13 PolarHBondContact O-N 2.97Å; K13-A15 PolarHBondContact O-N 3.42Å; K13-R16 CarbonylContact O-C 3.54Å; K13-R16 PolarHBondContact O-N 3.25Å; K13-S17 WeakPolarHBondContact O-CB 3.45Å; K13-S17 PolarHBondContact O-N 2.81Å; K13-S17 VanDerWaalsContact O-N 3.08Å; K13-S17 PolarHBondContact O-OG 3.44Å; K13-E63 WeakPolarHBondContact CD-OE2 3.32Å; K13-E63 WeakPolarHBondContact CE-OE2 3.26Å; K13-E63 WeakPolarHBondContact CG-OE2 3.48Å; K13-E63 IonicContact NZ-OE2 3.9Å |
| 14 | T | 84.5 | Confident | 79.7 | Confident | 35 Ų | 35 | 64.8 Ų | 64.8 | 22% | 0.215 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -66.8 | -35.7 | 175.9 | -169.1 | 0 | 0 | 0 | 0 | 112.2 | A10 A11 R16 S17 A93 | A10-T14 PolarHBondContact O-N 3.05Å; A11-T14 WeakPolarHBondContact O-CG2 3.46Å; A11-T14 PolarHBondContact O-N 3.28Å; T14-R16 PolarHBondContact O-N 3.22Å; T14-S17 PolarHBondContact O-N 2.95Å; T14-S17 VanDerWaalsContact O-O 3.08Å; T14-A93 HydrophobicContact CG2-CB 4.27Å; T14-A93 WeakPolarHBondContact OG1-CA 3.42Å; T14-A93 PolarHBondContact OG1-N 2.97Å |
| 15 | A | 87.2 | Confident | 81.3 | Confident | 57 Ų | 57 | 66.5 Ų | 66.5 | 47% | 0.471 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -65.5 | -26.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | A11 K13 P67 | A11-A15 WeakPolarHBondContact O-CB 3.45Å; A11-A15 PolarHBondContact O-N 2.94Å; K13-A15 PolarHBondContact O-N 3.42Å; A15-P67 HydrophobicContact CB-CB 4.37Å; A15-P67 WeakPolarHBondContact O-CB 3.12Å |
| 16 | R | 90.5 | Very high | 83.1 | Confident | 64 Ų | 64 | 67.8 Ų | 67.8 | 24% | 0.242 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | -3.5 | 174.3 | -75.1 | -173.2 | -67.6 | 157 | 0.8 | 113.8 | E12 K13 T14 Y64 N65 P67 | E12-R16 WeakPolarHBondContact O-CB 3.46Å; E12-R16 WeakPolarHBondContact O-CG 3.47Å; E12-R16 PolarHBondContact O-N 3Å; E12-R16 PolarHBondContact O-NE 3.42Å; K13-R16 CarbonylContact O-C 3.54Å; K13-R16 PolarHBondContact O-N 3.25Å; T14-R16 PolarHBondContact O-N 3.22Å; R16-Y64 WeakPolarHBondContact CB-O 3.43Å; R16-Y64 PolarHBondContact O-N 2.92Å; R16-N65 VanDerWaalsContact CD-O 3.27Å; R16-N65 WeakPolarHBondContact CD-O 3.41Å; R16-P67 HydrophobicContact CG-CB 4Å; R16-P67 HydrophobicContact CG-CG 4.33Å |
| 17 | S | 91.5 | Very high | 84.6 | Confident | 16 Ų | 16 | 62.7 Ų | 62.7 | 11% | 0.112 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 148 | -176.7 | -61.6 | 0 | 0 | 0 | 0 | 111.3 | K13 T14 C62 A92 | K13-S17 WeakPolarHBondContact O-CB 3.45Å; K13-S17 PolarHBondContact O-N 2.81Å; K13-S17 VanDerWaalsContact O-N 3.08Å; K13-S17 PolarHBondContact O-OG 3.44Å; T14-S17 PolarHBondContact O-N 2.95Å; T14-S17 VanDerWaalsContact O-O 3.08Å; S17-C62 CarbonylContact C-O 3.47Å; S17-C62 VanDerWaalsContact CA-O 3.25Å; S17-C62 WeakPolarHBondContact CA-O 3.45Å; S17-A92 WeakPolarHBondContact O-CB 3.32Å; S17-A92 PolarHBondContact O-N 3.43Å |
| 18 | I | 92.7 | Very high | 85.7 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 143.3 | 174.3 | 69.6 | 165.5 | 0 | 0 | 0 | 109.5 | V20 F36 F61 C62 Y64 A70 A73 L74 I89 | I18-V20 HydrophobicContact CD1-CG2 4.09Å; I18-V20 HydrophobicContact CG1-CG2 4.13Å; I18-F36 HydrophobicContact CD1-CD1 3.85Å; I18-F36 HydrophobicContact CD1-CE1 3.79Å; I18-F61 VanDerWaalsContact O-CA 3.32Å; I18-F61 WeakPolarHBondContact O-CA 3.45Å; I18-C62 HydrophobicContact CD1-CB 4.1Å; I18-C62 HydrophobicContact CG1-CB 3.59Å; I18-C62 PolarHBondContact N-O 3Å; I18-C62 PolarHBondContact O-N 3.44Å; I18-Y64 HydrophobicContact CD1-CE2 3.7Å; I18-Y64 HydrophobicContact CG1-CE2 3.92Å; I18-Y64 HydrophobicContact CG2-CD2 4.24Å; I18-Y64 HydrophobicContact CG2-CE2 4.08Å; I18-A70 HydrophobicContact CG2-CB 3.73Å; I18-A73 HydrophobicContact CD1-CB 4.19Å; I18-L74 HydrophobicContact CB-CD1 3.51Å; I18-L74 HydrophobicContact CG2-CD1 3.17Å; I18-I89 HydrophobicContact CB-CG2 4.47Å; I18-I89 HydrophobicContact CD1-CG2 3.93Å |
| 19 | F | 92.9 | Very high | 86.8 | Confident | 68 Ų | 68 | 56.5 Ų | 56.5 | 30% | 0.298 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 135.3 | 169.8 | 169.4 | -95.1 | 0 | 0 | 0 | 109.3 | Y59 F61 I89 G90 | F19-Y59 HydrophobicContact CD2-CD2 4.49Å; F19-Y59 AromaticContact CE2-CD2 3.77Å; F19-Y59 HydrophobicContact CE2-CD2 3.77Å; F19-Y59 HydrophobicContact CE2-CG 4.01Å; F19-Y59 HydrophobicContact CZ-CG 4.49Å; F19-F61 HydrophobicContact CB-CE1 4.43Å; F19-F61 HydrophobicContact CD2-CE1 4.08Å; F19-F61 HydrophobicContact CD2-CZ 4.37Å; F19-I89 CarbonylContact O-C 3.48Å; F19-I89 VanDerWaalsContact O-CA 3.3Å; F19-I89 WeakPolarHBondContact O-CA 3.47Å; F19-G90 PolarHBondContact N-O 3.5Å; F19-G90 PolarHBondContact O-N 3.46Å |
| 20 | V | 92.4 | Very high | 87.8 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 116.5 | 175.7 | -173.1 | 0 | 0 | 0 | 0 | 108.7 | I18 I23 F36 F45 Y59 G60 C62 L87 R88 | I18-V20 HydrophobicContact CD1-CG2 4.09Å; I18-V20 HydrophobicContact CG1-CG2 4.13Å; V20-I23 HydrophobicContact CB-CD1 4.12Å; V20-I23 HydrophobicContact CG1-CD1 3.8Å; V20-I23 HydrophobicContact CG1-CG1 3.88Å; V20-I23 WeakPolarHBondContact O-CD1 3.32Å; V20-F36 HydrophobicContact CB-CE2 4.42Å; V20-F36 HydrophobicContact CB-CZ 4.13Å; V20-F36 HydrophobicContact CG1-CE2 3.87Å; V20-F36 HydrophobicContact CG1-CZ 3.54Å; V20-F36 HydrophobicContact CG2-CE1 3.97Å; V20-F36 HydrophobicContact CG2-CE2 3.84Å; V20-F36 HydrophobicContact CG2-CZ 3.44Å; V20-F36 VanDerWaalsContact CG2-CZ 3.44Å; V20-F45 HydrophobicContact CB-CE2 4.22Å; V20-F45 HydrophobicContact CB-CZ 4.19Å; V20-F45 HydrophobicContact CG2-CE2 3.99Å; V20-F45 HydrophobicContact CG2-CZ 4.45Å; V20-Y59 CarbonylContact O-C 3.51Å; V20-Y59 WeakPolarHBondContact O-CA 3.42Å; V20-Y59 WeakPolarHBondContact O-CB 3.46Å; V20-G60 PolarHBondContact N-O 2.84Å; V20-G60 PolarHBondContact O-N 3.25Å; V20-C62 HydrophobicContact CG2-CB 4.33Å; V20-L87 HydrophobicContact CG1-CB 4.46Å; V20-L87 HydrophobicContact CG1-CD1 4.35Å; V20-R88 CarbonylContact C-O 3.42Å; V20-R88 VanDerWaalsContact CA-O 3.3Å; V20-R88 WeakPolarHBondContact CA-O 3.26Å |
| 21 | G | 92.2 | Very high | 88.6 | Confident | 4 Ų | 4 | 59.7 Ų | 59.7 | 4% | 0.041 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 174.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | I23 G58 R88 | G21-I23 PolarHBondContact O-N 3.26Å; G21-G58 CarbonylContact C-O 3.59Å; G21-R88 PolarHBondContact N-O 3.22Å; G21-R88 PolarHBondContact O-N 3.47Å |
| 22 | N | 92.7 | Very high | 89.4 | Confident | 54 Ų | 54 | 57.7 Ų | 57.7 | 29% | 0.289 | 28% | 0.28 | S | S | . | . | S | Bend | trans | 60 | 29.5 | -175.6 | -159.2 | 38.2 | 0 | 0 | 0 | 113.9 | G58 R85 P86 R88 | N22-G58 PolarHBondContact N-O 3.35Å; N22-R85 PolarHBondContact OD1-NH2 2.82Å; N22-P86 WeakPolarHBondContact CB-O 3.3Å; N22-P86 PolarHBondContact ND2-O 3.47Å; N22-R88 HydrophobicContact CB-CG 4.26Å |
| 23 | I | 91.5 | Very high | 90 | Very high | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.005 | 27% | 0.272 | C | S | . | . | trans | -73.2 | 130.8 | 178.9 | -57.4 | 171.7 | 0 | 0 | 0 | 109 | V20 G21 A27 L32 F45 L47 G58 L87 | V20-I23 HydrophobicContact CB-CD1 4.12Å; V20-I23 HydrophobicContact CG1-CD1 3.8Å; V20-I23 HydrophobicContact CG1-CG1 3.88Å; V20-I23 WeakPolarHBondContact O-CD1 3.32Å; G21-I23 PolarHBondContact O-N 3.26Å; I23-A27 HydrophobicContact CG2-CB 3.45Å; I23-A27 VanDerWaalsContact CG2-CB 3.45Å; I23-L32 HydrophobicContact CD1-CD1 4.17Å; I23-L32 HydrophobicContact CG2-CD1 3.88Å; I23-L32 HydrophobicContact CG2-CD2 4.28Å; I23-F45 HydrophobicContact CD1-CE1 4.29Å; I23-F45 HydrophobicContact CD1-CZ 3.76Å; I23-L47 HydrophobicContact CD1-CD1 3.61Å; I23-L47 HydrophobicContact CG2-CD1 4.19Å; I23-G58 PolarHBondContact N-O 3.46Å; I23-G58 WeakPolarHBondContact O-CA 3.44Å; I23-L87 HydrophobicContact CB-CD2 4.43Å; I23-L87 HydrophobicContact CG1-CD2 4.03Å | ||
| 24 | P | 89.1 | Confident | 90.3 | Very high | 8 Ų | 8 | 57.7 Ų | 57.7 | 5% | 0.052 | 28% | 0.283 | C | S | . | . | trans | -64.5 | 145.3 | 174.2 | 17.9 | -20.6 | 0 | 0 | 0 | 111.7 | E26 A27 F82 N83 | P24-E26 PolarHBondContact O-N 3.01Å; P24-E26 VanDerWaalsContact O-N 3.12Å; P24-A27 HydrophobicContact CG-CB 4.12Å; P24-A27 WeakPolarHBondContact O-CB 3.42Å; P24-A27 PolarHBondContact O-N 2.82Å; P24-F82 HydrophobicContact CG-CD1 3.59Å; P24-F82 HydrophobicContact CG-CE1 4.12Å; P24-N83 HydrophobicContact CG-CB 3.98Å | ||
| 25 | Y | 88.6 | Confident | 90.6 | Very high | 151 Ų | 151 | 57.2 Ų | 57.2 | 59% | 0.592 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -19.2 | -178 | -54.2 | -65.2 | 0 | 0 | 0 | 113.7 | A27 P56 | Y25-A27 VanDerWaalsContact C-N 3.35Å; Y25-P56 HydrophobicContact CD1-CB 4.43Å; Y25-P56 HydrophobicContact CD1-CG 3.99Å; Y25-P56 WeakPolarHBondContact CD1-O 3.44Å; Y25-P56 WeakPolarHBondContact CE1-O 3.27Å |
| 26 | E | 87.4 | Confident | 90.8 | Very high | 156 Ų | 156 | 54.5 Ų | 54.5 | 73% | 0.729 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | -3.9 | 175.2 | -60.9 | 178.9 | 98.5 | 0 | 0 | 113.2 | P24 | P24-E26 PolarHBondContact O-N 3.01Å; P24-E26 VanDerWaalsContact O-N 3.12Å |
| 27 | A | 86.8 | Confident | 90.9 | Very high | 7 Ų | 7 | 54.5 Ų | 54.5 | 6% | 0.058 | 27% | 0.266 | C | S | . | . | trans | -71.4 | 129.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | I23 P24 Y25 L32 F82 | I23-A27 HydrophobicContact CG2-CB 3.45Å; I23-A27 VanDerWaalsContact CG2-CB 3.45Å; P24-A27 HydrophobicContact CG-CB 4.12Å; P24-A27 WeakPolarHBondContact O-CB 3.42Å; P24-A27 PolarHBondContact O-N 2.82Å; Y25-A27 VanDerWaalsContact C-N 3.35Å; A27-L32 HydrophobicContact CB-CD1 4.2Å; A27-L32 HydrophobicContact CB-CG 4.41Å; A27-F82 HydrophobicContact CB-CD1 4.03Å; A27-F82 HydrophobicContact CB-CE1 3.38Å; A27-F82 HydrophobicContact CB-CZ 4.24Å | ||
| 28 | T | 89.3 | Confident | 90.7 | Very high | 56 Ų | 56 | 61.7 Ų | 61.7 | 34% | 0.344 | 30% | 0.295 | S | S | . | . | trans | -93.9 | 150.7 | 169.7 | 58.5 | 0 | 0 | 0 | 0 | 110.3 | E30 K31 L32 | T28-E30 PolarHBondContact O-N 3.46Å; T28-K31 PolarHBondContact O-N 3.4Å; T28-K31 WeakPolarHBondContact OG1-CG 3.27Å; T28-L32 PolarHBondContact O-N 3.3Å | ||
| 29 | E | 90.5 | Very high | 90.5 | Very high | 68 Ų | 68 | 63 Ų | 63 | 32% | 0.318 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -57.2 | -38.1 | 176.7 | -64.4 | 178.4 | 118.9 | 0 | 0 | 110.9 | K31 L32 I33 F45 L47 | E29-K31 PolarHBondContact O-N 3.37Å; E29-L32 PolarHBondContact O-N 3.05Å; E29-I33 WeakPolarHBondContact O-CB 3.04Å; E29-I33 WeakPolarHBondContact O-CD1 3.11Å; E29-I33 WeakPolarHBondContact O-CG1 3.41Å; E29-I33 PolarHBondContact O-N 3.49Å; E29-F45 HydrophobicContact CB-CD1 4.4Å; E29-F45 HydrophobicContact CG-CD1 4.11Å; E29-L47 HydrophobicContact CG-CB 3.96Å; E29-L47 PolarHBondContact OE1-N 3.31Å |
| 30 | E | 91.5 | Very high | 90.3 | Very high | 153 Ų | 153 | 60.4 Ų | 60.4 | 72% | 0.715 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -57 | -46.1 | 176.9 | -63.2 | 174.2 | 98.2 | 0 | 0 | 113.1 | T28 L32 I33 E34 | T28-E30 PolarHBondContact O-N 3.46Å; E30-L32 VanDerWaalsContact C-N 3.34Å; E30-I33 PolarHBondContact O-N 3.02Å; E30-E34 PolarHBondContact O-N 3.36Å |
| 31 | K | 91 | Very high | 90.3 | Very high | 105 Ų | 105 | 64.2 Ų | 64.2 | 46% | 0.457 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -69 | -36 | 179.1 | -69.9 | 174.3 | -175.7 | 174.6 | 0 | 111.8 | T28 E29 E34 L35 F82 | T28-K31 PolarHBondContact O-N 3.4Å; T28-K31 WeakPolarHBondContact OG1-CG 3.27Å; E29-K31 PolarHBondContact O-N 3.37Å; K31-E34 PolarHBondContact O-N 2.93Å; K31-L35 WeakPolarHBondContact O-CB 3.18Å; K31-L35 PolarHBondContact O-N 3.2Å; K31-L35 VanDerWaalsContact O-N 3.11Å; K31-F82 HydrophobicContact CB-CE2 3.96Å; K31-F82 HydrophobicContact CB-CZ 3.62Å; K31-F82 HydrophobicContact CD-CZ 4.07Å; K31-F82 HydrophobicContact CG-CZ 4.48Å |
| 32 | L | 91.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -66.3 | -44.4 | 175.3 | -67.1 | 165.7 | 0 | 0 | 0 | 110 | I23 A27 T28 E29 E30 E34 L35 F36 F45 L47 F82 L87 | I23-L32 HydrophobicContact CD1-CD1 4.17Å; I23-L32 HydrophobicContact CG2-CD1 3.88Å; I23-L32 HydrophobicContact CG2-CD2 4.28Å; A27-L32 HydrophobicContact CB-CD1 4.2Å; A27-L32 HydrophobicContact CB-CG 4.41Å; T28-L32 PolarHBondContact O-N 3.3Å; E29-L32 PolarHBondContact O-N 3.05Å; E30-L32 VanDerWaalsContact C-N 3.34Å; L32-E34 VanDerWaalsContact C-N 3.35Å; L32-E34 PolarHBondContact O-N 3.12Å; L32-L35 WeakPolarHBondContact O-CB 3.29Å; L32-L35 PolarHBondContact O-N 3.24Å; L32-F36 HydrophobicContact CB-CD2 4.27Å; L32-F36 HydrophobicContact CB-CE2 4.37Å; L32-F36 HydrophobicContact CD2-CE2 4.25Å; L32-F36 WeakPolarHBondContact O-CB 3.32Å; L32-F36 WeakPolarHBondContact O-CD2 3.35Å; L32-F36 PolarHBondContact O-N 3.14Å; L32-F45 HydrophobicContact CB-CD1 4.49Å; L32-F45 HydrophobicContact CB-CD2 4.1Å; L32-F45 HydrophobicContact CB-CE1 4.47Å; L32-F45 HydrophobicContact CB-CE2 4.07Å; L32-F45 HydrophobicContact CB-CG 4.34Å; L32-F45 HydrophobicContact CB-CZ 4.27Å; L32-F45 HydrophobicContact CD1-CD1 4.17Å; L32-F45 HydrophobicContact CD1-CE1 3.58Å; L32-F45 HydrophobicContact CD1-CE2 4.33Å; L32-F45 HydrophobicContact CD1-CZ 3.69Å; L32-F45 HydrophobicContact CG-CZ 4.46Å; L32-L47 HydrophobicContact CD1-CD1 4.41Å; L32-F82 HydrophobicContact CD2-CD1 4.49Å; L32-L87 HydrophobicContact CD2-CD1 4.15Å |
| 33 | I | 92.3 | Very high | 90.4 | Very high | 59 Ų | 59 | 66.9 Ų | 66.9 | 30% | 0.303 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -57.2 | -47.9 | 175.4 | -69.1 | 162.5 | 0 | 0 | 0 | 110.5 | E29 E30 L35 F36 S37 V42 F45 | E29-I33 WeakPolarHBondContact O-CB 3.04Å; E29-I33 WeakPolarHBondContact O-CD1 3.11Å; E29-I33 WeakPolarHBondContact O-CG1 3.41Å; E29-I33 PolarHBondContact O-N 3.49Å; E30-I33 PolarHBondContact O-N 3.02Å; I33-L35 VanDerWaalsContact C-N 3.3Å; I33-L35 PolarHBondContact O-N 2.92Å; I33-F36 PolarHBondContact O-N 3.25Å; I33-S37 WeakPolarHBondContact O-CB 3.05Å; I33-S37 PolarHBondContact O-N 3.3Å; I33-V42 HydrophobicContact CG1-CG1 4.37Å; I33-V42 HydrophobicContact CG2-CB 4.34Å; I33-V42 HydrophobicContact CG2-CG1 4.39Å; I33-F45 HydrophobicContact CD1-CB 4.01Å; I33-F45 HydrophobicContact CG1-CB 3.54Å |
| 34 | E | 91.4 | Very high | 90.3 | Very high | 150 Ų | 150 | 68.1 Ų | 68.1 | 70% | 0.701 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -58.1 | -42.5 | 177.7 | -172 | 179.8 | 86.3 | 0 | 0 | 112.2 | E30 K31 L32 S37 | E30-E34 PolarHBondContact O-N 3.36Å; K31-E34 PolarHBondContact O-N 2.93Å; L32-E34 VanDerWaalsContact C-N 3.35Å; L32-E34 PolarHBondContact O-N 3.12Å; E34-S37 WeakPolarHBondContact O-CB 3.04Å; E34-S37 PolarHBondContact O-N 3.18Å |
| 35 | L | 90.2 | Very high | 90.5 | Very high | 25 Ų | 25 | 68.6 Ų | 68.6 | 13% | 0.131 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -65.4 | -46.7 | 177.4 | -176.6 | 63.8 | 0 | 0 | 0 | 112.4 | K31 L32 I33 S37 K38 I80 F82 L87 | K31-L35 WeakPolarHBondContact O-CB 3.18Å; K31-L35 PolarHBondContact O-N 3.2Å; K31-L35 VanDerWaalsContact O-N 3.11Å; L32-L35 WeakPolarHBondContact O-CB 3.29Å; L32-L35 PolarHBondContact O-N 3.24Å; I33-L35 VanDerWaalsContact C-N 3.3Å; I33-L35 PolarHBondContact O-N 2.92Å; L35-S37 VanDerWaalsContact C-N 3.3Å; L35-S37 PolarHBondContact O-N 2.95Å; L35-K38 HydrophobicContact CD1-CD 4.45Å; L35-K38 WeakPolarHBondContact O-CB 3.34Å; L35-K38 WeakPolarHBondContact O-CG 3.43Å; L35-K38 PolarHBondContact O-N 3.2Å; L35-I80 HydrophobicContact CD1-CD1 4.27Å; L35-I80 HydrophobicContact CD2-CD1 3.47Å; L35-I80 VanDerWaalsContact CD2-CD1 3.47Å; L35-I80 HydrophobicContact CD2-CG1 4.37Å; L35-I80 HydrophobicContact CG-CD1 3.75Å; L35-F82 HydrophobicContact CD2-CB 4.47Å; L35-F82 HydrophobicContact CD2-CD2 3.74Å; L35-F82 HydrophobicContact CD2-CE2 4.47Å; L35-F82 HydrophobicContact CD2-CG 4.45Å; L35-L87 HydrophobicContact CD2-CD1 3.83Å |
| 36 | F | 91.2 | Very high | 90.6 | Very high | 0 Ų | 0 | 70.4 Ų | 70.4 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -73.5 | -21.7 | -179.7 | -77.3 | -64.9 | 0 | 0 | 0 | 113.1 | I18 V20 L32 I33 K38 A39 V42 F45 Y64 L77 I80 L87 I89 | I18-F36 HydrophobicContact CD1-CD1 3.85Å; I18-F36 HydrophobicContact CD1-CE1 3.79Å; V20-F36 HydrophobicContact CB-CE2 4.42Å; V20-F36 HydrophobicContact CB-CZ 4.13Å; V20-F36 HydrophobicContact CG1-CE2 3.87Å; V20-F36 HydrophobicContact CG1-CZ 3.54Å; V20-F36 HydrophobicContact CG2-CE1 3.97Å; V20-F36 HydrophobicContact CG2-CE2 3.84Å; V20-F36 HydrophobicContact CG2-CZ 3.44Å; V20-F36 VanDerWaalsContact CG2-CZ 3.44Å; L32-F36 HydrophobicContact CB-CD2 4.27Å; L32-F36 HydrophobicContact CB-CE2 4.37Å; L32-F36 HydrophobicContact CD2-CE2 4.25Å; L32-F36 WeakPolarHBondContact O-CB 3.32Å; L32-F36 WeakPolarHBondContact O-CD2 3.35Å; L32-F36 PolarHBondContact O-N 3.14Å; I33-F36 PolarHBondContact O-N 3.25Å; F36-K38 PolarHBondContact O-N 3.25Å; F36-A39 PolarHBondContact O-N 3.31Å; F36-V42 HydrophobicContact CB-CG2 3.88Å; F36-F45 HydrophobicContact CD2-CD2 4.09Å; F36-F45 AromaticContact CD2-CE2 3.9Å; F36-F45 HydrophobicContact CD2-CE2 3.9Å; F36-F45 HydrophobicContact CE2-CD2 4.44Å; F36-F45 AromaticContact CE2-CE2 3.78Å; F36-F45 HydrophobicContact CE2-CE2 3.78Å; F36-Y64 WeakPolarHBondContact CB-OH 3.25Å; F36-Y64 PolarHBondContact O-OH 3.4Å; F36-L77 HydrophobicContact CD1-CD1 3.49Å; F36-L77 VanDerWaalsContact CD1-CD1 3.49Å; F36-L77 HydrophobicContact CE1-CD1 3.91Å; F36-I80 HydrophobicContact CE1-CD1 4.32Å; F36-I80 HydrophobicContact CZ-CD1 4.32Å; F36-L87 HydrophobicContact CE2-CD1 4.48Å; F36-L87 HydrophobicContact CZ-CD1 4.27Å; F36-I89 HydrophobicContact CE1-CD1 3.64Å; F36-I89 HydrophobicContact CE1-CG1 4.24Å; F36-I89 HydrophobicContact CZ-CD1 4.18Å; F36-I89 HydrophobicContact CZ-CG1 4.41Å |
| 37 | S | 91.5 | Very high | 90.8 | Very high | 63 Ų | 63 | 63.3 Ų | 63.3 | 44% | 0.441 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -64.3 | -22.5 | 174.5 | -165.4 | 0 | 0 | 0 | 0 | 112.5 | I33 E34 L35 A39 G40 | I33-S37 WeakPolarHBondContact O-CB 3.05Å; I33-S37 PolarHBondContact O-N 3.3Å; E34-S37 WeakPolarHBondContact O-CB 3.04Å; E34-S37 PolarHBondContact O-N 3.18Å; L35-S37 VanDerWaalsContact C-N 3.3Å; L35-S37 PolarHBondContact O-N 2.95Å; S37-A39 PolarHBondContact O-N 2.88Å; S37-G40 WeakPolarHBondContact CA-O 3.47Å; S37-G40 PolarHBondContact O-N 3.34Å |
| 38 | K | 88.9 | Confident | 91 | Very high | 167 Ų | 167 | 64.5 Ų | 64.5 | 73% | 0.726 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -28.9 | 174 | -64.2 | -179.4 | -178.6 | 178.5 | 0 | 113.4 | L35 F36 | L35-K38 HydrophobicContact CD1-CD 4.45Å; L35-K38 WeakPolarHBondContact O-CB 3.34Å; L35-K38 WeakPolarHBondContact O-CG 3.43Å; L35-K38 PolarHBondContact O-N 3.2Å; F36-K38 PolarHBondContact O-N 3.25Å |
| 39 | A | 87.6 | Confident | 91 | Very high | 27 Ų | 27 | 67.4 Ų | 67.4 | 22% | 0.223 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -23.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | F36 S37 A73 L77 | F36-A39 PolarHBondContact O-N 3.31Å; S37-A39 PolarHBondContact O-N 2.88Å; A39-A73 HydrophobicContact CB-CB 3.69Å; A39-L77 HydrophobicContact CB-CD1 3.79Å; A39-L77 HydrophobicContact CB-CG 4.23Å |
| 40 | G | 89.8 | Confident | 90.8 | Very high | 15 Ų | 15 | 66.6 Ų | 66.6 | 16% | 0.155 | 33% | 0.333 | C | S | . | . | S | Bend | trans | 155.9 | 177.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113 | S37 V42 | S37-G40 WeakPolarHBondContact CA-O 3.47Å; S37-G40 PolarHBondContact O-N 3.34Å; G40-V42 PolarHBondContact O-N 2.91Å; G40-V42 VanDerWaalsContact O-N 3.16Å |
| 41 | P | 92 | Very high | 90.5 | Very high | 80 Ų | 80 | 71.1 Ų | 71.1 | 52% | 0.519 | 34% | 0.344 | S | S | . | . | trans | -61.9 | 114.7 | -176.3 | 24 | -35.8 | 0 | 0 | 0 | 112.8 | N65 I69 | P41-N65 PolarHBondContact O-N 2.76Å; P41-I69 HydrophobicContact CG-CD1 3.91Å | ||
| 42 | V | 92.9 | Very high | 90.1 | Very high | 28 Ų | 28 | 75.2 Ų | 75.2 | 17% | 0.17 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 126.5 | 175.3 | 178.5 | 0 | 0 | 0 | 0 | 109 | I33 F36 G40 E63 Y64 | I33-V42 HydrophobicContact CG1-CG1 4.37Å; I33-V42 HydrophobicContact CG2-CB 4.34Å; I33-V42 HydrophobicContact CG2-CG1 4.39Å; F36-V42 HydrophobicContact CB-CG2 3.88Å; G40-V42 PolarHBondContact O-N 2.91Å; G40-V42 VanDerWaalsContact O-N 3.16Å; V42-E63 CarbonylContact C-O 3.6Å; V42-Y64 HydrophobicContact CG2-CD1 4.12Å; V42-Y64 HydrophobicContact CG2-CE1 3.57Å |
| 43 | I | 92.5 | Very high | 89.8 | Confident | 86 Ų | 86 | 78.6 Ų | 78.6 | 44% | 0.441 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | -44 | 172 | -67.4 | 178.1 | 0 | 0 | 0 | 109.6 | E63 Y64 N65 | I43-E63 HydrophobicContact CB-CB 4.35Å; I43-E63 HydrophobicContact CB-CG 4.07Å; I43-E63 HydrophobicContact CD1-CG 4.09Å; I43-E63 HydrophobicContact CG2-CG 4.48Å; I43-E63 WeakPolarHBondContact CG2-OE1 3.13Å; I43-E63 PolarHBondContact N-O 3.04Å; I43-Y64 WeakPolarHBondContact CD1-O 3.43Å; I43-N65 HydrophobicContact CD1-CB 4.3Å; I43-N65 HydrophobicContact CG1-CB 4.23Å |
| 44 | G | 90 | Very high | 89.4 | Confident | 26 Ų | 26 | 78.4 Ų | 78.4 | 27% | 0.268 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -174.5 | 159.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | E63 | G44-E63 PolarHBondContact N-O 2.92Å; G44-E63 PolarHBondContact O-N 3.23Å |
| 45 | F | 93.1 | Very high | 89 | Confident | 18 Ų | 18 | 77.8 Ų | 77.8 | 8% | 0.079 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 136.2 | 171.7 | -166.9 | -80 | 0 | 0 | 0 | 108.2 | V20 I23 E29 L32 I33 F36 L47 C62 | V20-F45 HydrophobicContact CB-CE2 4.22Å; V20-F45 HydrophobicContact CB-CZ 4.19Å; V20-F45 HydrophobicContact CG2-CE2 3.99Å; V20-F45 HydrophobicContact CG2-CZ 4.45Å; I23-F45 HydrophobicContact CD1-CE1 4.29Å; I23-F45 HydrophobicContact CD1-CZ 3.76Å; E29-F45 HydrophobicContact CB-CD1 4.4Å; E29-F45 HydrophobicContact CG-CD1 4.11Å; L32-F45 HydrophobicContact CB-CD1 4.49Å; L32-F45 HydrophobicContact CB-CD2 4.1Å; L32-F45 HydrophobicContact CB-CE1 4.47Å; L32-F45 HydrophobicContact CB-CE2 4.07Å; L32-F45 HydrophobicContact CB-CG 4.34Å; L32-F45 HydrophobicContact CB-CZ 4.27Å; L32-F45 HydrophobicContact CD1-CD1 4.17Å; L32-F45 HydrophobicContact CD1-CE1 3.58Å; L32-F45 HydrophobicContact CD1-CE2 4.33Å; L32-F45 HydrophobicContact CD1-CZ 3.69Å; L32-F45 HydrophobicContact CG-CZ 4.46Å; I33-F45 HydrophobicContact CD1-CB 4.01Å; I33-F45 HydrophobicContact CG1-CB 3.54Å; F36-F45 HydrophobicContact CD2-CD2 4.09Å; F36-F45 AromaticContact CD2-CE2 3.9Å; F36-F45 HydrophobicContact CD2-CE2 3.9Å; F36-F45 HydrophobicContact CE2-CD2 4.44Å; F36-F45 AromaticContact CE2-CE2 3.78Å; F36-F45 HydrophobicContact CE2-CE2 3.78Å; F45-L47 HydrophobicContact CE1-CB 4.23Å; F45-L47 HydrophobicContact CE1-CD1 3.9Å; F45-C62 HydrophobicContact CD2-CB 3.56Å; F45-C62 HydrophobicContact CE2-CB 3.81Å |
| 46 | R | 91.5 | Very high | 88.8 | Confident | 189 Ų | 189 | 77.8 Ų | 77.8 | 71% | 0.713 | 40% | 0.397 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 107 | 177 | -175.5 | -178.8 | -173.3 | -172.6 | 3.1 | 109.4 | G60 F61 | R46-G60 CarbonylContact O-C 3.49Å; R46-G60 WeakPolarHBondContact O-CA 3.32Å; R46-F61 PolarHBondContact N-O 3.48Å; R46-F61 PolarHBondContact O-N 2.95Å |
| 47 | L | 91 | Very high | 88.7 | Confident | 8 Ų | 8 | 83.1 Ų | 83.1 | 4% | 0.042 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 137.8 | 172 | -161 | 68.3 | 0 | 0 | 0 | 110.3 | I23 E29 L32 F45 Y49 P56 | I23-L47 HydrophobicContact CD1-CD1 3.61Å; I23-L47 HydrophobicContact CG2-CD1 4.19Å; E29-L47 HydrophobicContact CG-CB 3.96Å; E29-L47 PolarHBondContact OE1-N 3.31Å; L32-L47 HydrophobicContact CD1-CD1 4.41Å; F45-L47 HydrophobicContact CE1-CB 4.23Å; F45-L47 HydrophobicContact CE1-CD1 3.9Å; L47-Y49 HydrophobicContact CB-CE2 3.76Å; L47-Y49 HydrophobicContact CD2-CE1 4.1Å; L47-Y49 HydrophobicContact CD2-CE2 4.33Å; L47-Y49 WeakPolarHBondContact CD2-OH 3.38Å; L47-Y49 HydrophobicContact CG-CE2 4.3Å; L47-Y49 VanDerWaalsContact O-CD2 3.28Å; L47-Y49 WeakPolarHBondContact O-CD2 3.4Å; L47-Y49 WeakPolarHBondContact O-CE2 3.14Å; L47-P56 HydrophobicContact CD2-CB 3.71Å; L47-P56 HydrophobicContact CG-CB 4.36Å |
| 48 | V | 90.3 | Very high | 88.6 | Confident | 31 Ų | 31 | 80.6 Ų | 80.6 | 19% | 0.188 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 122.9 | 177.1 | -179.2 | 0 | 0 | 0 | 0 | 109.2 | K57 Y59 F61 | V48-K57 HydrophobicContact CG1-CB 4.45Å; V48-K57 HydrophobicContact CG1-CD 4.44Å; V48-K57 WeakPolarHBondContact O-CB 3.33Å; V48-K57 PolarHBondContact O-N 3.42Å; V48-Y59 HydrophobicContact CB-CD2 4.01Å; V48-Y59 HydrophobicContact CB-CE1 4.44Å; V48-Y59 HydrophobicContact CB-CE2 3.64Å; V48-Y59 HydrophobicContact CG1-CE1 4.36Å; V48-Y59 HydrophobicContact CG1-CE2 3.88Å; V48-Y59 HydrophobicContact CG2-CD2 3.85Å; V48-Y59 HydrophobicContact CG2-CE2 3.49Å; V48-Y59 VanDerWaalsContact CG2-CE2 3.49Å; V48-Y59 PolarHBondContact N-O 2.78Å; V48-F61 HydrophobicContact CG2-CD2 4.16Å; V48-F61 HydrophobicContact CG2-CE2 3.96Å |
| 49 | Y | 89.3 | Confident | 88.8 | Confident | 117 Ų | 117 | 75.5 Ų | 75.5 | 46% | 0.459 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 142.9 | 176.9 | -60.8 | -94.5 | 0 | 0 | 0 | 110 | L47 R51 K55 P56 | L47-Y49 HydrophobicContact CB-CE2 3.76Å; L47-Y49 HydrophobicContact CD2-CE1 4.1Å; L47-Y49 HydrophobicContact CD2-CE2 4.33Å; L47-Y49 WeakPolarHBondContact CD2-OH 3.38Å; L47-Y49 HydrophobicContact CG-CE2 4.3Å; L47-Y49 VanDerWaalsContact O-CD2 3.28Å; L47-Y49 WeakPolarHBondContact O-CD2 3.4Å; L47-Y49 WeakPolarHBondContact O-CE2 3.14Å; Y49-R51 PolarHBondContact O-N 2.86Å; Y49-K55 WeakPolarHBondContact CA-O 3.35Å; Y49-P56 HydrophobicContact CD1-CB 3.97Å; Y49-P56 HydrophobicContact CE1-CB 3.89Å; Y49-P56 HydrophobicContact CE1-CG 4.3Å |
| 50 | D | 87.3 | Confident | 89 | Confident | 51 Ų | 51 | 74.2 Ų | 74.2 | 27% | 0.273 | 37% | 0.37 | S | S | . | . | trans | -68 | 124.9 | 171 | -170.7 | -95.7 | 0 | 0 | 0 | 109.7 | E52 S53 G54 K55 | D50-E52 VanDerWaalsContact C-N 3.27Å; D50-E52 PolarHBondContact O-N 3.33Å; D50-E52 PolarHBondContact OD1-N 2.92Å; D50-S53 WeakPolarHBondContact OD1-CB 3.16Å; D50-S53 PolarHBondContact OD1-N 3.5Å; D50-G54 VanDerWaalsContact O-CA 3.22Å; D50-G54 WeakPolarHBondContact O-CA 3.05Å; D50-G54 PolarHBondContact O-N 3.45Å; D50-K55 WeakPolarHBondContact CB-O 3.33Å; D50-K55 PolarHBondContact N-O 2.84Å | ||
| 51 | R | 84.3 | Confident | 89.2 | Confident | 249 Ų | 249 | 77 Ų | 77 | 94% | 0.94 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -22.9 | -172.6 | -166.7 | 177.7 | 174.9 | 178 | -1.5 | 112.6 | Y49 | Y49-R51 PolarHBondContact O-N 2.86Š|
| 52 | E | 83.1 | Confident | 89.2 | Confident | 191 Ų | 191 | 73.2 Ų | 73.2 | 89% | 0.893 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | -44.1 | -179.3 | -63 | -176.1 | 84.3 | 0 | 0 | 111 | D50 | D50-E52 VanDerWaalsContact C-N 3.27Å; D50-E52 PolarHBondContact O-N 3.33Å; D50-E52 PolarHBondContact OD1-N 2.92Å |
| 53 | S | 85.4 | Confident | 89.2 | Confident | 71 Ų | 71 | 73.7 Ų | 73.7 | 50% | 0.497 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -20.8 | -177.5 | -162.5 | 0 | 0 | 0 | 0 | 113.9 | D50 K55 | D50-S53 WeakPolarHBondContact OD1-CB 3.16Å; D50-S53 PolarHBondContact OD1-N 3.5Å; S53-K55 PolarHBondContact O-N 3.44Å; S53-K55 WeakPolarHBondContact OG-CD 2.69Å; S53-K55 WeakPolarHBondContact OG-CG 3.5Å |
| 54 | G | 84.4 | Confident | 89.3 | Confident | 55 Ų | 55 | 69.6 Ų | 69.6 | 57% | 0.567 | 33% | 0.333 | S | S | * | . | trans | 69.4 | 2.5 | -170.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | D50 | D50-G54 VanDerWaalsContact O-CA 3.22Å; D50-G54 WeakPolarHBondContact O-CA 3.05Å; D50-G54 PolarHBondContact O-N 3.45Å | ||
| 55 | K | 82.7 | Confident | 89.3 | Confident | 137 Ų | 137 | 72.5 Ų | 72.5 | 60% | 0.596 | 34% | 0.342 | S | S | * | . | trans | -84.2 | 145.4 | -178.3 | -66.7 | -173.1 | -179.2 | -162.5 | 0 | 110.8 | Y49 D50 S53 K57 | Y49-K55 WeakPolarHBondContact CA-O 3.35Å; D50-K55 WeakPolarHBondContact CB-O 3.33Å; D50-K55 PolarHBondContact N-O 2.84Å; S53-K55 PolarHBondContact O-N 3.44Å; S53-K55 WeakPolarHBondContact OG-CD 2.69Å; S53-K55 WeakPolarHBondContact OG-CG 3.5Å; K55-K57 PolarHBondContact O-N 3.32Å | ||
| 56 | P | 86.1 | Confident | 89.1 | Confident | 24 Ų | 24 | 75.3 Ų | 75.3 | 16% | 0.156 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 134.8 | 173.8 | 17 | -21 | 0 | 0 | 0 | 109.8 | Y25 L47 Y49 G58 | Y25-P56 HydrophobicContact CD1-CB 4.43Å; Y25-P56 HydrophobicContact CD1-CG 3.99Å; Y25-P56 WeakPolarHBondContact CD1-O 3.44Å; Y25-P56 WeakPolarHBondContact CE1-O 3.27Å; L47-P56 HydrophobicContact CD2-CB 3.71Å; L47-P56 HydrophobicContact CG-CB 4.36Å; Y49-P56 HydrophobicContact CD1-CB 3.97Å; Y49-P56 HydrophobicContact CE1-CB 3.89Å; Y49-P56 HydrophobicContact CE1-CG 4.3Å; P56-G58 PolarHBondContact O-N 2.74Å |
| 57 | K | 88.5 | Confident | 89.1 | Confident | 113 Ų | 113 | 69.4 Ų | 69.4 | 49% | 0.491 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | -0.5 | -178 | -155.2 | 165.2 | 162.5 | 178.1 | 0 | 112.7 | V48 K55 Y59 | V48-K57 HydrophobicContact CG1-CB 4.45Å; V48-K57 HydrophobicContact CG1-CD 4.44Å; V48-K57 WeakPolarHBondContact O-CB 3.33Å; V48-K57 PolarHBondContact O-N 3.42Å; K55-K57 PolarHBondContact O-N 3.32Å; K57-Y59 HydrophobicContact CB-CD1 3.93Å; K57-Y59 HydrophobicContact CB-CE1 3.67Å; K57-Y59 HydrophobicContact CD-CD1 4.4Å; K57-Y59 HydrophobicContact CD-CE1 3.38Å; K57-Y59 HydrophobicContact CG-CD1 3.99Å; K57-Y59 HydrophobicContact CG-CE1 3.44Å; K57-Y59 VanDerWaalsContact CG-CE1 3.44Å |
| 58 | G | 89.9 | Confident | 89.1 | Confident | 9 Ų | 9 | 72.2 Ų | 72.2 | 9% | 0.093 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 79.1 | 15.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | G21 N22 I23 P56 | G21-G58 CarbonylContact C-O 3.59Å; N22-G58 PolarHBondContact N-O 3.35Å; I23-G58 PolarHBondContact N-O 3.46Å; I23-G58 WeakPolarHBondContact O-CA 3.44Å; P56-G58 PolarHBondContact O-N 2.74Å |
| 59 | Y | 92.8 | Very high | 89.1 | Confident | 60 Ų | 60 | 72 Ų | 72 | 24% | 0.235 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 162.5 | 171 | 70.4 | -89.3 | 0 | 0 | 0 | 112.1 | F19 V20 V48 K57 F61 | F19-Y59 HydrophobicContact CD2-CD2 4.49Å; F19-Y59 AromaticContact CE2-CD2 3.77Å; F19-Y59 HydrophobicContact CE2-CD2 3.77Å; F19-Y59 HydrophobicContact CE2-CG 4.01Å; F19-Y59 HydrophobicContact CZ-CG 4.49Å; V20-Y59 CarbonylContact O-C 3.51Å; V20-Y59 WeakPolarHBondContact O-CA 3.42Å; V20-Y59 WeakPolarHBondContact O-CB 3.46Å; V48-Y59 HydrophobicContact CB-CD2 4.01Å; V48-Y59 HydrophobicContact CB-CE1 4.44Å; V48-Y59 HydrophobicContact CB-CE2 3.64Å; V48-Y59 HydrophobicContact CG1-CE1 4.36Å; V48-Y59 HydrophobicContact CG1-CE2 3.88Å; V48-Y59 HydrophobicContact CG2-CD2 3.85Å; V48-Y59 HydrophobicContact CG2-CE2 3.49Å; V48-Y59 VanDerWaalsContact CG2-CE2 3.49Å; V48-Y59 PolarHBondContact N-O 2.78Å; K57-Y59 HydrophobicContact CB-CD1 3.93Å; K57-Y59 HydrophobicContact CB-CE1 3.67Å; K57-Y59 HydrophobicContact CD-CD1 4.4Å; K57-Y59 HydrophobicContact CD-CE1 3.38Å; K57-Y59 HydrophobicContact CG-CD1 3.99Å; K57-Y59 HydrophobicContact CG-CE1 3.44Å; K57-Y59 VanDerWaalsContact CG-CE1 3.44Å; Y59-F61 HydrophobicContact CD2-CE2 4.47Å; Y59-F61 HydrophobicContact CE2-CE2 4.29Å |
| 60 | G | 92.7 | Very high | 89.2 | Confident | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.7 | 178.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | V20 R46 | V20-G60 PolarHBondContact N-O 2.84Å; V20-G60 PolarHBondContact O-N 3.25Å; R46-G60 CarbonylContact O-C 3.49Å; R46-G60 WeakPolarHBondContact O-CA 3.32Å |
| 61 | F | 93.3 | Very high | 89.3 | Confident | 74 Ų | 74 | 67 Ų | 67 | 33% | 0.325 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 129.8 | 177.8 | -61 | -85.7 | 0 | 0 | 0 | 109.5 | I18 F19 R46 V48 Y59 A92 | I18-F61 VanDerWaalsContact O-CA 3.32Å; I18-F61 WeakPolarHBondContact O-CA 3.45Å; F19-F61 HydrophobicContact CB-CE1 4.43Å; F19-F61 HydrophobicContact CD2-CE1 4.08Å; F19-F61 HydrophobicContact CD2-CZ 4.37Å; R46-F61 PolarHBondContact N-O 3.48Å; R46-F61 PolarHBondContact O-N 2.95Å; V48-F61 HydrophobicContact CG2-CD2 4.16Å; V48-F61 HydrophobicContact CG2-CE2 3.96Å; Y59-F61 HydrophobicContact CD2-CE2 4.47Å; Y59-F61 HydrophobicContact CE2-CE2 4.29Å; F61-A92 HydrophobicContact CD1-CB 4.04Å; F61-A92 HydrophobicContact CE1-CB 4.42Å |
| 62 | C | 93.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 124.5 | 176.1 | -179.8 | 0 | 0 | 0 | 0 | 109 | S17 I18 V20 F45 | S17-C62 CarbonylContact C-O 3.47Å; S17-C62 VanDerWaalsContact CA-O 3.25Å; S17-C62 WeakPolarHBondContact CA-O 3.45Å; I18-C62 HydrophobicContact CD1-CB 4.1Å; I18-C62 HydrophobicContact CG1-CB 3.59Å; I18-C62 PolarHBondContact N-O 3Å; I18-C62 PolarHBondContact O-N 3.44Å; V20-C62 HydrophobicContact CG2-CB 4.33Å; F45-C62 HydrophobicContact CD2-CB 3.56Å; F45-C62 HydrophobicContact CE2-CB 3.81Å |
| 63 | E | 92.9 | Very high | 90 | Very high | 39 Ų | 39 | 48.6 Ų | 48.6 | 18% | 0.182 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 130.3 | -178.7 | -177 | 168.2 | 100.1 | 0 | 0 | 110.6 | K13 V42 I43 G44 | K13-E63 WeakPolarHBondContact CD-OE2 3.32Å; K13-E63 WeakPolarHBondContact CE-OE2 3.26Å; K13-E63 WeakPolarHBondContact CG-OE2 3.48Å; K13-E63 IonicContact NZ-OE2 3.9Å; V42-E63 CarbonylContact C-O 3.6Å; I43-E63 HydrophobicContact CB-CB 4.35Å; I43-E63 HydrophobicContact CB-CG 4.07Å; I43-E63 HydrophobicContact CD1-CG 4.09Å; I43-E63 HydrophobicContact CG2-CG 4.48Å; I43-E63 WeakPolarHBondContact CG2-OE1 3.13Å; I43-E63 PolarHBondContact N-O 3.04Å; G44-E63 PolarHBondContact N-O 2.92Å; G44-E63 PolarHBondContact O-N 3.23Å |
| 64 | Y | 94.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 157.3 | 177.5 | -71.7 | -79.6 | 0 | 0 | 0 | 112 | R16 I18 F36 V42 I43 N66 I69 A70 A73 | R16-Y64 WeakPolarHBondContact CB-O 3.43Å; R16-Y64 PolarHBondContact O-N 2.92Å; I18-Y64 HydrophobicContact CD1-CE2 3.7Å; I18-Y64 HydrophobicContact CG1-CE2 3.92Å; I18-Y64 HydrophobicContact CG2-CD2 4.24Å; I18-Y64 HydrophobicContact CG2-CE2 4.08Å; F36-Y64 WeakPolarHBondContact CB-OH 3.25Å; F36-Y64 PolarHBondContact O-OH 3.4Å; V42-Y64 HydrophobicContact CG2-CD1 4.12Å; V42-Y64 HydrophobicContact CG2-CE1 3.57Å; I43-Y64 WeakPolarHBondContact CD1-O 3.43Å; Y64-N66 VanDerWaalsContact C-N 3.28Å; Y64-N66 PolarHBondContact O-N 2.84Å; Y64-I69 HydrophobicContact CD1-CB 4.24Å; Y64-I69 HydrophobicContact CD1-CG2 3.33Å; Y64-I69 HydrophobicContact CE1-CG2 3.74Å; Y64-I69 HydrophobicContact CG-CB 4.32Å; Y64-I69 HydrophobicContact CG-CG2 3.84Å; Y64-A70 HydrophobicContact CD2-CB 3.81Å; Y64-A70 HydrophobicContact CG-CB 4.42Å; Y64-A73 HydrophobicContact CE2-CB 3.69Å; Y64-A73 WeakPolarHBondContact OH-CB 3.49Å |
| 65 | N | 90.3 | Very high | 90.4 | Very high | 86 Ų | 86 | 54.4 Ų | 54.4 | 46% | 0.46 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -64.6 | -33.8 | 177.7 | -167.5 | 44.1 | 0 | 0 | 0 | 113.2 | R16 P41 I43 | R16-N65 VanDerWaalsContact CD-O 3.27Å; R16-N65 WeakPolarHBondContact CD-O 3.41Å; P41-N65 PolarHBondContact O-N 2.76Å; I43-N65 HydrophobicContact CD1-CB 4.3Å; I43-N65 HydrophobicContact CG1-CB 4.23Å |
| 66 | N | 89.1 | Confident | 90.6 | Very high | 77 Ų | 77 | 53.4 Ų | 53.4 | 41% | 0.412 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -127.2 | 142.6 | -177.4 | -64.3 | -61.2 | 0 | 0 | 0 | 111.5 | Y64 A68 I69 A70 | Y64-N66 VanDerWaalsContact C-N 3.28Å; Y64-N66 PolarHBondContact O-N 2.84Å; N66-A68 PolarHBondContact O-N 2.83Å; N66-I69 HydrophobicContact CB-CD1 3.83Å; N66-I69 HydrophobicContact CB-CG1 3.99Å; N66-I69 WeakPolarHBondContact O-CB 3.48Å; N66-I69 PolarHBondContact O-N 2.72Å; N66-A70 PolarHBondContact O-N 3.3Å |
| 67 | P | 90.2 | Very high | 90.7 | Very high | 66 Ų | 66 | 53 Ų | 53 | 43% | 0.429 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -66.5 | -28.2 | 178.4 | 27.1 | -33.9 | 0 | 0 | 0 | 111.6 | A15 R16 I69 A70 A71 | A15-P67 HydrophobicContact CB-CB 4.37Å; A15-P67 WeakPolarHBondContact O-CB 3.12Å; R16-P67 HydrophobicContact CG-CB 4Å; R16-P67 HydrophobicContact CG-CG 4.33Å; P67-I69 VanDerWaalsContact C-N 3.31Å; P67-I69 PolarHBondContact O-N 3.47Å; P67-A70 PolarHBondContact O-N 3.43Å; P67-A71 WeakPolarHBondContact O-CB 3.48Å; P67-A71 PolarHBondContact O-N 3.43Å |
| 68 | A | 90.5 | Very high | 90.4 | Very high | 67 Ų | 67 | 52.2 Ų | 52.2 | 55% | 0.554 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -63.5 | -34.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | N66 S72 | N66-A68 PolarHBondContact O-N 2.83Å; A68-S72 WeakPolarHBondContact O-CB 3.38Å; A68-S72 PolarHBondContact O-N 3.01Å; A68-S72 PolarHBondContact O-OG 3.13Å |
| 69 | I | 91.6 | Very high | 90 | Very high | 27 Ų | 27 | 57.4 Ų | 57.4 | 14% | 0.138 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -71.1 | -44.5 | 175.5 | -60.7 | 165.8 | 0 | 0 | 0 | 109.2 | P41 Y64 N66 P67 A71 S72 A73 | P41-I69 HydrophobicContact CG-CD1 3.91Å; Y64-I69 HydrophobicContact CD1-CB 4.24Å; Y64-I69 HydrophobicContact CD1-CG2 3.33Å; Y64-I69 HydrophobicContact CE1-CG2 3.74Å; Y64-I69 HydrophobicContact CG-CB 4.32Å; Y64-I69 HydrophobicContact CG-CG2 3.84Å; N66-I69 HydrophobicContact CB-CD1 3.83Å; N66-I69 HydrophobicContact CB-CG1 3.99Å; N66-I69 WeakPolarHBondContact O-CB 3.48Å; N66-I69 PolarHBondContact O-N 2.72Å; P67-I69 VanDerWaalsContact C-N 3.31Å; P67-I69 PolarHBondContact O-N 3.47Å; I69-A71 VanDerWaalsContact C-N 3.33Å; I69-A71 PolarHBondContact O-N 2.91Å; I69-S72 CarbonylContact O-C 3.59Å; I69-S72 WeakPolarHBondContact O-CB 3.1Å; I69-S72 PolarHBondContact O-N 3.36Å; I69-S72 VanDerWaalsContact O-N 3.11Å; I69-A73 WeakPolarHBondContact O-CB 3.42Å; I69-A73 PolarHBondContact O-N 2.99Å |
| 70 | A | 90.9 | Very high | 89.7 | Confident | 3 Ų | 3 | 56 Ų | 56 | 3% | 0.025 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -56.8 | -45.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | I18 Y64 N66 P67 S72 A73 L74 | I18-A70 HydrophobicContact CG2-CB 3.73Å; Y64-A70 HydrophobicContact CD2-CB 3.81Å; Y64-A70 HydrophobicContact CG-CB 4.42Å; N66-A70 PolarHBondContact O-N 3.3Å; P67-A70 PolarHBondContact O-N 3.43Å; A70-S72 PolarHBondContact O-N 3.18Å; A70-A73 WeakPolarHBondContact O-CB 3.32Å; A70-A73 PolarHBondContact O-N 2.93Å; A70-L74 PolarHBondContact O-N 3.36Å |
| 71 | A | 89.5 | Confident | 89.5 | Confident | 59 Ų | 59 | 62.7 Ų | 62.7 | 49% | 0.488 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64.1 | -37.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | P67 I69 L74 R75 | P67-A71 WeakPolarHBondContact O-CB 3.48Å; P67-A71 PolarHBondContact O-N 3.43Å; I69-A71 VanDerWaalsContact C-N 3.33Å; I69-A71 PolarHBondContact O-N 2.91Å; A71-L74 WeakPolarHBondContact O-CB 3.37Å; A71-L74 PolarHBondContact O-N 2.72Å; A71-R75 PolarHBondContact O-N 3.42Å |
| 72 | S | 90.2 | Very high | 89.2 | Confident | 53 Ų | 53 | 60.1 Ų | 60.1 | 37% | 0.371 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -66.9 | -41.9 | 175.4 | -60.1 | 0 | 0 | 0 | 0 | 111.6 | A68 I69 A70 L74 R75 N76 | A68-S72 WeakPolarHBondContact O-CB 3.38Å; A68-S72 PolarHBondContact O-N 3.01Å; A68-S72 PolarHBondContact O-OG 3.13Å; I69-S72 CarbonylContact O-C 3.59Å; I69-S72 WeakPolarHBondContact O-CB 3.1Å; I69-S72 PolarHBondContact O-N 3.36Å; I69-S72 VanDerWaalsContact O-N 3.11Å; A70-S72 PolarHBondContact O-N 3.18Å; S72-L74 VanDerWaalsContact C-N 3.33Å; S72-L74 PolarHBondContact O-N 3.08Å; S72-R75 PolarHBondContact O-N 3.22Å; S72-R75 VanDerWaalsContact O-N 3.11Å; S72-N76 VanDerWaalsContact O-CB 3.32Å; S72-N76 WeakPolarHBondContact O-CB 3.3Å; S72-N76 VanDerWaalsContact O-CG 3.31Å; S72-N76 PolarHBondContact O-N 3.3Å; S72-N76 PolarHBondContact O-ND2 3.5Å |
| 73 | A | 91.5 | Very high | 88.9 | Confident | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -60 | -44.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | I18 A39 Y64 I69 A70 R75 N76 L77 | I18-A73 HydrophobicContact CD1-CB 4.19Å; A39-A73 HydrophobicContact CB-CB 3.69Å; Y64-A73 HydrophobicContact CE2-CB 3.69Å; Y64-A73 WeakPolarHBondContact OH-CB 3.49Å; I69-A73 WeakPolarHBondContact O-CB 3.42Å; I69-A73 PolarHBondContact O-N 2.99Å; A70-A73 WeakPolarHBondContact O-CB 3.32Å; A70-A73 PolarHBondContact O-N 2.93Å; A73-R75 PolarHBondContact O-N 3.23Å; A73-N76 PolarHBondContact O-N 2.96Å; A73-L77 HydrophobicContact CB-CD1 4.09Å; A73-L77 VanDerWaalsContact O-CB 3.23Å; A73-L77 WeakPolarHBondContact O-CB 3.35Å; A73-L77 PolarHBondContact O-N 3.46Å |
| 74 | L | 90 | Very high | 88.5 | Confident | 40 Ų | 40 | 65.9 Ų | 65.9 | 21% | 0.209 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -58.3 | -27.4 | 174 | -113.6 | 73.3 | 0 | 0 | 0 | 114.1 | I18 A70 A71 S72 Q78 I89 P91 | I18-L74 HydrophobicContact CB-CD1 3.51Å; I18-L74 HydrophobicContact CG2-CD1 3.17Å; A70-L74 PolarHBondContact O-N 3.36Å; A71-L74 WeakPolarHBondContact O-CB 3.37Å; A71-L74 PolarHBondContact O-N 2.72Å; S72-L74 VanDerWaalsContact C-N 3.33Å; S72-L74 PolarHBondContact O-N 3.08Å; L74-Q78 WeakPolarHBondContact O-CG 3.39Å; L74-Q78 PolarHBondContact O-NE2 3.26Å; L74-I89 HydrophobicContact CD1-CG2 3.77Å; L74-I89 HydrophobicContact CG-CG2 4.18Å; L74-P91 HydrophobicContact CD2-CB 4.1Å |
| 75 | R | 88.1 | Confident | 88.2 | Confident | 208 Ų | 208 | 69.7 Ų | 69.7 | 79% | 0.785 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -92.3 | -42.5 | 179.5 | -172.8 | -179.7 | -63.5 | -157.3 | -0.8 | 111.9 | A71 S72 A73 | A71-R75 PolarHBondContact O-N 3.42Å; S72-R75 PolarHBondContact O-N 3.22Å; S72-R75 VanDerWaalsContact O-N 3.11Å; A73-R75 PolarHBondContact O-N 3.23Å |
| 76 | N | 87.8 | Confident | 88.1 | Confident | 116 Ų | 116 | 68.1 Ų | 68.1 | 62% | 0.62 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -88 | -25.3 | -169.8 | -64.8 | -27.7 | 0 | 0 | 0 | 113.3 | S72 A73 | S72-N76 VanDerWaalsContact O-CB 3.32Å; S72-N76 WeakPolarHBondContact O-CB 3.3Å; S72-N76 VanDerWaalsContact O-CG 3.31Å; S72-N76 PolarHBondContact O-N 3.3Å; S72-N76 PolarHBondContact O-ND2 3.5Å; A73-N76 PolarHBondContact O-N 2.96Å |
| 77 | L | 86.7 | Confident | 88.3 | Confident | 16 Ų | 16 | 64.5 Ų | 64.5 | 8% | 0.084 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -102 | 9.8 | -175.9 | -60.7 | -179.2 | 0 | 0 | 0 | 113.1 | F36 A39 A73 N79 I80 I89 | F36-L77 HydrophobicContact CD1-CD1 3.49Å; F36-L77 VanDerWaalsContact CD1-CD1 3.49Å; F36-L77 HydrophobicContact CE1-CD1 3.91Å; A39-L77 HydrophobicContact CB-CD1 3.79Å; A39-L77 HydrophobicContact CB-CG 4.23Å; A73-L77 HydrophobicContact CB-CD1 4.09Å; A73-L77 VanDerWaalsContact O-CB 3.23Å; A73-L77 WeakPolarHBondContact O-CB 3.35Å; A73-L77 PolarHBondContact O-N 3.46Å; L77-N79 PolarHBondContact O-N 3.48Å; L77-I80 HydrophobicContact CB-CD1 4.15Å; L77-I80 HydrophobicContact CB-CG2 4.28Å; L77-I80 HydrophobicContact CD2-CG2 4.23Å; L77-I80 WeakPolarHBondContact O-CG1 3.23Å; L77-I80 WeakPolarHBondContact O-CG2 3.45Å; L77-I80 PolarHBondContact O-N 3.4Å; L77-I89 HydrophobicContact CB-CD1 3.38Å; L77-I89 WeakPolarHBondContact O-CD1 3.05Å |
| 78 | Q | 83.8 | Confident | 88.3 | Confident | 97 Ų | 97 | 70.1 Ų | 70.1 | 45% | 0.453 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | 131.7 | 176.6 | -71.4 | -65.2 | -21.2 | 0 | 0 | 110.7 | L74 I80 I89 | L74-Q78 WeakPolarHBondContact O-CG 3.39Å; L74-Q78 PolarHBondContact O-NE2 3.26Å; Q78-I80 VanDerWaalsContact C-N 3.32Å; Q78-I80 PolarHBondContact O-N 3.31Å; Q78-I89 PolarHBondContact NE2-O 3.37Å; Q78-I89 PolarHBondContact OE1-O 3.17Å |
| 79 | N | 80.8 | Confident | 88.3 | Confident | 118 Ų | 118 | 67.5 Ų | 67.5 | 63% | 0.631 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.7 | 32 | 176.3 | -153.7 | 89.4 | 0 | 0 | 0 | 114.7 | L77 | L77-N79 PolarHBondContact O-N 3.48Š|
| 80 | I | 86.5 | Confident | 88.3 | Confident | 31 Ų | 31 | 67 Ų | 67 | 16% | 0.159 | 35% | 0.347 | C | S | . | . | trans | -69.8 | 137.7 | 169.4 | 59.6 | 178.6 | 0 | 0 | 0 | 110.7 | L35 F36 L77 Q78 P86 L87 I89 | L35-I80 HydrophobicContact CD1-CD1 4.27Å; L35-I80 HydrophobicContact CD2-CD1 3.47Å; L35-I80 VanDerWaalsContact CD2-CD1 3.47Å; L35-I80 HydrophobicContact CD2-CG1 4.37Å; L35-I80 HydrophobicContact CG-CD1 3.75Å; F36-I80 HydrophobicContact CE1-CD1 4.32Å; F36-I80 HydrophobicContact CZ-CD1 4.32Å; L77-I80 HydrophobicContact CB-CD1 4.15Å; L77-I80 HydrophobicContact CB-CG2 4.28Å; L77-I80 HydrophobicContact CD2-CG2 4.23Å; L77-I80 WeakPolarHBondContact O-CG1 3.23Å; L77-I80 WeakPolarHBondContact O-CG2 3.45Å; L77-I80 PolarHBondContact O-N 3.4Å; Q78-I80 VanDerWaalsContact C-N 3.32Å; Q78-I80 PolarHBondContact O-N 3.31Å; I80-P86 CarbonylContact O-C 3.58Å; I80-L87 HydrophobicContact CD1-CD1 3.99Å; I80-L87 HydrophobicContact CG1-CB 3.97Å; I80-L87 HydrophobicContact CG1-CD1 4.01Å; I80-L87 HydrophobicContact CG1-CG 4.27Å; I80-L87 PolarHBondContact O-N 3.46Å; I80-I89 HydrophobicContact CD1-CD1 4.26Å; I80-I89 HydrophobicContact CG1-CD1 4.43Å | ||
| 81 | E | 87.8 | Confident | 88.1 | Confident | 139 Ų | 139 | 70.7 Ų | 70.7 | 65% | 0.65 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 135.1 | 176.6 | -64.5 | -179.8 | 93 | 0 | 0 | 110.9 | R85 | E81-R85 WeakPolarHBondContact CA-O 3.47Å |
| 82 | F | 87.8 | Confident | 87.8 | Confident | 21 Ų | 21 | 68.8 Ų | 68.8 | 9% | 0.092 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 121.6 | 175.8 | -170.5 | -94 | 0 | 0 | 0 | 109.4 | P24 A27 K31 L32 L35 G84 R85 L87 | P24-F82 HydrophobicContact CG-CD1 3.59Å; P24-F82 HydrophobicContact CG-CE1 4.12Å; A27-F82 HydrophobicContact CB-CD1 4.03Å; A27-F82 HydrophobicContact CB-CE1 3.38Å; A27-F82 HydrophobicContact CB-CZ 4.24Å; K31-F82 HydrophobicContact CB-CE2 3.96Å; K31-F82 HydrophobicContact CB-CZ 3.62Å; K31-F82 HydrophobicContact CD-CZ 4.07Å; K31-F82 HydrophobicContact CG-CZ 4.48Å; L32-F82 HydrophobicContact CD2-CD1 4.49Å; L35-F82 HydrophobicContact CD2-CB 4.47Å; L35-F82 HydrophobicContact CD2-CD2 3.74Å; L35-F82 HydrophobicContact CD2-CE2 4.47Å; L35-F82 HydrophobicContact CD2-CG 4.45Å; F82-G84 PolarHBondContact O-N 3.18Å; F82-R85 PolarHBondContact N-O 3.3Å; F82-R85 PolarHBondContact O-N 3.05Å; F82-L87 HydrophobicContact CB-CD1 3.75Å; F82-L87 HydrophobicContact CB-CD2 3.91Å; F82-L87 HydrophobicContact CB-CG 3.75Å; F82-L87 HydrophobicContact CG-CD1 4.39Å |
| 83 | N | 86.1 | Confident | 86.9 | Confident | 96 Ų | 96 | 68 Ų | 68 | 51% | 0.513 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.5 | 40.8 | -171 | -71.1 | 37.1 | 0 | 0 | 0 | 113.5 | P24 R85 | P24-N83 HydrophobicContact CG-CB 3.98Å; N83-R85 VanDerWaalsContact C-N 3.32Å; N83-R85 PolarHBondContact O-N 3.21Å |
| 84 | G | 85.4 | Confident | 85.2 | Confident | 63 Ų | 63 | 70 Ų | 70 | 65% | 0.649 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.9 | 13.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | F82 | F82-G84 PolarHBondContact O-N 3.18Š|
| 85 | R | 86.5 | Confident | 83.4 | Confident | 80 Ų | 80 | 77 Ų | 77 | 30% | 0.302 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 131.8 | 173.4 | -66.7 | 177.5 | 66 | -178.7 | -2.6 | 110.4 | N22 E81 F82 N83 L87 | N22-R85 PolarHBondContact OD1-NH2 2.82Å; E81-R85 WeakPolarHBondContact CA-O 3.47Å; F82-R85 PolarHBondContact N-O 3.3Å; F82-R85 PolarHBondContact O-N 3.05Å; N83-R85 VanDerWaalsContact C-N 3.32Å; N83-R85 PolarHBondContact O-N 3.21Å; R85-L87 PolarHBondContact O-N 2.77Å |
| 86 | P | 89.7 | Confident | 81.6 | Confident | 53 Ų | 53 | 76.5 Ų | 76.5 | 34% | 0.344 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 120.9 | 176.6 | 27.8 | -33.2 | 0 | 0 | 0 | 110.3 | N22 I80 | N22-P86 WeakPolarHBondContact CB-O 3.3Å; N22-P86 PolarHBondContact ND2-O 3.47Å; I80-P86 CarbonylContact O-C 3.58Å |
| 87 | L | 92.1 | Very high | 79.5 | Confident | 2 Ų | 2 | 72.7 Ų | 72.7 | 1% | 0.01 | 39% | 0.391 | C | S | . | . | P | Polyproline II helix | trans | -71.5 | 136.1 | 173.6 | -60.3 | -174.4 | 0 | 0 | 0 | 109.8 | V20 I23 L32 L35 F36 I80 F82 R85 | V20-L87 HydrophobicContact CG1-CB 4.46Å; V20-L87 HydrophobicContact CG1-CD1 4.35Å; I23-L87 HydrophobicContact CB-CD2 4.43Å; I23-L87 HydrophobicContact CG1-CD2 4.03Å; L32-L87 HydrophobicContact CD2-CD1 4.15Å; L35-L87 HydrophobicContact CD2-CD1 3.83Å; F36-L87 HydrophobicContact CE2-CD1 4.48Å; F36-L87 HydrophobicContact CZ-CD1 4.27Å; I80-L87 HydrophobicContact CD1-CD1 3.99Å; I80-L87 HydrophobicContact CG1-CB 3.97Å; I80-L87 HydrophobicContact CG1-CD1 4.01Å; I80-L87 HydrophobicContact CG1-CG 4.27Å; I80-L87 PolarHBondContact O-N 3.46Å; F82-L87 HydrophobicContact CB-CD1 3.75Å; F82-L87 HydrophobicContact CB-CD2 3.91Å; F82-L87 HydrophobicContact CB-CG 3.75Å; F82-L87 HydrophobicContact CG-CD1 4.39Å; R85-L87 PolarHBondContact O-N 2.77Å |
| 88 | R | 90.1 | Very high | 77.7 | Confident | 184 Ų | 184 | 76 Ų | 76 | 69% | 0.694 | 42% | 0.415 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 123.2 | 172.6 | -70.7 | -172.1 | 175.3 | -165.8 | -1.9 | 108.9 | V20 G21 N22 | V20-R88 CarbonylContact C-O 3.42Å; V20-R88 VanDerWaalsContact CA-O 3.3Å; V20-R88 WeakPolarHBondContact CA-O 3.26Å; G21-R88 PolarHBondContact N-O 3.22Å; G21-R88 PolarHBondContact O-N 3.47Å; N22-R88 HydrophobicContact CB-CG 4.26Å |
| 89 | I | 91.6 | Very high | 76.1 | Confident | 12 Ų | 12 | 75.5 Ų | 75.5 | 6% | 0.062 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 129.2 | 178.3 | -58.6 | 174 | 0 | 0 | 0 | 109.4 | I18 F19 F36 L74 L77 Q78 I80 | I18-I89 HydrophobicContact CB-CG2 4.47Å; I18-I89 HydrophobicContact CD1-CG2 3.93Å; F19-I89 CarbonylContact O-C 3.48Å; F19-I89 VanDerWaalsContact O-CA 3.3Å; F19-I89 WeakPolarHBondContact O-CA 3.47Å; F36-I89 HydrophobicContact CE1-CD1 3.64Å; F36-I89 HydrophobicContact CE1-CG1 4.24Å; F36-I89 HydrophobicContact CZ-CD1 4.18Å; F36-I89 HydrophobicContact CZ-CG1 4.41Å; L74-I89 HydrophobicContact CD1-CG2 3.77Å; L74-I89 HydrophobicContact CG-CG2 4.18Å; L77-I89 HydrophobicContact CB-CD1 3.38Å; L77-I89 WeakPolarHBondContact O-CD1 3.05Å; Q78-I89 PolarHBondContact NE2-O 3.37Å; Q78-I89 PolarHBondContact OE1-O 3.17Å; I80-I89 HydrophobicContact CD1-CD1 4.26Å; I80-I89 HydrophobicContact CG1-CD1 4.43Å |
| 90 | G | 90.3 | Very high | 74.5 | Confident | 15 Ų | 15 | 76.9 Ų | 76.9 | 16% | 0.155 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 170.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | F19 A92 | F19-G90 PolarHBondContact N-O 3.5Å; F19-G90 PolarHBondContact O-N 3.46Å; G90-A92 PolarHBondContact O-N 2.8Å |
| 91 | P | 88.2 | Confident | 72.7 | Confident | 81 Ų | 81 | 81.1 Ų | 81.1 | 53% | 0.526 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 134 | 173.9 | 26.1 | -32 | 0 | 0 | 0 | 110.1 | L74 A93 G94 | L74-P91 HydrophobicContact CD2-CB 4.1Å; P91-A93 PolarHBondContact O-N 3.36Å; P91-A93 VanDerWaalsContact O-N 3.17Å; P91-G94 PolarHBondContact O-N 3.49Å |
| 92 | A | 83.7 | Confident | 70.9 | Confident | 20 Ų | 20 | 77.9 Ų | 77.9 | 17% | 0.165 | 45% | 0.45 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -17.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | S17 F61 G90 G94 | S17-A92 WeakPolarHBondContact O-CB 3.32Å; S17-A92 PolarHBondContact O-N 3.43Å; F61-A92 HydrophobicContact CD1-CB 4.04Å; F61-A92 HydrophobicContact CE1-CB 4.42Å; G90-A92 PolarHBondContact O-N 2.8Å; A92-G94 PolarHBondContact O-N 2.93Å |
| 93 | A | 71 | Confident | 69.4 | Low | 35 Ų | 35 | 84 Ų | 84 | 29% | 0.289 | 48% | 0.482 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | 5.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | T14 P91 E95 | T14-A93 HydrophobicContact CG2-CB 4.27Å; T14-A93 WeakPolarHBondContact OG1-CA 3.42Å; T14-A93 PolarHBondContact OG1-N 2.97Å; P91-A93 PolarHBondContact O-N 3.36Å; P91-A93 VanDerWaalsContact O-N 3.17Å; A93-E95 PolarHBondContact O-N 2.84Å |
| 94 | G | 54.4 | Low | 67.8 | Low | 42 Ų | 42 | 83.9 Ų | 83.9 | 43% | 0.433 | 49% | 0.489 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -2.7 | -159.6 | 0 | 0 | 0 | 0 | 0 | 119.7 | P91 A92 S98 | P91-G94 PolarHBondContact O-N 3.49Å; A92-G94 PolarHBondContact O-N 2.93Å; G94-S98 PolarHBondContact O-OG 3.34Å |
| 95 | E | 52.1 | Low | 65.9 | Low | 188 Ų | 188 | 86 Ų | 86 | 88% | 0.879 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130.4 | -11.8 | -174.4 | -152.6 | 149.7 | 82.5 | 0 | 0 | 116.1 | A93 | A93-E95 PolarHBondContact O-N 2.84Š|
| 96 | Q | 50.7 | Low | 63.9 | Low | 197 Ų | 197 | 88.8 Ų | 88.8 | 92% | 0.921 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128 | -4.8 | 176 | -63.2 | -168.7 | -21.9 | 0 | 0 | 114.4 | ||
| 97 | N | 44.5 | Very low | 61.9 | Low | 37 Ų | 37 | 91.2 Ų | 91.2 | 20% | 0.198 | 53% | 0.533 | C | S | . | . | S | Bend | trans | -121.2 | -1 | -175.6 | -160.8 | 18.5 | 0 | 0 | 0 | 114.1 | A99 E100 L101 | N97-A99 PolarHBondContact O-N 3.48Å; N97-A99 VanDerWaalsContact O-N 3.13Å; N97-E100 PolarHBondContact O-N 2.91Å; N97-L101 WeakPolarHBondContact ND2-CD1 3.42Å |
| 98 | S | 48.4 | Very low | 59.9 | Low | 85 Ų | 85 | 96.8 Ų | 96.8 | 59% | 0.594 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.1 | -12 | 179.6 | -63.6 | 0 | 0 | 0 | 0 | 114.2 | G94 | G94-S98 PolarHBondContact O-OG 3.34Š|
| 99 | A | 50 | Low | 57.8 | Low | 87 Ų | 87 | 90.8 Ų | 90.8 | 72% | 0.719 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.2 | -24.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | N97 | N97-A99 PolarHBondContact O-N 3.48Å; N97-A99 VanDerWaalsContact O-N 3.13Å |
| 100 | E | 47.1 | Very low | 56.1 | Low | 147 Ų | 147 | 95.2 Ų | 95.2 | 69% | 0.687 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.1 | -27.5 | -167.4 | -157 | 139.3 | 84.3 | 0 | 0 | 113.6 | N97 | N97-E100 PolarHBondContact O-N 2.91Š|
| 101 | L | 49 | Very low | 54 | Low | 119 Ų | 119 | 100 Ų | 100 | 62% | 0.623 | 62% | 0.62 | S | S | * | * | G | 310 helix | trans | -81.4 | -9.2 | 173.7 | -91.6 | 100.7 | 0 | 0 | 0 | 115 | N97 L103 | N97-L101 WeakPolarHBondContact ND2-CD1 3.42Å; L101-L103 VanDerWaalsContact C-N 3.27Å |
| 102 | A | 51 | Low | 52.1 | Low | 71 Ų | 71 | 103.5 Ų | 103.5 | 59% | 0.587 | 63% | 0.633 | S | S | * | * | G | 310 helix | trans | -75.6 | -15.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 103 | L | 55.3 | Low | 50.1 | Low | 149 Ų | 149 | 111.2 Ų | 111.2 | 78% | 0.78 | 67% | 0.666 | S | S | * | * | G | 310 helix | trans | -91.1 | -7.8 | -177.7 | -87.2 | 155.5 | 0 | 0 | 0 | 114.3 | L101 | L101-L103 VanDerWaalsContact C-N 3.27Š|
| 104 | S | 53 | Low | 49 | Very low | 94 Ų | 94 | 111.6 Ų | 111.6 | 66% | 0.657 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -105.5 | -5.1 | -169.1 | -42.2 | 0 | 0 | 0 | 0 | 114.5 | ||
| 105 | N | 45.7 | Very low | 49.3 | Very low | 108 Ų | 108 | 115.7 Ų | 115.7 | 58% | 0.578 | 69% | 0.685 | S | S | * | * | trans | -150.6 | 88.8 | -178.4 | -151.3 | 29.2 | 0 | 0 | 0 | 112.2 | S107 | N105-S107 PolarHBondContact O-N 3.41Š| ||
| 106 | P | 44.8 | Very low | 49.9 | Very low | 139 Ų | 139 | 115.2 Ų | 115.2 | 90% | 0.903 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.5 | 17.9 | -173.8 | 29.3 | -35 | 0 | 0 | 0 | 115.2 | ||
| 107 | S | 46.8 | Very low | 50.6 | Low | 104 Ų | 104 | 108.1 Ų | 108.1 | 73% | 0.727 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127 | -5.5 | -170.6 | -163 | 0 | 0 | 0 | 0 | 116.4 | N105 | N105-S107 PolarHBondContact O-N 3.41Š|
| 108 | V | 50.6 | Low | 51.8 | Low | 119 Ų | 119 | 113.2 Ų | 113.2 | 72% | 0.721 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -149.5 | 83.9 | 171.5 | -172.7 | 0 | 0 | 0 | 0 | 107.7 | ||
| 109 | G | 46.5 | Very low | 53 | Low | 58 Ų | 58 | 116.7 Ų | 116.7 | 60% | 0.598 | 70% | 0.696 | S | S | * | * | trans | -66.7 | 151.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 110 | P | 54.6 | Low | 54.2 | Low | 105 Ų | 105 | 116.9 Ų | 116.9 | 68% | 0.682 | 68% | 0.683 | S | S | * | * | trans | -54.4 | 149 | 164.3 | 26.4 | -32.5 | 0 | 0 | 0 | 108.4 | L112 | P110-L112 PolarHBondContact O-N 3.31Š| ||
| 111 | P | 46.9 | Very low | 55.7 | Low | 116 Ų | 116 | 114.5 Ų | 114.5 | 75% | 0.753 | 68% | 0.676 | S | S | * | * | trans | -52.7 | 114.1 | 174.9 | 22.5 | -30 | 0 | 0 | 0 | 106.2 | E113 | P111-E113 PolarHBondContact O-N 3.21Š| ||
| 112 | L | 47.4 | Very low | 57.1 | Low | 154 Ų | 154 | 114 Ų | 114 | 81% | 0.806 | 68% | 0.68 | S | S | * | * | trans | -65 | 87.7 | 166.1 | -165.5 | 83.1 | 0 | 0 | 0 | 103.1 | P110 S114 | P110-L112 PolarHBondContact O-N 3.31Å; L112-S114 PolarHBondContact O-N 3.44Å | ||
| 113 | E | 43.4 | Very low | 58.4 | Low | 181 Ų | 181 | 119 Ų | 119 | 85% | 0.846 | 69% | 0.691 | S | S | * | * | trans | -61.1 | 81.1 | 158.2 | -109.3 | 179 | 76.9 | 0 | 0 | 104 | P111 | P111-E113 PolarHBondContact O-N 3.21Š| ||
| 114 | S | 48 | Very low | 59.7 | Low | 44 Ų | 44 | 113.8 Ų | 113.8 | 31% | 0.308 | 67% | 0.669 | S | S | . | * | trans | -53.6 | 131.2 | 165.6 | -67.1 | 0 | 0 | 0 | 0 | 104 | L112 Y116 G117 | L112-S114 PolarHBondContact O-N 3.44Å; S114-Y116 PolarHBondContact O-N 3.06Å; S114-G117 PolarHBondContact O-N 2.75Å | ||
| 115 | P | 59.3 | Low | 61.1 | Low | 127 Ų | 127 | 110.8 Ų | 110.8 | 83% | 0.825 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.8 | -8.2 | -179.6 | 20.4 | -31.3 | 0 | 0 | 0 | 113.2 | ||
| 116 | Y | 64 | Low | 62.8 | Low | 179 Ų | 179 | 109.1 Ų | 109.1 | 70% | 0.702 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.5 | 6 | 178.9 | -63.6 | -78.4 | 0 | 0 | 0 | 115.1 | S114 | S114-Y116 PolarHBondContact O-N 3.06Š|
| 117 | G | 66.4 | Low | 64.7 | Low | 47 Ų | 47 | 109 Ų | 109 | 49% | 0.485 | 63% | 0.632 | S | S | . | * | trans | 76.6 | -168.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | S114 | S114-G117 PolarHBondContact O-N 2.75Š| ||
| 118 | D | 69.9 | Low | 66.6 | Low | 145 Ų | 145 | 105.3 Ų | 105.3 | 78% | 0.775 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -69.2 | 157 | 177.5 | -155.1 | -81.3 | 0 | 0 | 0 | 111.3 | I120 | D118-I120 WeakPolarHBondContact O-CG1 3.47Å; D118-I120 PolarHBondContact O-N 3.19Å |
| 119 | N | 74.2 | Confident | 68.3 | Low | 158 Ų | 158 | 101.2 Ų | 101.2 | 85% | 0.845 | 58% | 0.582 | S | S | * | * | trans | -74 | 114.8 | 178.6 | -93.5 | -88.8 | 0 | 0 | 0 | 109.6 | ||||
| 120 | I | 74.4 | Confident | 70.1 | Confident | 90 Ų | 90 | 100.4 Ų | 100.4 | 46% | 0.462 | 57% | 0.567 | S | S | . | * | trans | -102.1 | 135.9 | -179.3 | -50.2 | -173.8 | 0 | 0 | 0 | 109 | D118 A124 A128 | D118-I120 WeakPolarHBondContact O-CG1 3.47Å; D118-I120 PolarHBondContact O-N 3.19Å; I120-A124 HydrophobicContact CG2-CB 3.75Å; I120-A128 HydrophobicContact CD1-CB 3.29Å; I120-A128 HydrophobicContact CG2-CB 4.11Å | ||
| 121 | D | 79.5 | Confident | 71.7 | Confident | 98 Ų | 98 | 104.2 Ų | 104.2 | 52% | 0.524 | 57% | 0.568 | S | S | . | * | trans | -55.2 | 136.1 | 171.9 | -169.6 | -81.2 | 0 | 0 | 0 | 110.3 | Q123 A124 A125 | D121-Q123 PolarHBondContact O-N 2.76Å; D121-Q123 WeakPolarHBondContact OD1-CB 3.22Å; D121-Q123 PolarHBondContact OD1-N 2.69Å; D121-A124 HydrophobicContact CB-CB 4.37Å; D121-A124 WeakPolarHBondContact O-CA 3.48Å; D121-A124 PolarHBondContact O-N 2.98Å; D121-A125 PolarHBondContact O-N 2.87Å | ||
| 122 | P | 77.7 | Confident | 73.6 | Confident | 109 Ų | 109 | 101.3 Ų | 101.3 | 71% | 0.708 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.6 | -26.6 | -176.5 | 22.5 | -35 | 0 | 0 | 0 | 113.5 | ||
| 123 | Q | 79 | Confident | 75.5 | Confident | 175 Ų | 175 | 94.3 Ų | 94.3 | 82% | 0.818 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -29.2 | 174.3 | -68.2 | -162.2 | -105.5 | 0 | 0 | 113.3 | D121 | D121-Q123 PolarHBondContact O-N 2.76Å; D121-Q123 WeakPolarHBondContact OD1-CB 3.22Å; D121-Q123 PolarHBondContact OD1-N 2.69Å |
| 124 | A | 81.8 | Confident | 77.5 | Confident | 39 Ų | 39 | 88.7 Ų | 88.7 | 32% | 0.322 | 50% | 0.502 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -14.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | I120 D121 E127 A128 | I120-A124 HydrophobicContact CG2-CB 3.75Å; D121-A124 HydrophobicContact CB-CB 4.37Å; D121-A124 WeakPolarHBondContact O-CA 3.48Å; D121-A124 PolarHBondContact O-N 2.98Å; A124-E127 PolarHBondContact O-N 2.93Å; A124-A128 PolarHBondContact O-N 2.91Å |
| 125 | A | 82 | Confident | 79.5 | Confident | 31 Ų | 31 | 90.9 Ų | 90.9 | 26% | 0.256 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -49 | -48.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | D121 E127 A128 I129 | D121-A125 PolarHBondContact O-N 2.87Å; A125-E127 PolarHBondContact O-N 2.82Å; A125-A128 PolarHBondContact O-N 2.88Å; A125-I129 WeakPolarHBondContact O-CD1 3.39Å; A125-I129 VanDerWaalsContact O-CG1 3.23Å; A125-I129 WeakPolarHBondContact O-CG1 3.5Å; A125-I129 PolarHBondContact O-N 3.44Å |
| 126 | P | 81.9 | Confident | 80.8 | Confident | 73 Ų | 73 | 87.4 Ų | 87.4 | 47% | 0.474 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.7 | -37.1 | -179.1 | 24.9 | -34.7 | 0 | 0 | 0 | 113 | S130 | P126-S130 WeakPolarHBondContact O-CB 3.35Å; P126-S130 PolarHBondContact O-N 3.49Å |
| 127 | E | 85 | Confident | 82 | Confident | 137 Ų | 137 | 81.4 Ų | 81.4 | 64% | 0.64 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -69.6 | -39.3 | 176.1 | -72 | -161 | 86.6 | 0 | 0 | 111.8 | A124 A125 S130 R131 | A124-E127 PolarHBondContact O-N 2.93Å; A125-E127 PolarHBondContact O-N 2.82Å; E127-S130 WeakPolarHBondContact O-CB 3.49Å; E127-S130 PolarHBondContact O-N 2.87Å; E127-R131 WeakPolarHBondContact O-CB 3.28Å; E127-R131 PolarHBondContact O-N 2.77Å |
| 128 | A | 85.7 | Confident | 83 | Confident | 26 Ų | 26 | 84 Ų | 84 | 22% | 0.215 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -64.5 | -43.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | I120 A124 A125 S130 R131 A132 | I120-A128 HydrophobicContact CD1-CB 3.29Å; I120-A128 HydrophobicContact CG2-CB 4.11Å; A124-A128 PolarHBondContact O-N 2.91Å; A125-A128 PolarHBondContact O-N 2.88Å; A128-S130 VanDerWaalsContact C-N 3.34Å; A128-R131 PolarHBondContact O-N 3Å; A128-A132 VanDerWaalsContact O-CB 3.3Å; A128-A132 WeakPolarHBondContact O-CB 3.35Å; A128-A132 PolarHBondContact O-N 3.16Å |
| 129 | I | 86.2 | Confident | 83.9 | Confident | 33 Ų | 33 | 84.8 Ų | 84.8 | 17% | 0.169 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -61.2 | -45.2 | 173.7 | -66.8 | 164 | 0 | 0 | 0 | 109.9 | A125 R131 A132 V133 Q168 A172 | A125-I129 WeakPolarHBondContact O-CD1 3.39Å; A125-I129 VanDerWaalsContact O-CG1 3.23Å; A125-I129 WeakPolarHBondContact O-CG1 3.5Å; A125-I129 PolarHBondContact O-N 3.44Å; I129-R131 VanDerWaalsContact C-N 3.34Å; I129-R131 PolarHBondContact O-N 2.91Å; I129-A132 PolarHBondContact O-N 3.39Å; I129-V133 HydrophobicContact CG2-CG2 4.2Å; I129-V133 WeakPolarHBondContact O-CB 3.12Å; I129-V133 VanDerWaalsContact O-CG2 3.31Å; I129-V133 WeakPolarHBondContact O-CG2 3.42Å; I129-V133 PolarHBondContact O-N 3.43Å; I129-Q168 HydrophobicContact CD1-CB 4.13Å; I129-A172 HydrophobicContact CG2-CB 3.71Å |
| 130 | S | 85.8 | Confident | 84.7 | Confident | 42 Ų | 42 | 82.7 Ų | 82.7 | 29% | 0.294 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -57.8 | -45.9 | 176.6 | -178.3 | 0 | 0 | 0 | 0 | 112.3 | P126 E127 A128 A134 Q175 | P126-S130 WeakPolarHBondContact O-CB 3.35Å; P126-S130 PolarHBondContact O-N 3.49Å; E127-S130 WeakPolarHBondContact O-CB 3.49Å; E127-S130 PolarHBondContact O-N 2.87Å; A128-S130 VanDerWaalsContact C-N 3.34Å; S130-A134 WeakPolarHBondContact O-CB 3.48Å; S130-A134 PolarHBondContact O-N 2.79Å; S130-Q175 PolarHBondContact OG-NE2 2.92Å; S130-Q175 VanDerWaalsContact OG-NE2 3.11Å |
| 131 | R | 87.4 | Confident | 85.3 | Confident | 185 Ų | 185 | 79 Ų | 79 | 70% | 0.698 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -64.8 | -41.9 | 176.6 | -172 | -179.5 | -66.3 | 156 | 2.2 | 112.1 | E127 A128 I129 A134 S135 | E127-R131 WeakPolarHBondContact O-CB 3.28Å; E127-R131 PolarHBondContact O-N 2.77Å; A128-R131 PolarHBondContact O-N 3Å; I129-R131 VanDerWaalsContact C-N 3.34Å; I129-R131 PolarHBondContact O-N 2.91Å; R131-A134 PolarHBondContact O-N 3.11Å; R131-S135 WeakPolarHBondContact O-CB 3.2Å; R131-S135 PolarHBondContact O-N 2.94Å; R131-S135 PolarHBondContact O-OG 2.75Å |
| 132 | A | 87.2 | Confident | 85.7 | Confident | 54 Ų | 54 | 81.4 Ų | 81.4 | 45% | 0.446 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -66.4 | -42.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | A128 I129 S135 L136 | A128-A132 VanDerWaalsContact O-CB 3.3Å; A128-A132 WeakPolarHBondContact O-CB 3.35Å; A128-A132 PolarHBondContact O-N 3.16Å; I129-A132 PolarHBondContact O-N 3.39Å; A132-S135 PolarHBondContact O-OG 3.11Å; A132-L136 WeakPolarHBondContact O-CG 3.05Å |
| 133 | V | 86.9 | Confident | 86.4 | Confident | 7 Ų | 7 | 79.8 Ų | 79.8 | 4% | 0.042 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -70.4 | -39.2 | 177.1 | 175.1 | 0 | 0 | 0 | 0 | 110.8 | I129 S135 L136 M141 A172 Q175 A176 | I129-V133 HydrophobicContact CG2-CG2 4.2Å; I129-V133 WeakPolarHBondContact O-CB 3.12Å; I129-V133 VanDerWaalsContact O-CG2 3.31Å; I129-V133 WeakPolarHBondContact O-CG2 3.42Å; I129-V133 PolarHBondContact O-N 3.43Å; V133-S135 VanDerWaalsContact C-N 3.29Å; V133-S135 PolarHBondContact O-N 3.19Å; V133-L136 WeakPolarHBondContact O-CB 3.46Å; V133-L136 PolarHBondContact O-N 3.27Å; V133-M141 WeakPolarHBondContact O-CE 3.49Å; V133-A172 HydrophobicContact CG2-CB 3.94Å; V133-Q175 HydrophobicContact CB-CG 4.28Å; V133-Q175 HydrophobicContact CG1-CG 4.32Å; V133-A176 HydrophobicContact CG1-CB 3.84Å |
| 134 | A | 86.2 | Confident | 86.9 | Confident | 64 Ų | 64 | 73.5 Ų | 73.5 | 53% | 0.529 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -70 | -22.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | S130 R131 L136 | S130-A134 WeakPolarHBondContact O-CB 3.48Å; S130-A134 PolarHBondContact O-N 2.79Å; R131-A134 PolarHBondContact O-N 3.11Å; A134-L136 VanDerWaalsContact C-N 3.35Å |
| 135 | S | 89.7 | Confident | 87.2 | Confident | 89 Ų | 89 | 72.9 Ų | 72.9 | 62% | 0.622 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -81.9 | -13.5 | 175.7 | 69.3 | 0 | 0 | 0 | 0 | 113.4 | R131 A132 V133 | R131-S135 WeakPolarHBondContact O-CB 3.2Å; R131-S135 PolarHBondContact O-N 2.94Å; R131-S135 PolarHBondContact O-OG 2.75Å; A132-S135 PolarHBondContact O-OG 3.11Å; V133-S135 VanDerWaalsContact C-N 3.29Å; V133-S135 PolarHBondContact O-N 3.19Å |
| 136 | L | 87 | Confident | 87.7 | Confident | 55 Ų | 55 | 76.4 Ų | 76.4 | 29% | 0.288 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -69.8 | 136.2 | 176.4 | -64.9 | 174.8 | 0 | 0 | 0 | 110.5 | A132 V133 A134 Q140 | A132-L136 WeakPolarHBondContact O-CG 3.05Å; V133-L136 WeakPolarHBondContact O-CB 3.46Å; V133-L136 PolarHBondContact O-N 3.27Å; A134-L136 VanDerWaalsContact C-N 3.35Å; L136-Q140 HydrophobicContact CB-CB 4.45Å |
| 137 | P | 89.4 | Confident | 88.1 | Confident | 53 Ų | 53 | 78.6 Ų | 78.6 | 34% | 0.344 | 41% | 0.409 | S | S | . | . | trans | -62.1 | 152.3 | 171.1 | 27.3 | -33.6 | 0 | 0 | 0 | 110.1 | E139 Q140 M141 | P137-E139 PolarHBondContact O-N 2.86Å; P137-E139 VanDerWaalsContact O-N 3.1Å; P137-Q140 HydrophobicContact CG-CB 3.99Å; P137-Q140 HydrophobicContact CG-CG 3.8Å; P137-Q140 PolarHBondContact O-N 2.75Å; P137-M141 PolarHBondContact O-N 3.23Å; P137-M141 VanDerWaalsContact O-N 3.12Å | ||
| 138 | P | 85.5 | Confident | 88.3 | Confident | 102 Ų | 102 | 73 Ų | 73 | 66% | 0.662 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -57.9 | -31.3 | -175 | 22.8 | -33.9 | 0 | 0 | 0 | 113 | M141 Y142 | P138-M141 PolarHBondContact O-N 3.01Å; P138-Y142 WeakPolarHBondContact O-CB 3.3Å; P138-Y142 PolarHBondContact O-N 2.83Å |
| 139 | E | 90.1 | Very high | 88.5 | Confident | 160 Ų | 160 | 78.1 Ų | 78.1 | 75% | 0.748 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -63.2 | -45.1 | 176 | -64.4 | 173.2 | 96.3 | 0 | 0 | 112.2 | P137 M141 Y142 E143 | P137-E139 PolarHBondContact O-N 2.86Å; P137-E139 VanDerWaalsContact O-N 3.1Å; E139-M141 VanDerWaalsContact C-N 3.33Å; E139-Y142 PolarHBondContact O-N 2.87Å; E139-E143 PolarHBondContact O-N 3.39Å |
| 140 | Q | 89.7 | Confident | 88.8 | Confident | 115 Ų | 115 | 81.2 Ų | 81.2 | 54% | 0.537 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -68.1 | -37 | 177.4 | -77.3 | -163.7 | 73.5 | 0 | 0 | 111.5 | L136 P137 Y142 E143 L144 | L136-Q140 HydrophobicContact CB-CB 4.45Å; P137-Q140 HydrophobicContact CG-CB 3.99Å; P137-Q140 HydrophobicContact CG-CG 3.8Å; P137-Q140 PolarHBondContact O-N 2.75Å; Q140-Y142 VanDerWaalsContact C-N 3.33Å; Q140-Y142 PolarHBondContact O-N 2.88Å; Q140-E143 PolarHBondContact O-N 3.18Å; Q140-L144 WeakPolarHBondContact O-CB 3.4Å; Q140-L144 PolarHBondContact O-N 2.81Å |
| 141 | M | 87 | Confident | 89 | Confident | 12 Ų | 12 | 80.7 Ų | 80.7 | 6% | 0.059 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -64.8 | -40.6 | 176.3 | -154.7 | -177 | -57.1 | 0 | 0 | 110.9 | V133 P137 P138 E139 L144 M145 A176 V179 M180 | V133-M141 WeakPolarHBondContact O-CE 3.49Å; P137-M141 PolarHBondContact O-N 3.23Å; P137-M141 VanDerWaalsContact O-N 3.12Å; P138-M141 PolarHBondContact O-N 3.01Å; E139-M141 VanDerWaalsContact C-N 3.33Å; M141-L144 WeakPolarHBondContact O-CB 3.38Å; M141-L144 PolarHBondContact O-N 3.4Å; M141-M145 PolarHBondContact O-N 3.27Å; M141-M145 VanDerWaalsContact O-N 3.09Å; M141-A176 HydrophobicContact CG-CB 4.08Å; M141-A176 HydrophobicContact SD-CB 4.45Å; M141-V179 HydrophobicContact CE-CG1 3.91Å; M141-V179 HydrophobicContact SD-CB 4.1Å; M141-V179 HydrophobicContact SD-CG1 3.77Å; M141-M180 HydrophobicContact CB-CE 3.43Å; M141-M180 VanDerWaalsContact CB-CE 3.43Å; M141-M180 HydrophobicContact CG-CE 3.41Å; M141-M180 VanDerWaalsContact CG-CE 3.41Å; M141-M180 HydrophobicContact CG-CG 4.42Å; M141-M180 WeakPolarHBondContact O-CE 3.43Å; M141-M180 HydrophobicContact SD-CE 3.91Å; M141-M180 HydrophobicContact SD-CG 3.86Å |
| 142 | Y | 89.5 | Confident | 89.3 | Confident | 149 Ų | 149 | 75.8 Ų | 75.8 | 58% | 0.584 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -66 | -43.1 | 176.4 | -177.6 | -95.6 | 0 | 0 | 0 | 111.5 | P138 E139 Q140 L144 M145 K146 | P138-Y142 WeakPolarHBondContact O-CB 3.3Å; P138-Y142 PolarHBondContact O-N 2.83Å; E139-Y142 PolarHBondContact O-N 2.87Å; Q140-Y142 VanDerWaalsContact C-N 3.33Å; Q140-Y142 PolarHBondContact O-N 2.88Å; Y142-L144 VanDerWaalsContact C-N 3.32Å; Y142-L144 PolarHBondContact O-N 3.45Å; Y142-M145 PolarHBondContact O-N 2.8Å; Y142-K146 HydrophobicContact CE1-CD 4.3Å; Y142-K146 WeakPolarHBondContact O-CB 3.18Å; Y142-K146 PolarHBondContact O-N 2.9Å |
| 143 | E | 90.8 | Very high | 89.6 | Confident | 74 Ų | 74 | 79.4 Ų | 79.4 | 35% | 0.346 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -63.5 | -39.1 | 176.7 | -162.1 | 60.9 | -147.3 | 0 | 0 | 111.3 | E139 Q140 M145 K146 Q147 | E139-E143 PolarHBondContact O-N 3.39Å; Q140-E143 PolarHBondContact O-N 3.18Å; E143-M145 PolarHBondContact O-N 2.92Å; E143-K146 PolarHBondContact O-N 2.79Å; E143-K146 IonicContact OE1-NZ 2.99Å; E143-K146 PolarHBondContact OE1-NZ 2.82Å; E143-K146 IonicContact OE2-NZ 3.16Å; E143-K146 PolarHBondContact OE2-NZ 3.36Å; E143-K146 VanDerWaalsContact OE2-NZ 3.16Å; E143-Q147 HydrophobicContact CG-CG 4.5Å; E143-Q147 WeakPolarHBondContact O-CB 3.49Å; E143-Q147 VanDerWaalsContact O-CG 3.31Å; E143-Q147 WeakPolarHBondContact O-CG 3.34Å; E143-Q147 PolarHBondContact O-N 3.19Å |
| 144 | L | 90.3 | Very high | 89.9 | Confident | 44 Ų | 44 | 84 Ų | 84 | 23% | 0.23 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -57.5 | -48.7 | 172.9 | 176 | 65.4 | 0 | 0 | 0 | 111.8 | Q140 M141 Y142 K146 Q147 M148 L173 | Q140-L144 WeakPolarHBondContact O-CB 3.4Å; Q140-L144 PolarHBondContact O-N 2.81Å; M141-L144 WeakPolarHBondContact O-CB 3.38Å; M141-L144 PolarHBondContact O-N 3.4Å; Y142-L144 VanDerWaalsContact C-N 3.32Å; Y142-L144 PolarHBondContact O-N 3.45Å; L144-K146 VanDerWaalsContact C-N 3.33Å; L144-K146 PolarHBondContact O-N 2.88Å; L144-Q147 PolarHBondContact O-N 2.86Å; L144-M148 WeakPolarHBondContact O-CB 3Å; L144-M148 PolarHBondContact O-N 3.21Å; L144-L173 HydrophobicContact CD1-CD2 4.13Å; L144-L173 HydrophobicContact CD2-CD2 4.3Å; L144-L173 HydrophobicContact CG-CD2 4Å |
| 145 | M | 88.9 | Confident | 90.3 | Very high | 25 Ų | 25 | 85.1 Ų | 85.1 | 12% | 0.123 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -63.2 | -39.6 | 177.2 | -71.9 | -63 | 100.5 | 0 | 0 | 112.2 | M141 Y142 E143 M148 K149 L173 A176 Q177 M180 | M141-M145 PolarHBondContact O-N 3.27Å; M141-M145 VanDerWaalsContact O-N 3.09Å; Y142-M145 PolarHBondContact O-N 2.8Å; E143-M145 PolarHBondContact O-N 2.92Å; M145-M148 PolarHBondContact O-N 3.41Å; M145-K149 WeakPolarHBondContact O-CB 3.35Å; M145-K149 PolarHBondContact O-N 2.74Å; M145-L173 HydrophobicContact CE-CB 4.27Å; M145-L173 HydrophobicContact CE-CD2 3.37Å; M145-L173 HydrophobicContact CE-CG 4.41Å; M145-A176 HydrophobicContact CE-CB 3.64Å; M145-A176 HydrophobicContact SD-CB 4.48Å; M145-Q177 HydrophobicContact SD-CG 3.77Å; M145-M180 HydrophobicContact CG-CE 4.19Å; M145-M180 HydrophobicContact CG-SD 3.8Å |
| 146 | K | 90.8 | Very high | 90.4 | Very high | 105 Ų | 105 | 84.4 Ų | 84.4 | 46% | 0.457 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -66.6 | -44.9 | 178.9 | 179.2 | -177.2 | 159.4 | -144.2 | 0 | 111.8 | Y142 E143 L144 K149 L150 | Y142-K146 HydrophobicContact CE1-CD 4.3Å; Y142-K146 WeakPolarHBondContact O-CB 3.18Å; Y142-K146 PolarHBondContact O-N 2.9Å; E143-K146 PolarHBondContact O-N 2.79Å; E143-K146 IonicContact OE1-NZ 2.99Å; E143-K146 PolarHBondContact OE1-NZ 2.82Å; E143-K146 IonicContact OE2-NZ 3.16Å; E143-K146 PolarHBondContact OE2-NZ 3.36Å; E143-K146 VanDerWaalsContact OE2-NZ 3.16Å; L144-K146 VanDerWaalsContact C-N 3.33Å; L144-K146 PolarHBondContact O-N 2.88Å; K146-K149 PolarHBondContact O-N 3.02Å; K146-L150 WeakPolarHBondContact O-CB 3.45Å; K146-L150 PolarHBondContact O-N 3.22Å |
| 147 | Q | 91.1 | Very high | 90.7 | Very high | 119 Ų | 119 | 87.6 Ų | 87.6 | 56% | 0.556 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -61.6 | -44.2 | 175.4 | -74.4 | 178.5 | -11.8 | 0 | 0 | 111.3 | E143 L144 K149 L150 C151 | E143-Q147 HydrophobicContact CG-CG 4.5Å; E143-Q147 WeakPolarHBondContact O-CB 3.49Å; E143-Q147 VanDerWaalsContact O-CG 3.31Å; E143-Q147 WeakPolarHBondContact O-CG 3.34Å; E143-Q147 PolarHBondContact O-N 3.19Å; L144-Q147 PolarHBondContact O-N 2.86Å; Q147-K149 PolarHBondContact O-N 3.43Å; Q147-L150 PolarHBondContact O-N 3.3Å; Q147-C151 WeakPolarHBondContact O-CB 3.31Å; Q147-C151 PolarHBondContact O-N 3.24Å |
| 148 | M | 89.3 | Confident | 90.7 | Very high | 20 Ų | 20 | 90.8 Ų | 90.8 | 10% | 0.099 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -61.7 | -44.4 | 175.8 | -179 | 53.4 | 58.2 | 0 | 0 | 111.7 | L144 M145 L150 C151 I152 M162 L163 L169 L173 | L144-M148 WeakPolarHBondContact O-CB 3Å; L144-M148 PolarHBondContact O-N 3.21Å; M145-M148 PolarHBondContact O-N 3.41Å; M148-L150 VanDerWaalsContact C-N 3.32Å; M148-L150 PolarHBondContact O-N 3.28Å; M148-C151 PolarHBondContact O-N 3.07Å; M148-I152 HydrophobicContact CG-CD1 3.98Å; M148-I152 VanDerWaalsContact O-CG1 3.31Å; M148-I152 WeakPolarHBondContact O-CG1 3.43Å; M148-I152 PolarHBondContact O-N 3.49Å; M148-I152 HydrophobicContact SD-CD1 3.96Å; M148-I152 HydrophobicContact SD-CG1 4.16Å; M148-M162 HydrophobicContact CE-CE 3.38Å; M148-M162 HydrophobicContact SD-CE 4.16Å; M148-L163 HydrophobicContact CE-CD2 4.12Å; M148-L163 HydrophobicContact SD-CD1 4.49Å; M148-L163 HydrophobicContact SD-CD2 4.47Å; M148-L169 HydrophobicContact CE-CD2 4.43Å; M148-L173 HydrophobicContact CB-CD2 4.05Å; M148-L173 HydrophobicContact CE-CD1 3.19Å; M148-L173 HydrophobicContact CE-CD2 4Å; M148-L173 HydrophobicContact CE-CG 4.21Å; M148-L173 HydrophobicContact CG-CD1 4.1Å; M148-L173 HydrophobicContact CG-CD2 4.05Å; M148-L173 HydrophobicContact SD-CD1 4.02Å |
| 149 | K | 90.6 | Very high | 91 | Very high | 133 Ų | 133 | 86 Ų | 86 | 58% | 0.578 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -59.3 | -44 | 175 | -175.5 | -179 | 178.4 | -176.4 | 0 | 111.6 | M145 K146 Q147 I152 Q153 | M145-K149 WeakPolarHBondContact O-CB 3.35Å; M145-K149 PolarHBondContact O-N 2.74Å; K146-K149 PolarHBondContact O-N 3.02Å; Q147-K149 PolarHBondContact O-N 3.43Å; K149-I152 PolarHBondContact O-N 2.87Å; K149-Q153 WeakPolarHBondContact O-CB 3.27Å; K149-Q153 VanDerWaalsContact O-CG 3.29Å; K149-Q153 WeakPolarHBondContact O-CG 3.33Å; K149-Q153 PolarHBondContact O-N 3.36Å |
| 150 | L | 92.1 | Very high | 91 | Very high | 99 Ų | 99 | 85 Ų | 85 | 52% | 0.518 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -64.4 | -42.4 | 178.4 | -172.1 | 68 | 0 | 0 | 0 | 111.6 | K146 Q147 M148 I152 Q153 N154 | K146-L150 WeakPolarHBondContact O-CB 3.45Å; K146-L150 PolarHBondContact O-N 3.22Å; Q147-L150 PolarHBondContact O-N 3.3Å; M148-L150 VanDerWaalsContact C-N 3.32Å; M148-L150 PolarHBondContact O-N 3.28Å; L150-I152 PolarHBondContact O-N 3.39Å; L150-Q153 PolarHBondContact O-N 3.49Å; L150-N154 VanDerWaalsContact CD1-ND2 3.32Å; L150-N154 WeakPolarHBondContact CD1-ND2 3.47Å; L150-N154 WeakPolarHBondContact CG-ND2 3.37Å; L150-N154 PolarHBondContact O-N 3.13Å; L150-N154 PolarHBondContact O-ND2 3.03Å |
| 151 | C | 90.2 | Very high | 91 | Very high | 30 Ų | 30 | 83.7 Ų | 83.7 | 20% | 0.203 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -59 | -46.4 | 176.2 | -179.3 | 0 | 0 | 0 | 0 | 111.5 | Q147 M148 Q153 N154 N155 | Q147-C151 WeakPolarHBondContact O-CB 3.31Å; Q147-C151 PolarHBondContact O-N 3.24Å; M148-C151 PolarHBondContact O-N 3.07Å; C151-Q153 VanDerWaalsContact C-N 3.34Å; C151-Q153 PolarHBondContact O-N 2.79Å; C151-N154 PolarHBondContact O-N 2.88Å; C151-N155 CarbonylContact O-C 3.56Å; C151-N155 PolarHBondContact O-N 2.97Å |
| 152 | I | 93.3 | Very high | 91.2 | Very high | 83 Ų | 83 | 85.8 Ų | 85.8 | 43% | 0.426 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -64 | -38.6 | 177.1 | -64.8 | 163.6 | 0 | 0 | 0 | 111.7 | M148 K149 L150 A159 | M148-I152 HydrophobicContact CG-CD1 3.98Å; M148-I152 VanDerWaalsContact O-CG1 3.31Å; M148-I152 WeakPolarHBondContact O-CG1 3.43Å; M148-I152 PolarHBondContact O-N 3.49Å; M148-I152 HydrophobicContact SD-CD1 3.96Å; M148-I152 HydrophobicContact SD-CG1 4.16Å; K149-I152 PolarHBondContact O-N 2.87Å; L150-I152 PolarHBondContact O-N 3.39Å; I152-A159 HydrophobicContact CB-CB 4.42Å; I152-A159 HydrophobicContact CG1-CB 3.74Å |
| 153 | Q | 93.1 | Very high | 91.2 | Very high | 129 Ų | 129 | 81 Ų | 81 | 60% | 0.603 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -70.9 | -38.2 | -179.3 | -76.8 | -178 | -11 | 0 | 0 | 113.3 | K149 L150 C151 | K149-Q153 WeakPolarHBondContact O-CB 3.27Å; K149-Q153 VanDerWaalsContact O-CG 3.29Å; K149-Q153 WeakPolarHBondContact O-CG 3.33Å; K149-Q153 PolarHBondContact O-N 3.36Å; L150-Q153 PolarHBondContact O-N 3.49Å; C151-Q153 VanDerWaalsContact C-N 3.34Å; C151-Q153 PolarHBondContact O-N 2.79Å |
| 154 | N | 93.9 | Very high | 91.1 | Very high | 105 Ų | 105 | 82.7 Ų | 82.7 | 56% | 0.561 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -78 | -47.7 | 179.4 | -74.9 | -87 | 0 | 0 | 0 | 111.1 | L150 C151 | L150-N154 VanDerWaalsContact CD1-ND2 3.32Å; L150-N154 WeakPolarHBondContact CD1-ND2 3.47Å; L150-N154 WeakPolarHBondContact CG-ND2 3.37Å; L150-N154 PolarHBondContact O-N 3.13Å; L150-N154 PolarHBondContact O-ND2 3.03Å; C151-N154 PolarHBondContact O-N 2.88Å |
| 155 | N | 93.3 | Very high | 91.1 | Very high | 86 Ų | 86 | 87.5 Ų | 87.5 | 46% | 0.46 | 43% | 0.432 | S | S | . | . | trans | -142.6 | 81.8 | -171 | -70.9 | 77.3 | 0 | 0 | 0 | 111.1 | C151 N157 E158 A159 | C151-N155 CarbonylContact O-C 3.56Å; C151-N155 PolarHBondContact O-N 2.97Å; N155-N157 VanDerWaalsContact C-N 3.29Å; N155-N157 PolarHBondContact O-N 2.79Å; N155-E158 HydrophobicContact CB-CB 3.77Å; N155-E158 PolarHBondContact O-N 3.32Å; N155-E158 VanDerWaalsContact O-N 3.13Å; N155-A159 PolarHBondContact O-N 3.42Å | ||
| 156 | P | 93.1 | Very high | 91 | Very high | 75 Ų | 75 | 88.4 Ų | 88.4 | 49% | 0.487 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -62.6 | -34.2 | -176 | 23.9 | -34.2 | 0 | 0 | 0 | 113.2 | R160 | P156-R160 WeakPolarHBondContact O-CB 3.46Å; P156-R160 PolarHBondContact O-N 3.29Å |
| 157 | N | 92.3 | Very high | 90.7 | Very high | 121 Ų | 121 | 86.7 Ų | 86.7 | 65% | 0.647 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -68.7 | -36.9 | 177.4 | -67.4 | -55 | 0 | 0 | 0 | 112.2 | N155 N161 | N155-N157 VanDerWaalsContact C-N 3.29Å; N155-N157 PolarHBondContact O-N 2.79Å; N157-N161 PolarHBondContact O-N 3.12Å; N157-N161 PolarHBondContact O-ND2 3.39Å |
| 158 | E | 90.4 | Very high | 90.6 | Very high | 121 Ų | 121 | 85.4 Ų | 85.4 | 57% | 0.565 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -70.7 | -46.7 | 176.7 | -173.4 | 175.6 | 87.7 | 0 | 0 | 110.2 | N155 R160 N161 M162 | N155-E158 HydrophobicContact CB-CB 3.77Å; N155-E158 PolarHBondContact O-N 3.32Å; N155-E158 VanDerWaalsContact O-N 3.13Å; E158-R160 VanDerWaalsContact C-N 3.27Å; E158-R160 PolarHBondContact O-N 3.46Å; E158-N161 PolarHBondContact O-N 3.38Å; E158-N161 VanDerWaalsContact O-N 3.12Å; E158-M162 WeakPolarHBondContact O-CB 3.42Å; E158-M162 PolarHBondContact O-N 2.96Å |
| 159 | A | 91.3 | Very high | 90.6 | Very high | 2 Ų | 2 | 86.7 Ų | 86.7 | 2% | 0.017 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -55.5 | -43.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | I152 N155 M162 L163 | I152-A159 HydrophobicContact CB-CB 4.42Å; I152-A159 HydrophobicContact CG1-CB 3.74Å; N155-A159 PolarHBondContact O-N 3.42Å; A159-M162 PolarHBondContact O-N 3.01Å; A159-L163 WeakPolarHBondContact O-CB 3.4Å; A159-L163 VanDerWaalsContact O-CG 3.23Å; A159-L163 WeakPolarHBondContact O-CG 3.32Å; A159-L163 PolarHBondContact O-N 3.21Å |
| 160 | R | 90.7 | Very high | 90.5 | Very high | 139 Ų | 139 | 82 Ų | 82 | 53% | 0.525 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -62.5 | -47.6 | 175.6 | -173.5 | -179.6 | -178.3 | -176.9 | 0.6 | 112 | P156 E158 M162 L163 L164 | P156-R160 WeakPolarHBondContact O-CB 3.46Å; P156-R160 PolarHBondContact O-N 3.29Å; E158-R160 VanDerWaalsContact C-N 3.27Å; E158-R160 PolarHBondContact O-N 3.46Å; R160-M162 VanDerWaalsContact C-N 3.34Å; R160-L163 PolarHBondContact O-N 3.01Å; R160-L164 HydrophobicContact CG-CD1 3.98Å; R160-L164 HydrophobicContact CG-CG 4.48Å; R160-L164 WeakPolarHBondContact O-CB 3.49Å; R160-L164 VanDerWaalsContact O-CG 3.27Å; R160-L164 WeakPolarHBondContact O-CG 3.09Å; R160-L164 PolarHBondContact O-N 2.85Å |
| 161 | N | 90.2 | Very high | 90.3 | Very high | 86 Ų | 86 | 82.8 Ų | 82.8 | 46% | 0.46 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -62.7 | -41.9 | 177.5 | -83.3 | -66.4 | 0 | 0 | 0 | 111.6 | N157 E158 L163 L164 Q165 | N157-N161 PolarHBondContact O-N 3.12Å; N157-N161 PolarHBondContact O-ND2 3.39Å; E158-N161 PolarHBondContact O-N 3.38Å; E158-N161 VanDerWaalsContact O-N 3.12Å; N161-L163 PolarHBondContact O-N 3.32Å; N161-L164 PolarHBondContact O-N 3.27Å; N161-Q165 VanDerWaalsContact O-CB 3.31Å; N161-Q165 WeakPolarHBondContact O-CB 3.13Å; N161-Q165 VanDerWaalsContact O-CG 3.26Å; N161-Q165 WeakPolarHBondContact O-CG 3.41Å; N161-Q165 PolarHBondContact O-N 2.95Å |
| 162 | M | 89.3 | Confident | 90.2 | Very high | 56 Ų | 56 | 82.2 Ų | 82.2 | 28% | 0.276 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -60.4 | -44.7 | 177.2 | -176.3 | -174.3 | 67.9 | 0 | 0 | 111.5 | M148 E158 A159 R160 N166 L169 | M148-M162 HydrophobicContact CE-CE 3.38Å; M148-M162 HydrophobicContact SD-CE 4.16Å; E158-M162 WeakPolarHBondContact O-CB 3.42Å; E158-M162 PolarHBondContact O-N 2.96Å; A159-M162 PolarHBondContact O-N 3.01Å; R160-M162 VanDerWaalsContact C-N 3.34Å; M162-N166 WeakPolarHBondContact O-CB 3.16Å; M162-N166 PolarHBondContact O-N 3.24Å; M162-N166 PolarHBondContact O-ND2 3.04Å; M162-L169 HydrophobicContact CE-CD2 3.92Å; M162-L169 HydrophobicContact CG-CD2 4.11Å; M162-L169 HydrophobicContact SD-CD2 4.11Å |
| 163 | L | 90.8 | Very high | 90.1 | Very high | 50 Ų | 50 | 78.7 Ų | 78.7 | 26% | 0.262 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -69.6 | -33.6 | 177.6 | -69.2 | 172.9 | 0 | 0 | 0 | 113 | M148 A159 R160 N161 L169 A170 L173 | M148-L163 HydrophobicContact CE-CD2 4.12Å; M148-L163 HydrophobicContact SD-CD1 4.49Å; M148-L163 HydrophobicContact SD-CD2 4.47Å; A159-L163 WeakPolarHBondContact O-CB 3.4Å; A159-L163 VanDerWaalsContact O-CG 3.23Å; A159-L163 WeakPolarHBondContact O-CG 3.32Å; A159-L163 PolarHBondContact O-N 3.21Å; R160-L163 PolarHBondContact O-N 3.01Å; N161-L163 PolarHBondContact O-N 3.32Å; L163-L169 HydrophobicContact CD2-CG 4.46Å; L163-A170 HydrophobicContact CD2-CB 4.19Å; L163-L173 HydrophobicContact CD2-CD1 3.4Å; L163-L173 VanDerWaalsContact CD2-CD1 3.4Å |
| 164 | L | 89.2 | Confident | 89.9 | Confident | 108 Ų | 108 | 73.7 Ų | 73.7 | 57% | 0.565 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -72.6 | -38.9 | 175.8 | -73.8 | 172 | 0 | 0 | 0 | 112.2 | R160 N161 | R160-L164 HydrophobicContact CG-CD1 3.98Å; R160-L164 HydrophobicContact CG-CG 4.48Å; R160-L164 WeakPolarHBondContact O-CB 3.49Å; R160-L164 VanDerWaalsContact O-CG 3.27Å; R160-L164 WeakPolarHBondContact O-CG 3.09Å; R160-L164 PolarHBondContact O-N 2.85Å; N161-L164 PolarHBondContact O-N 3.27Å |
| 165 | Q | 89.1 | Confident | 89.6 | Confident | 145 Ų | 145 | 71 Ų | 71 | 68% | 0.678 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -76.9 | -23.8 | 179.6 | -71.5 | 178.2 | -10.2 | 0 | 0 | 112.8 | N161 P167 | N161-Q165 VanDerWaalsContact O-CB 3.31Å; N161-Q165 WeakPolarHBondContact O-CB 3.13Å; N161-Q165 VanDerWaalsContact O-CG 3.26Å; N161-Q165 WeakPolarHBondContact O-CG 3.41Å; N161-Q165 PolarHBondContact O-N 2.95Å; Q165-P167 WeakPolarHBondContact O-CD 3.44Å |
| 166 | N | 86.6 | Confident | 89.3 | Confident | 45 Ų | 45 | 66.9 Ų | 66.9 | 24% | 0.241 | 34% | 0.34 | C | S | . | . | trans | -123.1 | 76.2 | -177.4 | -59.5 | -91.3 | 0 | 0 | 0 | 110.3 | M162 Q168 L169 A170 | M162-N166 WeakPolarHBondContact O-CB 3.16Å; M162-N166 PolarHBondContact O-N 3.24Å; M162-N166 PolarHBondContact O-ND2 3.04Å; N166-Q168 PolarHBondContact O-N 3.2Å; N166-L169 HydrophobicContact CB-CB 3.86Å; N166-L169 WeakPolarHBondContact O-CB 3.49Å; N166-L169 PolarHBondContact O-N 3.01Å; N166-A170 PolarHBondContact O-N 2.84Å | ||
| 167 | P | 85.9 | Confident | 89.1 | Confident | 68 Ų | 68 | 66.3 Ų | 66.3 | 44% | 0.442 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -57.9 | -35.7 | -179.6 | 23.3 | -34.2 | 0 | 0 | 0 | 112.4 | Q165 L169 A170 Y171 | Q165-P167 WeakPolarHBondContact O-CD 3.44Å; P167-L169 VanDerWaalsContact C-N 3.25Å; P167-L169 PolarHBondContact O-N 3.12Å; P167-A170 WeakPolarHBondContact O-CB 3.31Å; P167-A170 PolarHBondContact O-N 3.19Å; P167-A170 VanDerWaalsContact O-N 3.13Å; P167-Y171 WeakPolarHBondContact O-CD2 3.45Å; P167-Y171 PolarHBondContact O-N 3.37Å |
| 168 | Q | 87.6 | Confident | 88.9 | Confident | 92 Ų | 92 | 62.6 Ų | 62.6 | 43% | 0.43 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -59.6 | -36.1 | 176.1 | 62 | -87.7 | 58.6 | 0 | 0 | 112.5 | I129 N166 A172 | I129-Q168 HydrophobicContact CD1-CB 4.13Å; N166-Q168 PolarHBondContact O-N 3.2Å; Q168-A172 WeakPolarHBondContact O-CB 3.37Å; Q168-A172 PolarHBondContact O-N 3.5Å |
| 169 | L | 89.5 | Confident | 88.7 | Confident | 47 Ų | 47 | 60 Ų | 60 | 25% | 0.246 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -69.6 | -43.4 | 175.5 | 177.6 | 62.8 | 0 | 0 | 0 | 110.5 | M148 M162 L163 N166 P167 Y171 A172 L173 | M148-L169 HydrophobicContact CE-CD2 4.43Å; M162-L169 HydrophobicContact CE-CD2 3.92Å; M162-L169 HydrophobicContact CG-CD2 4.11Å; M162-L169 HydrophobicContact SD-CD2 4.11Å; L163-L169 HydrophobicContact CD2-CG 4.46Å; N166-L169 HydrophobicContact CB-CB 3.86Å; N166-L169 WeakPolarHBondContact O-CB 3.49Å; N166-L169 PolarHBondContact O-N 3.01Å; P167-L169 VanDerWaalsContact C-N 3.25Å; P167-L169 PolarHBondContact O-N 3.12Å; L169-Y171 VanDerWaalsContact C-N 3.34Å; L169-Y171 PolarHBondContact O-N 3.11Å; L169-A172 PolarHBondContact O-N 2.94Å; L169-L173 HydrophobicContact CD1-CD1 4.16Å; L169-L173 HydrophobicContact CD1-CG 4.23Å; L169-L173 HydrophobicContact CG-CD1 3.95Å; L169-L173 HydrophobicContact CG-CG 4.48Å; L169-L173 WeakPolarHBondContact O-CD1 3.23Å; L169-L173 VanDerWaalsContact O-CG 3.22Å; L169-L173 WeakPolarHBondContact O-CG 3.43Å; L169-L173 PolarHBondContact O-N 3.29Å |
| 170 | A | 88.8 | Confident | 88.4 | Confident | 36 Ų | 36 | 62.6 Ų | 62.6 | 30% | 0.298 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -59.2 | -44.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L163 N166 P167 L173 L174 | L163-A170 HydrophobicContact CD2-CB 4.19Å; N166-A170 PolarHBondContact O-N 2.84Å; P167-A170 WeakPolarHBondContact O-CB 3.31Å; P167-A170 PolarHBondContact O-N 3.19Å; P167-A170 VanDerWaalsContact O-N 3.13Å; A170-L173 PolarHBondContact O-N 3.2Å; A170-L174 PolarHBondContact O-N 2.81Å |
| 171 | Y | 87.6 | Confident | 88.1 | Confident | 115 Ų | 115 | 65 Ų | 65 | 45% | 0.451 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62.1 | -43.9 | 173.7 | -82.1 | -72.1 | 0 | 0 | 0 | 112.4 | P167 L169 L173 L174 Q175 L192 | P167-Y171 WeakPolarHBondContact O-CD2 3.45Å; P167-Y171 PolarHBondContact O-N 3.37Å; L169-Y171 VanDerWaalsContact C-N 3.34Å; L169-Y171 PolarHBondContact O-N 3.11Å; Y171-L173 VanDerWaalsContact C-N 3.32Å; Y171-L173 PolarHBondContact O-N 3Å; Y171-L174 PolarHBondContact O-N 3.43Å; Y171-Q175 WeakPolarHBondContact O-CB 3.42Å; Y171-Q175 PolarHBondContact O-N 3.29Å; Y171-L192 HydrophobicContact CD1-CD2 4.09Å; Y171-L192 HydrophobicContact CE1-CD1 4.2Å; Y171-L192 HydrophobicContact CE1-CD2 3.37Å; Y171-L192 HydrophobicContact CE1-CG 4.43Å |
| 172 | A | 89.2 | Confident | 87.9 | Confident | 18 Ų | 18 | 66 Ų | 66 | 15% | 0.149 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.6 | -40.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | I129 V133 Q168 L169 Q175 A176 | I129-A172 HydrophobicContact CG2-CB 3.71Å; V133-A172 HydrophobicContact CG2-CB 3.94Å; Q168-A172 WeakPolarHBondContact O-CB 3.37Å; Q168-A172 PolarHBondContact O-N 3.5Å; L169-A172 PolarHBondContact O-N 2.94Å; A172-Q175 PolarHBondContact O-N 2.86Å; A172-A176 WeakPolarHBondContact O-CB 3.46Å; A172-A176 PolarHBondContact O-N 2.74Å |
| 173 | L | 90.4 | Very high | 87.7 | Confident | 9 Ų | 9 | 64.5 Ų | 64.5 | 5% | 0.047 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -69.1 | -42.3 | 178 | -66.3 | 161.4 | 0 | 0 | 0 | 112 | L144 M145 M148 L163 L169 A170 Y171 Q175 A176 Q177 | L144-L173 HydrophobicContact CD1-CD2 4.13Å; L144-L173 HydrophobicContact CD2-CD2 4.3Å; L144-L173 HydrophobicContact CG-CD2 4Å; M145-L173 HydrophobicContact CE-CB 4.27Å; M145-L173 HydrophobicContact CE-CD2 3.37Å; M145-L173 HydrophobicContact CE-CG 4.41Å; M148-L173 HydrophobicContact CB-CD2 4.05Å; M148-L173 HydrophobicContact CE-CD1 3.19Å; M148-L173 HydrophobicContact CE-CD2 4Å; M148-L173 HydrophobicContact CE-CG 4.21Å; M148-L173 HydrophobicContact CG-CD1 4.1Å; M148-L173 HydrophobicContact CG-CD2 4.05Å; M148-L173 HydrophobicContact SD-CD1 4.02Å; L163-L173 HydrophobicContact CD2-CD1 3.4Å; L163-L173 VanDerWaalsContact CD2-CD1 3.4Å; L169-L173 HydrophobicContact CD1-CD1 4.16Å; L169-L173 HydrophobicContact CD1-CG 4.23Å; L169-L173 HydrophobicContact CG-CD1 3.95Å; L169-L173 HydrophobicContact CG-CG 4.48Å; L169-L173 WeakPolarHBondContact O-CD1 3.23Å; L169-L173 VanDerWaalsContact O-CG 3.22Å; L169-L173 WeakPolarHBondContact O-CG 3.43Å; L169-L173 PolarHBondContact O-N 3.29Å; A170-L173 PolarHBondContact O-N 3.2Å; Y171-L173 VanDerWaalsContact C-N 3.32Å; Y171-L173 PolarHBondContact O-N 3Å; L173-Q175 VanDerWaalsContact C-N 3.3Å; L173-Q175 PolarHBondContact O-N 2.95Å; L173-A176 PolarHBondContact O-N 3.47Å; L173-Q177 VanDerWaalsContact O-CG 3.32Å; L173-Q177 WeakPolarHBondContact O-CG 3.41Å; L173-Q177 PolarHBondContact O-N 2.96Å |
| 174 | L | 88.5 | Confident | 87.4 | Confident | 23 Ų | 23 | 66.8 Ų | 66.8 | 12% | 0.12 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -60.2 | -44.4 | 174.4 | -178.3 | 63.6 | 0 | 0 | 0 | 110.5 | A170 Y171 Q177 I178 A188 L192 | A170-L174 PolarHBondContact O-N 2.81Å; Y171-L174 PolarHBondContact O-N 3.43Å; L174-Q177 WeakPolarHBondContact O-CB 3.36Å; L174-Q177 PolarHBondContact O-N 3.24Å; L174-I178 HydrophobicContact CG-CD1 4.41Å; L174-I178 WeakPolarHBondContact O-CG1 3.44Å; L174-I178 PolarHBondContact O-N 3.49Å; L174-I178 VanDerWaalsContact O-N 3.08Å; L174-A188 HydrophobicContact CD1-CB 3.81Å; L174-A188 HydrophobicContact CD2-CB 4.21Å; L174-A188 HydrophobicContact CG-CB 4.12Å; L174-L192 HydrophobicContact CD2-CD1 3.99Å; L174-L192 HydrophobicContact CD2-CD2 3.84Å; L174-L192 HydrophobicContact CD2-CG 3.82Å |
| 175 | Q | 87.2 | Confident | 87 | Confident | 49 Ų | 49 | 65 Ų | 65 | 23% | 0.229 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.7 | -44.1 | 176.9 | -176.3 | 63.1 | 13.8 | 0 | 0 | 112 | S130 V133 Y171 A172 L173 Q177 I178 V179 | S130-Q175 PolarHBondContact OG-NE2 2.92Å; S130-Q175 VanDerWaalsContact OG-NE2 3.11Å; V133-Q175 HydrophobicContact CB-CG 4.28Å; V133-Q175 HydrophobicContact CG1-CG 4.32Å; Y171-Q175 WeakPolarHBondContact O-CB 3.42Å; Y171-Q175 PolarHBondContact O-N 3.29Å; A172-Q175 PolarHBondContact O-N 2.86Å; L173-Q175 VanDerWaalsContact C-N 3.3Å; L173-Q175 PolarHBondContact O-N 2.95Å; Q175-Q177 VanDerWaalsContact C-N 3.29Å; Q175-Q177 PolarHBondContact O-N 2.75Å; Q175-I178 PolarHBondContact O-N 3.48Å; Q175-I178 VanDerWaalsContact O-N 3.15Å; Q175-V179 WeakPolarHBondContact O-CG2 3.22Å; Q175-V179 PolarHBondContact O-N 3.44Å |
| 176 | A | 88.5 | Confident | 86.6 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -59.5 | -40.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | V133 M141 M145 A172 L173 I178 V179 M180 | V133-A176 HydrophobicContact CG1-CB 3.84Å; M141-A176 HydrophobicContact CG-CB 4.08Å; M141-A176 HydrophobicContact SD-CB 4.45Å; M145-A176 HydrophobicContact CE-CB 3.64Å; M145-A176 HydrophobicContact SD-CB 4.48Å; A172-A176 WeakPolarHBondContact O-CB 3.46Å; A172-A176 PolarHBondContact O-N 2.74Å; L173-A176 PolarHBondContact O-N 3.47Å; A176-I178 VanDerWaalsContact C-N 3.34Å; A176-I178 PolarHBondContact O-N 3.37Å; A176-V179 PolarHBondContact O-N 2.92Å; A176-M180 WeakPolarHBondContact O-CB 3.3Å; A176-M180 VanDerWaalsContact O-CG 3.3Å; A176-M180 WeakPolarHBondContact O-CG 3.16Å; A176-M180 PolarHBondContact O-N 3.34Å |
| 177 | Q | 87.8 | Confident | 86.5 | Confident | 62 Ų | 62 | 67.2 Ų | 67.2 | 29% | 0.29 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.5 | -36.5 | 175.7 | -72 | 173.4 | -6.1 | 0 | 0 | 113 | M145 L173 L174 Q175 K181 I182 V183 | M145-Q177 HydrophobicContact SD-CG 3.77Å; L173-Q177 VanDerWaalsContact O-CG 3.32Å; L173-Q177 WeakPolarHBondContact O-CG 3.41Å; L173-Q177 PolarHBondContact O-N 2.96Å; L174-Q177 WeakPolarHBondContact O-CB 3.36Å; L174-Q177 PolarHBondContact O-N 3.24Å; Q175-Q177 VanDerWaalsContact C-N 3.29Å; Q175-Q177 PolarHBondContact O-N 2.75Å; Q177-K181 PolarHBondContact O-N 3.25Å; Q177-I182 HydrophobicContact CB-CB 4.39Å; Q177-I182 PolarHBondContact O-N 2.96Å; Q177-V183 HydrophobicContact CB-CB 4.09Å; Q177-V183 HydrophobicContact CB-CG2 3.82Å; Q177-V183 HydrophobicContact CG-CG2 4.43Å; Q177-V183 PolarHBondContact O-N 3.02Å; Q177-V183 VanDerWaalsContact O-N 3.17Å |
| 178 | I | 88.3 | Confident | 86.1 | Confident | 43 Ų | 43 | 64 Ų | 64 | 22% | 0.221 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -68.3 | -46.8 | 175 | -62.5 | 164.1 | 0 | 0 | 0 | 110.4 | L174 Q175 A176 M180 K181 P185 A188 | L174-I178 HydrophobicContact CG-CD1 4.41Å; L174-I178 WeakPolarHBondContact O-CG1 3.44Å; L174-I178 PolarHBondContact O-N 3.49Å; L174-I178 VanDerWaalsContact O-N 3.08Å; Q175-I178 PolarHBondContact O-N 3.48Å; Q175-I178 VanDerWaalsContact O-N 3.15Å; A176-I178 VanDerWaalsContact C-N 3.34Å; A176-I178 PolarHBondContact O-N 3.37Å; I178-M180 VanDerWaalsContact C-N 3.28Å; I178-M180 PolarHBondContact O-N 3.03Å; I178-K181 PolarHBondContact O-N 3.13Å; I178-P185 HydrophobicContact CG2-CB 4.36Å; I178-A188 HydrophobicContact CD1-CB 3.53Å; I178-A188 HydrophobicContact CG1-CB 3.93Å |
| 179 | V | 86.2 | Confident | 85.5 | Confident | 66 Ų | 66 | 64.5 Ų | 64.5 | 40% | 0.4 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61.6 | -38.5 | 179.7 | 173.4 | 0 | 0 | 0 | 0 | 111.1 | M141 Q175 A176 K181 | M141-V179 HydrophobicContact CE-CG1 3.91Å; M141-V179 HydrophobicContact SD-CB 4.1Å; M141-V179 HydrophobicContact SD-CG1 3.77Å; Q175-V179 WeakPolarHBondContact O-CG2 3.22Å; Q175-V179 PolarHBondContact O-N 3.44Å; A176-V179 PolarHBondContact O-N 2.92Å; V179-K181 PolarHBondContact O-N 2.94Å |
| 180 | M | 84.5 | Confident | 84.9 | Confident | 57 Ų | 57 | 64.9 Ų | 64.9 | 28% | 0.281 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -1.8 | 174.7 | -70.6 | -162.1 | 169.3 | 0 | 0 | 114.6 | M141 M145 A176 I178 I182 | M141-M180 HydrophobicContact CB-CE 3.43Å; M141-M180 VanDerWaalsContact CB-CE 3.43Å; M141-M180 HydrophobicContact CG-CE 3.41Å; M141-M180 VanDerWaalsContact CG-CE 3.41Å; M141-M180 HydrophobicContact CG-CG 4.42Å; M141-M180 WeakPolarHBondContact O-CE 3.43Å; M141-M180 HydrophobicContact SD-CE 3.91Å; M141-M180 HydrophobicContact SD-CG 3.86Å; M145-M180 HydrophobicContact CG-CE 4.19Å; M145-M180 HydrophobicContact CG-SD 3.8Å; A176-M180 WeakPolarHBondContact O-CB 3.3Å; A176-M180 VanDerWaalsContact O-CG 3.3Å; A176-M180 WeakPolarHBondContact O-CG 3.16Å; A176-M180 PolarHBondContact O-N 3.34Å; I178-M180 VanDerWaalsContact C-N 3.28Å; I178-M180 PolarHBondContact O-N 3.03Å; M180-I182 HydrophobicContact CB-CD1 3.74Å; M180-I182 HydrophobicContact CB-CG1 3.76Å; M180-I182 HydrophobicContact CG-CD1 4.43Å; M180-I182 PolarHBondContact O-N 3.41Å; M180-I182 HydrophobicContact SD-CD1 3.83Å |
| 181 | K | 84.6 | Confident | 83.9 | Confident | 189 Ų | 189 | 68.6 Ų | 68.6 | 82% | 0.822 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | 28.2 | -174.1 | -58.4 | -177.1 | 170.8 | 171.9 | 0 | 113.6 | Q177 I178 V179 | Q177-K181 PolarHBondContact O-N 3.25Å; I178-K181 PolarHBondContact O-N 3.13Å; V179-K181 PolarHBondContact O-N 2.94Å |
| 182 | I | 85.7 | Confident | 83 | Confident | 109 Ų | 109 | 67.4 Ų | 67.4 | 56% | 0.559 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -78.4 | -39.5 | 172 | -61.1 | 170.4 | 0 | 0 | 0 | 109.3 | Q177 M180 | Q177-I182 HydrophobicContact CB-CB 4.39Å; Q177-I182 PolarHBondContact O-N 2.96Å; M180-I182 HydrophobicContact CB-CD1 3.74Å; M180-I182 HydrophobicContact CB-CG1 3.76Å; M180-I182 HydrophobicContact CG-CD1 4.43Å; M180-I182 PolarHBondContact O-N 3.41Å; M180-I182 HydrophobicContact SD-CD1 3.83Å |
| 183 | V | 85.5 | Confident | 81.6 | Confident | 23 Ų | 23 | 72.5 Ų | 72.5 | 14% | 0.139 | 38% | 0.378 | C | S | . | . | S | Bend | trans | -118.4 | 131.4 | 179.6 | 175.7 | 0 | 0 | 0 | 0 | 109.7 | Q177 V187 A188 | Q177-V183 HydrophobicContact CB-CB 4.09Å; Q177-V183 HydrophobicContact CB-CG2 3.82Å; Q177-V183 HydrophobicContact CG-CG2 4.43Å; Q177-V183 PolarHBondContact O-N 3.02Å; Q177-V183 VanDerWaalsContact O-N 3.17Å; V183-V187 HydrophobicContact CG1-CB 4.14Å; V183-V187 HydrophobicContact CG1-CG1 4.23Å; V183-A188 HydrophobicContact CG1-CB 4.13Å |
| 184 | D | 85.1 | Confident | 79.7 | Confident | 98 Ų | 98 | 81.9 Ų | 81.9 | 52% | 0.524 | 41% | 0.412 | S | S | . | . | trans | -68.4 | 135.4 | 175.4 | -134.3 | -90 | 0 | 0 | 0 | 109.8 | K186 V187 A188 | D184-K186 PolarHBondContact O-N 3.21Å; D184-V187 HydrophobicContact CB-CB 4.41Å; D184-V187 HydrophobicContact CB-CG2 3.98Å; D184-V187 WeakPolarHBondContact O-CA 3.5Å; D184-V187 WeakPolarHBondContact O-CB 3.23Å; D184-V187 PolarHBondContact O-N 2.96Å; D184-A188 PolarHBondContact O-N 3.32Å | ||
| 185 | P | 80.8 | Confident | 77.4 | Confident | 70 Ų | 70 | 86 Ų | 86 | 46% | 0.455 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -56.4 | -31.4 | -178 | 21.6 | -33.9 | 0 | 0 | 0 | 112.5 | I178 A188 I189 | I178-P185 HydrophobicContact CG2-CB 4.36Å; P185-A188 PolarHBondContact O-N 2.84Å; P185-I189 WeakPolarHBondContact O-CD1 3.29Å; P185-I189 VanDerWaalsContact O-CG1 3.26Å; P185-I189 WeakPolarHBondContact O-CG1 3.42Å; P185-I189 PolarHBondContact O-N 2.87Å |
| 186 | K | 81.3 | Confident | 75.3 | Confident | 167 Ų | 167 | 91 Ų | 91 | 73% | 0.726 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -64.4 | -39.4 | 175.2 | -63.2 | -179 | -177.1 | 176.8 | 0 | 112.5 | D184 A190 | D184-K186 PolarHBondContact O-N 3.21Å; K186-A190 PolarHBondContact O-N 3.28Å |
| 187 | V | 82.8 | Confident | 73 | Confident | 70 Ų | 70 | 98 Ų | 98 | 42% | 0.424 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -69.4 | -42.2 | 177.7 | 177.2 | 0 | 0 | 0 | 0 | 110 | V183 D184 I189 A190 M191 | V183-V187 HydrophobicContact CG1-CB 4.14Å; V183-V187 HydrophobicContact CG1-CG1 4.23Å; D184-V187 HydrophobicContact CB-CB 4.41Å; D184-V187 HydrophobicContact CB-CG2 3.98Å; D184-V187 WeakPolarHBondContact O-CA 3.5Å; D184-V187 WeakPolarHBondContact O-CB 3.23Å; D184-V187 PolarHBondContact O-N 2.96Å; V187-I189 PolarHBondContact O-N 3.42Å; V187-A190 WeakPolarHBondContact O-CB 3.48Å; V187-A190 PolarHBondContact O-N 3.23Å; V187-A190 VanDerWaalsContact O-N 3.14Å; V187-M191 HydrophobicContact CG1-CE 3.91Å; V187-M191 HydrophobicContact CG1-SD 4.45Å; V187-M191 WeakPolarHBondContact O-CG 3.43Å; V187-M191 PolarHBondContact O-N 2.91Å |
| 188 | A | 78 | Confident | 70.4 | Confident | 2 Ų | 2 | 103.2 Ų | 103.2 | 2% | 0.017 | 53% | 0.528 | C | S | . | . | H | α-helix | trans | -59.6 | -43.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L174 I178 V183 D184 P185 A190 M191 L192 | L174-A188 HydrophobicContact CD1-CB 3.81Å; L174-A188 HydrophobicContact CD2-CB 4.21Å; L174-A188 HydrophobicContact CG-CB 4.12Å; I178-A188 HydrophobicContact CD1-CB 3.53Å; I178-A188 HydrophobicContact CG1-CB 3.93Å; V183-A188 HydrophobicContact CG1-CB 4.13Å; D184-A188 PolarHBondContact O-N 3.32Å; P185-A188 PolarHBondContact O-N 2.84Å; A188-A190 VanDerWaalsContact C-N 3.3Å; A188-A190 PolarHBondContact O-N 3.41Å; A188-M191 WeakPolarHBondContact O-CB 3.47Å; A188-M191 PolarHBondContact O-N 2.78Å; A188-M191 VanDerWaalsContact O-N 3.16Å; A188-L192 WeakPolarHBondContact O-CG 3.34Å; A188-L192 PolarHBondContact O-N 3.23Å; A188-L192 VanDerWaalsContact O-N 3.08Å |
| 189 | I | 76 | Confident | 68.5 | Low | 102 Ų | 102 | 107.5 Ų | 107.5 | 52% | 0.523 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -62.5 | -39.2 | 175.8 | -65.3 | 162.4 | 0 | 0 | 0 | 111.1 | P185 V187 M191 L192 N193 | P185-I189 WeakPolarHBondContact O-CD1 3.29Å; P185-I189 VanDerWaalsContact O-CG1 3.26Å; P185-I189 WeakPolarHBondContact O-CG1 3.42Å; P185-I189 PolarHBondContact O-N 2.87Å; V187-I189 PolarHBondContact O-N 3.42Å; I189-M191 VanDerWaalsContact C-N 3.31Å; I189-M191 PolarHBondContact O-N 3.44Å; I189-L192 PolarHBondContact O-N 2.76Å; I189-N193 PolarHBondContact O-N 3.01Å; I189-N193 PolarHBondContact O-ND2 3.31Å |
| 190 | A | 75.8 | Confident | 66.6 | Low | 54 Ų | 54 | 109.4 Ų | 109.4 | 45% | 0.446 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -66.8 | -31.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | K186 V187 A188 R194 | K186-A190 PolarHBondContact O-N 3.28Å; V187-A190 WeakPolarHBondContact O-CB 3.48Å; V187-A190 PolarHBondContact O-N 3.23Å; V187-A190 VanDerWaalsContact O-N 3.14Å; A188-A190 VanDerWaalsContact C-N 3.3Å; A188-A190 PolarHBondContact O-N 3.41Å; A190-R194 PolarHBondContact O-N 3.43Å |
| 191 | M | 68.8 | Low | 65 | Low | 115 Ų | 115 | 112.2 Ų | 112.2 | 57% | 0.567 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -70.5 | -39.6 | 174.9 | -71.1 | -179.8 | 170.9 | 0 | 0 | 112.2 | V187 A188 I189 N193 R194 | V187-M191 HydrophobicContact CG1-CE 3.91Å; V187-M191 HydrophobicContact CG1-SD 4.45Å; V187-M191 WeakPolarHBondContact O-CG 3.43Å; V187-M191 PolarHBondContact O-N 2.91Å; A188-M191 WeakPolarHBondContact O-CB 3.47Å; A188-M191 PolarHBondContact O-N 2.78Å; A188-M191 VanDerWaalsContact O-N 3.16Å; I189-M191 VanDerWaalsContact C-N 3.31Å; I189-M191 PolarHBondContact O-N 3.44Å; M191-N193 VanDerWaalsContact C-N 3.31Å; M191-N193 PolarHBondContact O-N 3.05Å; M191-R194 PolarHBondContact O-N 2.96Å |
| 192 | L | 68.1 | Low | 63.2 | Low | 89 Ų | 89 | 108 Ų | 108 | 47% | 0.466 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -68.4 | -28.5 | 179.1 | -69.7 | 173.9 | 0 | 0 | 0 | 113.4 | Y171 L174 A188 I189 | Y171-L192 HydrophobicContact CD1-CD2 4.09Å; Y171-L192 HydrophobicContact CE1-CD1 4.2Å; Y171-L192 HydrophobicContact CE1-CD2 3.37Å; Y171-L192 HydrophobicContact CE1-CG 4.43Å; L174-L192 HydrophobicContact CD2-CD1 3.99Å; L174-L192 HydrophobicContact CD2-CD2 3.84Å; L174-L192 HydrophobicContact CD2-CG 3.82Å; A188-L192 WeakPolarHBondContact O-CG 3.34Å; A188-L192 PolarHBondContact O-N 3.23Å; A188-L192 VanDerWaalsContact O-N 3.08Å; I189-L192 PolarHBondContact O-N 2.76Å |
| 193 | N | 60.4 | Low | 61.6 | Low | 126 Ų | 126 | 111.2 Ų | 111.2 | 67% | 0.674 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.6 | -5.9 | -179.5 | -73.4 | -36.9 | 0 | 0 | 0 | 114.3 | I189 M191 S195 | I189-N193 PolarHBondContact O-N 3.01Å; I189-N193 PolarHBondContact O-ND2 3.31Å; M191-N193 VanDerWaalsContact C-N 3.31Å; M191-N193 PolarHBondContact O-N 3.05Å; N193-S195 PolarHBondContact O-N 2.9Å |
| 194 | R | 50.4 | Low | 60.2 | Low | 205 Ų | 205 | 115.4 Ų | 115.4 | 77% | 0.774 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -78.6 | 92.6 | 170.6 | -85.2 | -169.5 | -165.5 | -156.8 | 3.9 | 109.3 | A190 M191 H196 | A190-R194 PolarHBondContact O-N 3.43Å; M191-R194 PolarHBondContact O-N 2.96Å; R194-H196 PolarHBondContact O-N 3.42Å |
| 195 | S | 40.7 | Very low | 58.2 | Low | 109 Ų | 109 | 118.9 Ų | 118.9 | 76% | 0.762 | 65% | 0.647 | S | S | * | * | trans | -49.9 | 135.5 | 163.3 | -63 | 0 | 0 | 0 | 0 | 110 | N193 D197 | N193-S195 PolarHBondContact O-N 2.9Å; S195-D197 PolarHBondContact O-N 3.24Å | ||
| 196 | H | 42.1 | Very low | 56.4 | Low | 156 Ų | 156 | 124.1 Ų | 124.1 | 72% | 0.722 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -56.8 | 25.4 | -167.9 | -176.6 | 73.7 | 0 | 0 | 0 | 117.7 | R194 | R194-H196 PolarHBondContact O-N 3.42Š|
| 197 | D | 41.4 | Very low | 54.5 | Low | 147 Ų | 147 | 122.9 Ų | 122.9 | 79% | 0.786 | 67% | 0.667 | S | S | * | * | trans | -109.4 | 0.9 | -168.6 | -151.1 | -109.7 | 0 | 0 | 0 | 115.6 | S195 | S195-D197 PolarHBondContact O-N 3.24Š| ||
| 198 | Q | 33.1 | Very low | 52.7 | Low | 171 Ų | 171 | 126.3 Ų | 126.3 | 80% | 0.799 | 69% | 0.688 | S | S | * | * | trans | -138.8 | 79.4 | 179.6 | -73.3 | -178.8 | 44.7 | 0 | 0 | 112.4 | ||||
| 199 | I | 47.1 | Very low | 51.3 | Low | 132 Ų | 132 | 130.1 Ų | 130.1 | 68% | 0.677 | 72% | 0.715 | S | S | * | * | trans | -111.1 | 103.3 | 154 | -55.2 | 171.5 | 0 | 0 | 0 | 105.9 | ||||
| 200 | P | 47.2 | Very low | 50 | Low | 106 Ų | 106 | 134.2 Ų | 134.2 | 69% | 0.688 | 73% | 0.734 | S | S | * | * | trans | -60.2 | 134.5 | 166.7 | -13.7 | 26.9 | 0 | 0 | 0 | 108.2 | A202 | P200-A202 PolarHBondContact O-N 3.31Š| ||
| 201 | P | 49.4 | Very low | 48.5 | Very low | 117 Ų | 117 | 142.2 Ų | 142.2 | 76% | 0.76 | 75% | 0.753 | S | S | * | * | trans | -58 | 128.9 | 175 | 23.5 | -31 | 0 | 0 | 0 | 109 | M203 | P201-M203 PolarHBondContact O-N 2.99Š| ||
| 202 | A | 46.8 | Very low | 47.3 | Very low | 100 Ų | 100 | 141.6 Ų | 141.6 | 83% | 0.826 | 77% | 0.766 | S | S | * | * | trans | -54.8 | 113.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | P200 | P200-A202 PolarHBondContact O-N 3.31Š| ||
| 203 | M | 53.6 | Low | 46.6 | Very low | 176 Ų | 176 | 142.2 Ų | 142.2 | 87% | 0.867 | 78% | 0.775 | S | S | * | * | trans | -63.8 | 135.1 | 170.5 | -71 | -176.6 | -82.6 | 0 | 0 | 108.3 | P201 | P201-M203 PolarHBondContact O-N 2.99Š| ||
| 204 | P | 54.9 | Low | 46.1 | Very low | 112 Ų | 112 | 142.1 Ų | 142.1 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | trans | -69.1 | 145.1 | 174.9 | 29.7 | -32.1 | 0 | 0 | 0 | 110 | E206 | P204-E206 PolarHBondContact O-N 3.16Å; P204-E206 VanDerWaalsContact O-N 3.14Å | ||
| 205 | D | 42.9 | Very low | 46.1 | Very low | 170 Ų | 170 | 140.8 Ų | 140.8 | 91% | 0.909 | 78% | 0.784 | S | S | * | * | trans | -41.8 | 112.1 | 170.1 | -67.2 | -110.9 | 0 | 0 | 0 | 112.5 | ||||
| 206 | E | 44.3 | Very low | 46.2 | Very low | 181 Ų | 181 | 140.4 Ų | 140.4 | 85% | 0.846 | 79% | 0.787 | S | S | * | * | trans | -116.7 | 110.1 | 159.3 | -109.7 | -174.4 | 90.6 | 0 | 0 | 109.5 | P204 T208 | P204-E206 PolarHBondContact O-N 3.16Å; P204-E206 VanDerWaalsContact O-N 3.14Å; E206-T208 PolarHBondContact O-N 3.44Å | ||
| 207 | D | 41.6 | Very low | 46.3 | Very low | 140 Ų | 140 | 142.7 Ų | 142.7 | 75% | 0.749 | 80% | 0.795 | S | S | * | * | trans | -33.1 | 97.9 | 162.6 | -169.4 | -96.4 | 0 | 0 | 0 | 111.8 | S209 | D207-S209 PolarHBondContact O-N 2.84Š| ||
| 208 | T | 44.7 | Very low | 46.7 | Very low | 142 Ų | 142 | 141.4 Ų | 141.4 | 87% | 0.871 | 80% | 0.795 | S | S | * | * | trans | -82.4 | 79.7 | 165.5 | -59 | 0 | 0 | 0 | 0 | 108.3 | E206 | E206-T208 PolarHBondContact O-N 3.44Š| ||
| 209 | S | 48 | Very low | 47.2 | Very low | 83 Ų | 83 | 136.9 Ų | 136.9 | 58% | 0.58 | 79% | 0.794 | S | S | * | * | trans | -50 | 142 | 160.2 | -142.5 | 0 | 0 | 0 | 0 | 111.3 | D207 | D207-S209 PolarHBondContact O-N 2.84Š| ||
| 210 | M | 49.1 | Very low | 47.4 | Very low | 187 Ų | 187 | 138.4 Ų | 138.4 | 92% | 0.921 | 80% | 0.798 | S | S | * | * | trans | -26.3 | 128.2 | 167.3 | -66.7 | 166.6 | 175 | 0 | 0 | 114.4 | ||||
| 211 | R | 44.6 | Very low | 47.5 | Very low | 223 Ų | 223 | 139.8 Ų | 139.8 | 84% | 0.842 | 80% | 0.798 | S | S | * | * | trans | -146.2 | 90.5 | 160.4 | -162.5 | 165.1 | 163 | 179.8 | -6.5 | 112.8 | P213 | R211-P213 HydrophobicContact CG-CG 4.42Š| ||
| 212 | A | 44 | Very low | 47.1 | Very low | 102 Ų | 102 | 141.1 Ų | 141.1 | 84% | 0.843 | 80% | 0.799 | S | S | * | * | trans | -84.7 | 135 | 145.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 213 | P | 53.4 | Low | 46.8 | Very low | 101 Ų | 101 | 144 Ų | 144 | 66% | 0.656 | 80% | 0.795 | S | S | * | * | trans | -125.9 | 126.8 | 155.1 | 29 | -12.6 | 0 | 0 | 0 | 111.3 | R211 | R211-P213 HydrophobicContact CG-CG 4.42Š| ||
| 214 | V | 49.6 | Very low | 46.1 | Very low | 124 Ų | 124 | 140.7 Ų | 140.7 | 75% | 0.752 | 79% | 0.785 | S | S | * | * | trans | -84.1 | 137.1 | 172.5 | 53.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 215 | M | 49.8 | Very low | 45.7 | Very low | 177 Ų | 177 | 141.3 Ų | 141.3 | 87% | 0.872 | 79% | 0.787 | S | S | * | * | trans | 37.7 | 125.8 | 155.6 | -60.8 | -168.4 | -156.4 | 0 | 0 | 121.2 | ||||
| 216 | A | 42.7 | Very low | 46.2 | Very low | 101 Ų | 101 | 140.5 Ų | 140.5 | 84% | 0.835 | 78% | 0.777 | S | S | * | * | 171.5 | 131.4 | 103.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 217 | F | 44.5 | Very low | 46.5 | Very low | 205 Ų | 205 | 138 Ų | 138 | 90% | 0.899 | 78% | 0.775 | S | S | * | * | trans | -71.3 | -171.3 | 172.1 | -74.7 | -93.8 | 0 | 0 | 0 | 112.9 | ||||
| 218 | P | 49.4 | Very low | 47.1 | Very low | 120 Ų | 120 | 134.6 Ų | 134.6 | 78% | 0.779 | 77% | 0.772 | S | S | * | * | cis | -136.7 | 174.6 | -21.9 | 19.5 | 5 | 0 | 0 | 0 | 115 | ||||
| 219 | G | 43.7 | Very low | 47.9 | Very low | 75 Ų | 75 | 134 Ų | 134 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | trans | 104.5 | 143.7 | 148.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 220 | H | 51.4 | Low | 48 | Very low | 164 Ų | 164 | 138 Ų | 138 | 76% | 0.759 | 79% | 0.785 | S | S | * | * | cis | -170.6 | 151.9 | -1.8 | -167.6 | -113.1 | 0 | 0 | 0 | 105.3 | ||||
| 221 | I | 50.1 | Low | 48.6 | Very low | 136 Ų | 136 | 133 Ų | 133 | 70% | 0.697 | 77% | 0.774 | S | S | * | * | trans | 63.7 | 117.9 | 147.3 | 55.2 | 173.2 | 0 | 0 | 0 | 125.8 | ||||
| 222 | N | 41 | Very low | 49.2 | Very low | 145 Ų | 145 | 128.6 Ų | 128.6 | 78% | 0.775 | 77% | 0.774 | S | S | * | * | 103.6 | 92.7 | 112.2 | -158.8 | 43.7 | 0 | 0 | 0 | 121.7 | |||||
| 223 | Q | 39.3 | Very low | 49.4 | Very low | 161 Ų | 161 | 127.1 Ų | 127.1 | 75% | 0.752 | 77% | 0.769 | S | S | * | * | 24.9 | 128.1 | 122.4 | -121.6 | -179.5 | 98.9 | 0 | 0 | 123.5 | |||||
| 224 | T | 40.2 | Very low | 49.5 | Very low | 106 Ų | 106 | 128.7 Ų | 128.7 | 65% | 0.65 | 77% | 0.772 | S | S | * | * | trans | 83.5 | 146.3 | 133.2 | 24.5 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 225 | T | 45.7 | Very low | 49.7 | Very low | 125 Ų | 125 | 130.5 Ų | 130.5 | 77% | 0.767 | 77% | 0.772 | S | S | * | * | trans | 91 | 142.9 | 163.9 | 71.2 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 226 | H | 53.1 | Low | 49.7 | Very low | 152 Ų | 152 | 129.4 Ų | 129.4 | 70% | 0.704 | 77% | 0.766 | S | S | * | * | cis | -173.8 | 146.9 | 28.5 | -143.7 | -70 | 0 | 0 | 0 | 110.7 | ||||
| 227 | V | 50.8 | Low | 50.4 | Low | 130 Ų | 130 | 132.6 Ų | 132.6 | 79% | 0.788 | 77% | 0.766 | S | S | * | * | trans | 43.3 | 148.3 | 148.3 | -68.8 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 228 | G | 53.3 | Low | 50.7 | Low | 68 Ų | 68 | 127.9 Ų | 127.9 | 70% | 0.701 | 76% | 0.756 | S | S | * | * | cis | 166.3 | -166.1 | 22.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 229 | P | 62.3 | Low | 50.5 | Low | 129 Ų | 129 | 129.4 Ų | 129.4 | 84% | 0.838 | 76% | 0.756 | S | S | * | * | -131.3 | 169 | -111.3 | 39.6 | -24.8 | 0 | 0 | 0 | 116.5 | |||||
| 230 | N | 50 | Low | 50.6 | Low | 166 Ų | 166 | 130.7 Ų | 130.7 | 89% | 0.888 | 75% | 0.753 | S | S | * | * | trans | -168.1 | 152.1 | 130.2 | -138.2 | -18 | 0 | 0 | 0 | 114 | ||||
| 231 | A | 62.1 | Low | 50.3 | Low | 82 Ų | 82 | 128.3 Ų | 128.3 | 68% | 0.678 | 76% | 0.755 | S | S | * | * | trans | -121.7 | -155.7 | -162.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 232 | P | 57.7 | Low | 50.3 | Low | 131 Ų | 131 | 128.1 Ų | 128.1 | 85% | 0.851 | 76% | 0.763 | S | S | * | * | -135.2 | -179.5 | -73.6 | 37.3 | -19.8 | 0 | 0 | 0 | 114.4 | |||||
| 233 | G | 48.5 | Very low | 50.4 | Low | 71 Ų | 71 | 123.9 Ų | 123.9 | 73% | 0.732 | 75% | 0.753 | S | S | * | * | trans | 127.4 | 134.6 | 159.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 234 | N | 53.8 | Low | 51.1 | Low | 134 Ų | 134 | 121 Ų | 121 | 72% | 0.717 | 75% | 0.751 | S | S | * | * | cis | -165.3 | 137.8 | 8.1 | -141 | 31.8 | 0 | 0 | 0 | 105.9 | ||||
| 235 | H | 54.3 | Low | 51.8 | Low | 162 Ų | 162 | 124.3 Ų | 124.3 | 75% | 0.75 | 76% | 0.759 | S | S | * | * | trans | 54.3 | 139 | 139 | -66.6 | 62.8 | 0 | 0 | 0 | 119.3 | ||||
| 236 | M | 51.1 | Low | 52.1 | Low | 155 Ų | 155 | 126.3 Ų | 126.3 | 76% | 0.764 | 76% | 0.764 | S | S | * | * | cis | 178.6 | 120.4 | 9.2 | 173.7 | 80.6 | 173.1 | 0 | 0 | 105.3 | ||||
| 237 | M | 56.1 | Low | 52.6 | Low | 167 Ų | 167 | 124.4 Ų | 124.4 | 82% | 0.823 | 77% | 0.765 | S | S | * | * | trans | 45.6 | 157.5 | 140.5 | -63.2 | -73.9 | -93.3 | 0 | 0 | 123.4 | ||||
| 238 | P | 50.3 | Low | 53.1 | Low | 107 Ų | 107 | 123.7 Ų | 123.7 | 70% | 0.695 | 76% | 0.763 | S | S | * | * | trans | -113 | -175.2 | -142.8 | 43.1 | -33.7 | 0 | 0 | 0 | 114.7 | ||||
| 239 | I | 47 | Very low | 53.3 | Low | 152 Ų | 152 | 126.5 Ų | 126.5 | 78% | 0.779 | 77% | 0.772 | S | S | * | * | trans | 119.9 | 133.3 | 147 | -138.4 | -178.2 | 0 | 0 | 0 | 116.8 | ||||
| 240 | S | 44.4 | Very low | 52.7 | Low | 102 Ų | 102 | 123.3 Ų | 123.3 | 71% | 0.713 | 76% | 0.763 | S | S | * | * | trans | 75.9 | 122.8 | 153.7 | -58.6 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 241 | S | 45.4 | Very low | 53 | Low | 114 Ų | 114 | 125.7 Ų | 125.7 | 80% | 0.797 | 77% | 0.765 | S | S | * | * | trans | -33.1 | 166.5 | 155.4 | -29.2 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 242 | P | 50.4 | Low | 52.7 | Low | 132 Ų | 132 | 126.8 Ų | 126.8 | 86% | 0.857 | 77% | 0.766 | S | S | * | * | cis | -151.8 | -171.6 | 38.6 | 37.7 | -13.4 | 0 | 0 | 0 | 115.5 | ||||
| 243 | G | 43.7 | Very low | 52.6 | Low | 56 Ų | 56 | 128.4 Ų | 128.4 | 58% | 0.577 | 76% | 0.762 | S | S | * | * | trans | 143.7 | 107.9 | 151.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 244 | S | 53.1 | Low | 52.9 | Low | 101 Ų | 101 | 133.8 Ų | 133.8 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | trans | 53.2 | 148 | 134.4 | 18 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 245 | H | 54.5 | Low | 52.6 | Low | 175 Ų | 175 | 131.2 Ų | 131.2 | 81% | 0.81 | 77% | 0.772 | S | S | * | * | -168.8 | 137.5 | 64.7 | -67.8 | 75.4 | 0 | 0 | 0 | 109.3 | |||||
| 246 | L | 53.3 | Low | 52.2 | Low | 167 Ų | 167 | 127.1 Ų | 127.1 | 87% | 0.874 | 77% | 0.773 | S | S | * | * | trans | -81.1 | -161 | 163.2 | -64 | 154.7 | 0 | 0 | 0 | 109.5 | ||||
| 247 | P | 61.7 | Low | 52.4 | Low | 112 Ų | 112 | 126.2 Ų | 126.2 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | cis | -144.5 | -141.3 | -1.9 | 31.4 | -2.1 | 0 | 0 | 0 | 112.7 | ||||
| 248 | P | 62 | Low | 52.2 | Low | 114 Ų | 114 | 121.7 Ų | 121.7 | 74% | 0.74 | 78% | 0.776 | S | S | * | * | -132.5 | 175.8 | -87.7 | 42.2 | -24.6 | 0 | 0 | 0 | 114.7 | |||||
| 249 | S | 58.7 | Low | 52.7 | Low | 128 Ų | 128 | 122.2 Ų | 122.2 | 90% | 0.895 | 78% | 0.779 | S | S | * | * | trans | 174.5 | 128.8 | 150.7 | -75.3 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 250 | G | 48.9 | Very low | 53.5 | Low | 62 Ų | 62 | 121.9 Ų | 121.9 | 64% | 0.639 | 78% | 0.783 | S | S | * | * | cis | 122.7 | 85.5 | 9.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 251 | F | 57.1 | Low | 53.8 | Low | 215 Ų | 215 | 122.5 Ų | 122.5 | 94% | 0.943 | 79% | 0.785 | S | S | * | * | trans | -154.8 | 133.9 | 156.7 | -84.6 | -70.3 | 0 | 0 | 0 | 112.1 | ||||
| 252 | P | 55.4 | Low | 54 | Low | 106 Ų | 106 | 126 Ų | 126 | 69% | 0.688 | 79% | 0.789 | S | S | * | * | trans | -111.6 | 166.5 | -175.1 | 38 | -26.4 | 0 | 0 | 0 | 114.2 | ||||
| 253 | H | 54.5 | Low | 54.4 | Low | 165 Ų | 165 | 125.1 Ų | 125.1 | 76% | 0.764 | 78% | 0.783 | S | S | * | * | trans | 153.2 | 106.1 | 146.1 | -82.9 | -161.7 | 0 | 0 | 0 | 108.5 | ||||
| 254 | H | 56.2 | Low | 54.7 | Low | 184 Ų | 184 | 129.5 Ų | 129.5 | 85% | 0.852 | 79% | 0.793 | S | S | * | * | 110.4 | 116 | 73.5 | -104.6 | -73.6 | 0 | 0 | 0 | 110.6 | |||||
| 255 | G | 47.5 | Very low | 54.5 | Low | 80 Ų | 80 | 132.2 Ų | 132.2 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | trans | 125.1 | 90.5 | 153.2 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 256 | G | 45.5 | Very low | 54.3 | Low | 75 Ų | 75 | 133.8 Ų | 133.8 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | trans | -88.7 | -154.2 | 153.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 257 | P | 55.3 | Low | 53.8 | Low | 137 Ų | 137 | 129.6 Ų | 129.6 | 89% | 0.89 | 78% | 0.784 | S | S | * | * | cis | -129 | 173.3 | -25.2 | 38.1 | -21.9 | 0 | 0 | 0 | 112.3 | ||||
| 258 | G | 51.2 | Low | 53.1 | Low | 72 Ų | 72 | 129.3 Ų | 129.3 | 74% | 0.742 | 78% | 0.78 | S | S | * | * | trans | 168.3 | 111.9 | 162.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 259 | P | 60.3 | Low | 52.3 | Low | 117 Ų | 117 | 132.3 Ų | 132.3 | 76% | 0.76 | 78% | 0.784 | S | S | * | * | trans | -103.4 | 135 | 161.5 | 34.8 | -24.7 | 0 | 0 | 0 | 110.5 | ||||
| 260 | V | 63.4 | Low | 51.4 | Low | 145 Ų | 145 | 133.2 Ų | 133.2 | 88% | 0.879 | 77% | 0.774 | S | S | * | * | trans | -175.8 | 162.3 | 168 | -90.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 261 | P | 51.8 | Low | 51.6 | Low | 116 Ų | 116 | 136.1 Ų | 136.1 | 75% | 0.753 | 78% | 0.779 | S | S | * | * | -127.8 | -178.8 | -105.4 | 21.6 | 7.3 | 0 | 0 | 0 | 113.4 | |||||
| 262 | H | 49.8 | Very low | 51.1 | Low | 188 Ų | 188 | 130.9 Ų | 130.9 | 87% | 0.87 | 77% | 0.766 | S | S | * | * | trans | -68.1 | 155.4 | 168 | -53.5 | 109.5 | 0 | 0 | 0 | 112.6 | ||||
| 263 | P | 59 | Low | 50.3 | Low | 112 Ų | 112 | 135 Ų | 135 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | trans | -131.4 | 143.6 | 149.7 | 34 | -18.9 | 0 | 0 | 0 | 115.3 | ||||
| 264 | N | 48.9 | Very low | 49.7 | Very low | 149 Ų | 149 | 137.8 Ų | 137.8 | 80% | 0.797 | 78% | 0.78 | S | S | * | * | trans | 83.6 | 81.7 | 145.4 | -69.8 | 7.3 | 0 | 0 | 0 | 121.6 | ||||
| 265 | H | 48.4 | Very low | 49.1 | Very low | 158 Ų | 158 | 132.8 Ų | 132.8 | 73% | 0.731 | 77% | 0.766 | S | S | * | * | -26 | 127.8 | 125.2 | -140.5 | -114.9 | 0 | 0 | 0 | 115 | S267 | H265-S267 PolarHBondContact ND1-OG 3.03Å; H265-S267 VanDerWaalsContact ND1-OG 3.08Å | |||
| 266 | F | 52 | Low | 49.1 | Very low | 207 Ų | 207 | 137.3 Ų | 137.3 | 91% | 0.908 | 77% | 0.766 | S | S | * | * | trans | -117.8 | 116.7 | 149.1 | -117.2 | -87.9 | 0 | 0 | 0 | 107.8 | ||||
| 267 | S | 41.2 | Very low | 48.9 | Very low | 80 Ų | 80 | 138.1 Ų | 138.1 | 56% | 0.559 | 77% | 0.765 | S | S | * | * | trans | -73 | 138.1 | -175 | -62 | 0 | 0 | 0 | 0 | 111.9 | H265 | H265-S267 PolarHBondContact ND1-OG 3.03Å; H265-S267 VanDerWaalsContact ND1-OG 3.08Å | ||
| 268 | V | 48.2 | Very low | 48.7 | Very low | 105 Ų | 105 | 136.7 Ų | 136.7 | 64% | 0.636 | 76% | 0.756 | S | S | * | * | 85.2 | 115.7 | 98.2 | 168.1 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 269 | E | 44 | Very low | 48.3 | Very low | 177 Ų | 177 | 142.6 Ų | 142.6 | 83% | 0.827 | 76% | 0.764 | S | S | * | * | 167.5 | 142.4 | 125.3 | -103.7 | 171.4 | 65.9 | 0 | 0 | 108.4 | |||||
| 270 | Q | 40.1 | Very low | 47.6 | Very low | 148 Ų | 148 | 140.7 Ų | 140.7 | 69% | 0.692 | 77% | 0.765 | S | S | * | * | cis | 176.1 | 134 | -25.6 | -122.1 | -174.9 | 42.4 | 0 | 0 | 106.3 | ||||
| 271 | V | 54.4 | Low | 47 | Very low | 122 Ų | 122 | 142.1 Ų | 142.1 | 74% | 0.739 | 77% | 0.765 | S | S | * | * | trans | 59.6 | 162.5 | 146.5 | -92.1 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 272 | P | 45.7 | Very low | 46.7 | Very low | 105 Ų | 105 | 145.5 Ų | 145.5 | 68% | 0.682 | 77% | 0.771 | S | S | * | * | -145.5 | 159.6 | -57.6 | 36.1 | -15 | 0 | 0 | 0 | 117 | |||||
| 273 | Q | 39.8 | Very low | 46.1 | Very low | 192 Ų | 192 | 145.5 Ų | 145.5 | 90% | 0.897 | 77% | 0.771 | S | S | * | * | 38.4 | 117.9 | 125 | -143.1 | 170.3 | 81.9 | 0 | 0 | 121.9 | |||||
| 274 | R | 41.5 | Very low | 45.3 | Very low | 225 Ų | 225 | 148.9 Ų | 148.9 | 85% | 0.849 | 77% | 0.774 | S | S | * | * | trans | 171.2 | 148.8 | 143.4 | -96.5 | -171.9 | 87.2 | 154.3 | 2.3 | 106.8 | ||||
| 275 | S | 44.2 | Very low | 45 | Very low | 79 Ų | 79 | 150.5 Ų | 150.5 | 55% | 0.552 | 78% | 0.775 | S | S | * | * | cis | 179.6 | 144.4 | -11.1 | -95 | 0 | 0 | 0 | 0 | 106 | ||||
| 276 | Q | 46 | Very low | 45 | Very low | 175 Ų | 175 | 153.8 Ų | 153.8 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | 80.4 | 123 | 147.2 | -66.6 | 168.1 | 36.2 | 0 | 0 | 121.3 | ||||
| 277 | A | 42.1 | Very low | 45 | Very low | 91 Ų | 91 | 148.9 Ų | 148.9 | 75% | 0.752 | 77% | 0.771 | S | S | * | * | trans | -65.9 | -176.3 | 156.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 278 | P | 51.6 | Low | 45 | Very low | 107 Ų | 107 | 152.6 Ų | 152.6 | 70% | 0.695 | 79% | 0.785 | S | S | * | * | cis | -147.7 | 176.1 | 24 | 39.5 | -15.7 | 0 | 0 | 0 | 118.7 | ||||
| 279 | Q | 42.1 | Very low | 45.2 | Very low | 196 Ų | 196 | 155.4 Ų | 155.4 | 92% | 0.916 | 80% | 0.796 | S | S | * | * | trans | 41.4 | 123.2 | 145.1 | -70.2 | 177.6 | -27.7 | 0 | 0 | 121.5 | ||||
| 280 | G | 44.9 | Very low | 46.1 | Very low | 77 Ų | 77 | 155.3 Ų | 155.3 | 79% | 0.794 | 80% | 0.798 | S | S | * | * | trans | -172.8 | 113 | 160.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 281 | M | 51.7 | Low | 47.5 | Very low | 176 Ų | 176 | 153.8 Ų | 153.8 | 87% | 0.867 | 80% | 0.801 | S | S | * | * | trans | -52.4 | 139.9 | 178.2 | -58 | 171.3 | -177 | 0 | 0 | 114.5 | ||||
| 282 | Q | 45.5 | Very low | 47.7 | Very low | 187 Ų | 187 | 154 Ų | 154 | 87% | 0.874 | 80% | 0.804 | S | S | * | * | 174.4 | 129.2 | 109.4 | -99.1 | 153.9 | 93.9 | 0 | 0 | 114 | |||||
| 283 | Q | 36.1 | Very low | 48.2 | Very low | 188 Ų | 188 | 156.7 Ų | 156.7 | 88% | 0.879 | 81% | 0.813 | S | S | * | * | trans | -58 | 134.8 | 162 | -76.9 | 161.6 | -6.6 | 0 | 0 | 111.9 | ||||
| 284 | K | 44.1 | Very low | 48.7 | Very low | 183 Ų | 183 | 150.7 Ų | 150.7 | 80% | 0.796 | 80% | 0.803 | S | S | * | * | trans | -161 | 95.8 | 148.4 | -119.2 | 164 | -178.7 | 173.7 | 0 | 108.2 | ||||
| 285 | F | 42.4 | Very low | 49.7 | Very low | 183 Ų | 183 | 150 Ų | 150 | 80% | 0.803 | 81% | 0.806 | S | S | * | * | 53.4 | 97.2 | 102.4 | -102.4 | -89.2 | 0 | 0 | 0 | 112.9 | |||||
| 286 | Y | 48.2 | Very low | 51 | Low | 226 Ų | 226 | 151.7 Ų | 151.7 | 89% | 0.886 | 82% | 0.816 | S | S | * | * | trans | -124.8 | 115.1 | 151.5 | -80.2 | -82.2 | 0 | 0 | 0 | 108.5 | ||||
| 287 | P | 50.4 | Low | 51.4 | Low | 105 Ų | 105 | 149.2 Ų | 149.2 | 68% | 0.682 | 81% | 0.814 | S | S | * | * | trans | -84.1 | 145.5 | 179.5 | 32.4 | -31 | 0 | 0 | 0 | 111.7 | ||||
| 288 | N | 42.5 | Very low | 51.6 | Low | 157 Ų | 157 | 152 Ų | 152 | 84% | 0.84 | 82% | 0.817 | S | S | * | * | trans | -25 | 126.4 | 151.6 | -126.3 | 32 | 0 | 0 | 0 | 113 | ||||
| 289 | N | 52 | Low | 51.6 | Low | 164 Ų | 164 | 152.9 Ų | 152.9 | 88% | 0.877 | 83% | 0.825 | S | S | * | * | trans | -161.4 | 123.2 | 141.2 | -116.2 | 3.8 | 0 | 0 | 0 | 113.2 | ||||
| 290 | M | 62.2 | Low | 52 | Low | 175 Ų | 175 | 149.7 Ų | 149.7 | 86% | 0.862 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -94.3 | 139.1 | 174.2 | -167 | 173.1 | -136.4 | 0 | 0 | 108 | ||
| 291 | P | 70.9 | Confident | 52.5 | Low | 116 Ų | 116 | 150.7 Ų | 150.7 | 75% | 0.753 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -94.5 | 139.5 | 163.8 | 31.6 | -28.1 | 0 | 0 | 0 | 111.3 | ||
| 292 | P | 57.7 | Low | 52.2 | Low | 126 Ų | 126 | 147.3 Ų | 147.3 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 128.9 | 173.1 | 33.1 | -29.4 | 0 | 0 | 0 | 110 | G294 | P292-G294 PolarHBondContact O-N 3.21Š|
| 293 | N | 56.1 | Low | 52.2 | Low | 163 Ų | 163 | 147.1 Ų | 147.1 | 87% | 0.872 | 81% | 0.81 | S | S | * | * | trans | -88.1 | 111.2 | 174.7 | -144.7 | 47.2 | 0 | 0 | 0 | 109.7 | ||||
| 294 | G | 51.2 | Low | 52.7 | Low | 66 Ų | 66 | 144 Ų | 144 | 68% | 0.68 | 81% | 0.809 | S | S | * | * | trans | -78.1 | 135.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | P292 | P292-G294 PolarHBondContact O-N 3.21Š| ||
| 295 | F | 61.9 | Low | 52.9 | Low | 210 Ų | 210 | 144.5 Ų | 144.5 | 92% | 0.921 | 81% | 0.814 | S | S | * | * | trans | -74.5 | 145 | 166.4 | -71.4 | -95.9 | 0 | 0 | 0 | 111.1 | ||||
| 296 | P | 72.2 | Confident | 53.6 | Low | 115 Ų | 115 | 141.5 Ų | 141.5 | 75% | 0.747 | 81% | 0.813 | S | S | * | * | trans | -104.4 | 143.2 | 146.3 | 33.1 | -28.1 | 0 | 0 | 0 | 111.1 | ||||
| 297 | P | 53.8 | Low | 53.7 | Low | 122 Ų | 122 | 136.6 Ų | 136.6 | 79% | 0.792 | 81% | 0.809 | S | S | * | * | trans | -89 | 141.3 | 178.3 | 34.1 | -31 | 0 | 0 | 0 | 112.9 | ||||
| 298 | N | 45.7 | Very low | 53.4 | Low | 150 Ų | 150 | 141.9 Ų | 141.9 | 80% | 0.802 | 82% | 0.817 | S | S | * | * | trans | 30.5 | 118.4 | 142 | -126.2 | 26.5 | 0 | 0 | 0 | 119.3 | ||||
| 299 | S | 51.6 | Low | 53.6 | Low | 125 Ų | 125 | 141.6 Ų | 141.6 | 87% | 0.874 | 82% | 0.815 | S | S | * | * | trans | -143.1 | 120.3 | 148.8 | -75.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 300 | V | 51.3 | Low | 53.4 | Low | 129 Ų | 129 | 143.6 Ų | 143.6 | 78% | 0.782 | 81% | 0.812 | S | S | * | * | trans | -58.4 | 134.8 | -178.3 | 166.3 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 301 | A | 54.1 | Low | 53.4 | Low | 98 Ų | 98 | 140.8 Ų | 140.8 | 81% | 0.81 | 81% | 0.807 | S | S | * | * | trans | -148.5 | 135.1 | 149.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 302 | P | 46.9 | Very low | 52.1 | Low | 105 Ų | 105 | 141.1 Ų | 141.1 | 68% | 0.682 | 81% | 0.812 | S | S | * | * | trans | -100.3 | 157.6 | -165.5 | 37.8 | -32.5 | 0 | 0 | 0 | 114.4 | ||||
| 303 | Q | 44.6 | Very low | 51.5 | Low | 183 Ų | 183 | 138.8 Ų | 138.8 | 86% | 0.855 | 81% | 0.811 | S | S | * | * | trans | 51.6 | 122.6 | 144.8 | -69.1 | 176.1 | 14.7 | 0 | 0 | 119.4 | ||||
| 304 | S | 47.8 | Very low | 50.9 | Low | 122 Ų | 122 | 139.8 Ų | 139.8 | 85% | 0.853 | 81% | 0.81 | S | S | * | * | 178.5 | 105.9 | 120 | -74.3 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 305 | Q | 46.8 | Very low | 50.7 | Low | 194 Ų | 194 | 143.6 Ų | 143.6 | 91% | 0.907 | 82% | 0.82 | S | S | * | * | trans | -87 | 153.2 | 151.7 | -75.9 | -176 | -42.7 | 0 | 0 | 108.1 | ||||
| 306 | P | 58.6 | Low | 50.1 | Low | 121 Ų | 121 | 142.2 Ų | 142.2 | 79% | 0.786 | 82% | 0.817 | S | S | * | * | -146.3 | -168.9 | 118 | 44.4 | -28.5 | 0 | 0 | 0 | 111.5 | |||||
| 307 | P | 49.7 | Very low | 49.6 | Very low | 122 Ų | 122 | 142.1 Ų | 142.1 | 79% | 0.792 | 82% | 0.816 | S | S | * | * | -120.2 | -177.3 | -103.3 | 26 | -1.3 | 0 | 0 | 0 | 113.5 | |||||
| 308 | Y | 43.5 | Very low | 49.8 | Very low | 217 Ų | 217 | 142 Ų | 142 | 85% | 0.851 | 82% | 0.815 | S | S | * | * | trans | -45.7 | 144.4 | 174.3 | -77.6 | -34.9 | 0 | 0 | 0 | 116 | ||||
| 309 | D | 47.3 | Very low | 49.9 | Very low | 151 Ų | 151 | 140.9 Ų | 140.9 | 81% | 0.807 | 81% | 0.814 | S | S | * | * | trans | -146.7 | 119.6 | 149.4 | -157.6 | -104.4 | 0 | 0 | 0 | 110.9 | ||||
| 310 | Y | 46.6 | Very low | 49.9 | Very low | 206 Ų | 206 | 143.3 Ų | 143.3 | 81% | 0.808 | 81% | 0.814 | S | S | * | * | trans | -100.3 | 136.3 | 166.8 | -96.8 | -90.3 | 0 | 0 | 0 | 107.7 | ||||
| 311 | P | 62.2 | Low | 49.8 | Very low | 115 Ų | 115 | 142.7 Ų | 142.7 | 75% | 0.747 | 82% | 0.815 | S | S | * | * | trans | -113.8 | 116.6 | 156.5 | 25.2 | -10.8 | 0 | 0 | 0 | 111.7 | ||||
| 312 | S | 43.8 | Very low | 49.4 | Very low | 124 Ų | 124 | 141.3 Ų | 141.3 | 87% | 0.867 | 81% | 0.81 | S | S | * | * | trans | -81.9 | 134.4 | 156.5 | -59.9 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 313 | G | 45 | Very low | 49.2 | Very low | 77 Ų | 77 | 145.5 Ų | 145.5 | 79% | 0.794 | 82% | 0.821 | S | S | * | * | trans | 177.5 | 99.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 314 | Q | 44.1 | Very low | 49.2 | Very low | 184 Ų | 184 | 145.4 Ų | 145.4 | 86% | 0.86 | 82% | 0.821 | S | S | * | * | trans | -44.5 | 143.3 | 171.2 | -61.7 | 168.7 | 20 | 0 | 0 | 114.1 | ||||
| 315 | T | 47 | Very low | 49.2 | Very low | 145 Ų | 145 | 144.4 Ų | 144.4 | 89% | 0.89 | 81% | 0.811 | S | S | * | * | trans | -168.6 | 145.3 | 133.5 | 10.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 316 | Q | 49.8 | Very low | 49.3 | Very low | 181 Ų | 181 | 144.1 Ų | 144.1 | 85% | 0.846 | 81% | 0.81 | S | S | * | * | trans | -82.7 | 171.5 | -157.7 | -74.3 | 172.5 | 59.3 | 0 | 0 | 115.8 | ||||
| 317 | P | 60.6 | Low | 49.1 | Very low | 114 Ų | 114 | 146.7 Ų | 146.7 | 74% | 0.74 | 81% | 0.809 | S | S | * | * | trans | -100.5 | -177.7 | -169.7 | 40.2 | -32.4 | 0 | 0 | 0 | 113.6 | ||||
| 318 | P | 58 | Low | 49.3 | Very low | 118 Ų | 118 | 148.1 Ų | 148.1 | 77% | 0.766 | 81% | 0.809 | S | S | * | * | trans | -132.4 | 130.4 | 145.4 | 30.5 | -13.6 | 0 | 0 | 0 | 115 | ||||
| 319 | T | 48.2 | Very low | 49.7 | Very low | 127 Ų | 127 | 142.3 Ų | 142.3 | 78% | 0.779 | 80% | 0.798 | S | S | * | * | trans | 6 | 132.2 | 138.6 | 57.8 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 320 | M | 52.8 | Low | 49.8 | Very low | 176 Ų | 176 | 142.4 Ų | 142.4 | 87% | 0.867 | 80% | 0.799 | S | S | * | * | -167.5 | 106.4 | 130 | -83.1 | -123 | 176.4 | 0 | 0 | 108.5 | |||||
| 321 | S | 47.6 | Very low | 49.9 | Very low | 116 Ų | 116 | 135.5 Ų | 135.5 | 81% | 0.811 | 79% | 0.79 | S | S | * | * | 84.5 | 113.5 | 89.2 | -60.9 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 322 | G | 45.8 | Very low | 50 | Low | 69 Ų | 69 | 136 Ų | 136 | 71% | 0.711 | 79% | 0.794 | S | S | * | * | trans | 151 | 96.9 | 156.8 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 323 | Q | 44.2 | Very low | 50.5 | Low | 193 Ų | 193 | 136 Ų | 136 | 90% | 0.902 | 79% | 0.79 | S | S | * | * | trans | 73.7 | 97.1 | 149.9 | -111.6 | 78.7 | 25.6 | 0 | 0 | 121.5 | ||||
| 324 | Q | 44.6 | Very low | 50.8 | Low | 182 Ų | 182 | 139.7 Ų | 139.7 | 85% | 0.85 | 79% | 0.792 | S | S | * | * | trans | -116.2 | 164.2 | 136.9 | -114.5 | 178.3 | 40.1 | 0 | 0 | 106.3 | ||||
| 325 | P | 47.3 | Very low | 51.2 | Low | 101 Ų | 101 | 139.5 Ų | 139.5 | 66% | 0.656 | 79% | 0.793 | S | S | * | * | cis | -150.6 | 168.7 | 46.7 | 37.8 | -15.7 | 0 | 0 | 0 | 116.3 | ||||
| 326 | H | 49.1 | Very low | 51 | Low | 188 Ų | 188 | 137.1 Ų | 137.1 | 87% | 0.87 | 79% | 0.788 | S | S | * | * | trans | -164.6 | 126.5 | 131.8 | -109.3 | 107 | 0 | 0 | 0 | 113 | ||||
| 327 | F | 53.8 | Low | 51 | Low | 175 Ų | 175 | 134.8 Ų | 134.8 | 77% | 0.768 | 79% | 0.786 | S | S | * | * | trans | -47 | 142.2 | 166.9 | -99.4 | -120.1 | 0 | 0 | 0 | 114.4 | P329 | F327-P329 HydrophobicContact CD1-CG 4.09Å; F327-P329 HydrophobicContact CE1-CG 4.3Å | ||
| 328 | N | 55 | Low | 50.4 | Low | 151 Ų | 151 | 139 Ų | 139 | 81% | 0.807 | 79% | 0.787 | S | S | * | * | -158.6 | 107 | 123.5 | -147 | 46.8 | 0 | 0 | 0 | 112.1 | |||||
| 329 | P | 50.9 | Low | 50 | Low | 95 Ų | 95 | 139.8 Ų | 139.8 | 62% | 0.617 | 79% | 0.792 | S | S | * | * | trans | -103.5 | 111.1 | 165.2 | 32.9 | -20.9 | 0 | 0 | 0 | 109.1 | F327 | F327-P329 HydrophobicContact CD1-CG 4.09Å; F327-P329 HydrophobicContact CE1-CG 4.3Å | ||
| 330 | N | 50.4 | Low | 49.6 | Very low | 154 Ų | 154 | 142.7 Ų | 142.7 | 82% | 0.824 | 80% | 0.797 | S | S | * | * | trans | -149.3 | 120.5 | 164.4 | -137 | -30.9 | 0 | 0 | 0 | 110.4 | ||||
| 331 | G | 47 | Very low | 49.3 | Very low | 60 Ų | 60 | 145.2 Ų | 145.2 | 62% | 0.619 | 80% | 0.797 | S | S | * | * | trans | -70.2 | 176.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 332 | P | 65.7 | Low | 49.8 | Very low | 127 Ų | 127 | 145 Ų | 145 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | -133.7 | 150.9 | 89.4 | 35.4 | -25.5 | 0 | 0 | 0 | 113.5 | |||||
| 333 | P | 53.4 | Low | 50.4 | Low | 123 Ų | 123 | 147.8 Ų | 147.8 | 80% | 0.799 | 80% | 0.798 | S | S | * | * | trans | -99.8 | 110.8 | 166.7 | 33.9 | -21.9 | 0 | 0 | 0 | 109.3 | ||||
| 334 | N | 52.3 | Low | 50.4 | Low | 155 Ų | 155 | 143.1 Ų | 143.1 | 83% | 0.829 | 79% | 0.793 | S | S | * | * | trans | -176.5 | 112.5 | 152.6 | -128.6 | 1.1 | 0 | 0 | 0 | 110.4 | ||||
| 335 | M | 51.2 | Low | 50.3 | Low | 180 Ų | 180 | 138.7 Ų | 138.7 | 89% | 0.887 | 79% | 0.787 | S | S | * | * | -172.9 | 95.1 | 130 | -102.1 | 178.7 | -168.9 | 0 | 0 | 107.8 | V337 | M335-V337 PolarHBondContact O-N 2.91Š| |||
| 336 | A | 43 | Very low | 50.1 | Low | 95 Ų | 95 | 142.7 Ų | 142.7 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | trans | -62 | 97.6 | 165 | 0 | 0 | 0 | 0 | 0 | 109.4 | R338 | A336-R338 PolarHBondContact O-N 3.47Š| ||
| 337 | V | 49.6 | Very low | 49.9 | Very low | 131 Ų | 131 | 141.5 Ų | 141.5 | 79% | 0.794 | 80% | 0.795 | S | S | * | * | trans | -97.7 | 85 | 164 | 179.9 | 0 | 0 | 0 | 0 | 108.2 | M335 | M335-V337 PolarHBondContact O-N 2.91Š| ||
| 338 | R | 47.7 | Very low | 49.7 | Very low | 203 Ų | 203 | 137.4 Ų | 137.4 | 77% | 0.766 | 79% | 0.785 | S | S | * | * | trans | 22.4 | 120.7 | 141.4 | -55.6 | 173.9 | 108.8 | -173.5 | 4.2 | 116.7 | A336 Q340 | A336-R338 PolarHBondContact O-N 3.47Å; R338-Q340 PolarHBondContact O-N 3.01Å; R338-Q340 VanDerWaalsContact O-N 3.14Å | ||
| 339 | P | 49.7 | Very low | 49.3 | Very low | 134 Ų | 134 | 135.9 Ų | 135.9 | 87% | 0.87 | 78% | 0.783 | S | S | * | * | trans | -70.4 | 107.7 | 159.6 | 27.8 | -27.2 | 0 | 0 | 0 | 108.5 | R341 | P339-R341 PolarHBondContact O-N 3.48Š| ||
| 340 | Q | 41 | Very low | 49.2 | Very low | 188 Ų | 188 | 135.2 Ų | 135.2 | 88% | 0.879 | 79% | 0.786 | S | S | * | * | trans | -71.9 | 114.1 | 169.2 | -82.5 | -163 | 17 | 0 | 0 | 109.4 | R338 | R338-Q340 PolarHBondContact O-N 3.01Å; R338-Q340 VanDerWaalsContact O-N 3.14Å | ||
| 341 | R | 46.1 | Very low | 49.2 | Very low | 229 Ų | 229 | 135.1 Ų | 135.1 | 86% | 0.864 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 143.7 | 169.1 | -164.7 | 176.3 | -162.9 | -176.9 | 3.8 | 109.8 | P339 | P339-R341 PolarHBondContact O-N 3.48Š|
| 342 | P | 56.9 | Low | 49 | Very low | 112 Ų | 112 | 136 Ų | 136 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -66 | 140.6 | -178 | 26.8 | -34.6 | 0 | 0 | 0 | 111.3 | A344 | P342-A344 PolarHBondContact O-N 2.84Š|
| 343 | P | 58.4 | Low | 48 | Very low | 128 Ų | 128 | 133.9 Ų | 133.9 | 83% | 0.831 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 120.2 | 164.5 | 29.1 | -29.9 | 0 | 0 | 0 | 109.3 | ||
| 344 | A | 46.1 | Very low | 47.7 | Very low | 94 Ų | 94 | 132 Ų | 132 | 78% | 0.777 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 145 | 164.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | P342 | P342-A344 PolarHBondContact O-N 2.84Š|
| 345 | A | 42.5 | Very low | 47.3 | Very low | 89 Ų | 89 | 128.9 Ų | 128.9 | 74% | 0.736 | 77% | 0.769 | S | S | * | * | trans | 58.9 | 94.5 | 150.5 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 346 | Q | 41.8 | Very low | 47.2 | Very low | 185 Ų | 185 | 124.6 Ų | 124.6 | 86% | 0.864 | 76% | 0.762 | S | S | * | * | trans | -134.2 | 98.2 | 136.4 | -72.8 | -163.6 | 56.5 | 0 | 0 | 109 | T348 | Q346-T348 PolarHBondContact O-N 3.46Š| ||
| 347 | I | 45.7 | Very low | 47.5 | Very low | 163 Ų | 163 | 124.6 Ų | 124.6 | 84% | 0.836 | 76% | 0.762 | S | S | * | * | trans | -74.5 | 107.1 | 166.7 | -62.8 | 168.5 | 0 | 0 | 0 | 105.6 | ||||
| 348 | T | 49.2 | Very low | 47.4 | Very low | 89 Ų | 89 | 123.5 Ų | 123.5 | 55% | 0.546 | 76% | 0.76 | S | S | . | * | trans | -92.3 | 132.1 | 174.2 | 44 | 0 | 0 | 0 | 0 | 110.1 | Q346 A350 | Q346-T348 PolarHBondContact O-N 3.46Å; T348-A350 PolarHBondContact O-N 3.24Å | ||
| 349 | P | 47.3 | Very low | 47.4 | Very low | 119 Ų | 119 | 123.1 Ų | 123.1 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.3 | 38.5 | -174.6 | 34.8 | -36 | 0 | 0 | 0 | 112.9 | ||
| 350 | A | 48.1 | Very low | 47.1 | Very low | 81 Ų | 81 | 120 Ų | 120 | 67% | 0.669 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.9 | -16.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | T348 | T348-A350 PolarHBondContact O-N 3.24Š|
| 351 | I | 49.8 | Very low | 47.2 | Very low | 152 Ų | 152 | 116.9 Ų | 116.9 | 78% | 0.779 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -83.1 | -11.2 | 178.8 | 21 | 166.8 | 0 | 0 | 0 | 113.6 | ||
| 352 | A | 44.3 | Very low | 46.9 | Very low | 79 Ų | 79 | 113.2 Ų | 113.2 | 65% | 0.653 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -84.9 | -15.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 353 | A | 45.1 | Very low | 46.3 | Very low | 83 Ų | 83 | 112.2 Ų | 112.2 | 69% | 0.686 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -87.1 | -21.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | A355 | A353-A355 VanDerWaalsContact C-N 3.33Å; A353-A355 PolarHBondContact O-N 2.89Å |
| 354 | A | 46 | Very low | 45.3 | Very low | 84 Ų | 84 | 113.8 Ų | 113.8 | 69% | 0.694 | 75% | 0.751 | S | S | * | * | G | 310 helix | trans | -79.1 | -13.5 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | A356 | A354-A356 PolarHBondContact O-N 3.47Š|
| 355 | A | 44.4 | Very low | 45 | Very low | 88 Ų | 88 | 115.4 Ų | 115.4 | 73% | 0.727 | 75% | 0.746 | S | S | * | * | G | 310 helix | trans | -84 | -6 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115 | A353 | A353-A355 VanDerWaalsContact C-N 3.33Å; A353-A355 PolarHBondContact O-N 2.89Å |
| 356 | A | 49.4 | Very low | 45 | Very low | 90 Ų | 90 | 115.7 Ų | 115.7 | 74% | 0.744 | 75% | 0.749 | S | S | * | * | G | 310 helix | trans | -105.2 | -1.5 | -171.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | A354 | A354-A356 PolarHBondContact O-N 3.47Š|
| 357 | A | 49.4 | Very low | 45.2 | Very low | 95 Ų | 95 | 109.6 Ų | 109.6 | 79% | 0.785 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -102.8 | 4.5 | -168.1 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 358 | S | 47 | Very low | 45.5 | Very low | 108 Ų | 108 | 108.1 Ų | 108.1 | 76% | 0.755 | 73% | 0.725 | S | S | * | * | trans | -116.7 | 57.4 | -172.9 | 40.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 359 | M | 46.8 | Very low | 45.5 | Very low | 196 Ų | 196 | 105.1 Ų | 105.1 | 97% | 0.966 | 71% | 0.712 | S | S | * | * | trans | -110.3 | 92.7 | 161 | -68.3 | -170 | 95.3 | 0 | 0 | 109.1 | ||||
| 360 | G | 43.1 | Very low | 46.1 | Very low | 68 Ų | 68 | 106.1 Ų | 106.1 | 70% | 0.701 | 71% | 0.706 | S | S | * | * | trans | -161.8 | 108.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 361 | P | 44.9 | Very low | 46.6 | Very low | 123 Ų | 123 | 109.7 Ų | 109.7 | 80% | 0.799 | 71% | 0.709 | S | S | * | * | trans | -92.1 | 106.6 | -171.4 | 33.1 | -28.3 | 0 | 0 | 0 | 110.5 | ||||
| 362 | N | 39.8 | Very low | 47.3 | Very low | 151 Ų | 151 | 108.3 Ų | 108.3 | 81% | 0.807 | 70% | 0.699 | S | S | * | * | trans | -177.1 | 122.4 | 136.6 | -112.7 | -64.8 | 0 | 0 | 0 | 114.3 | ||||
| 363 | S | 43.2 | Very low | 48 | Very low | 91 Ų | 91 | 111 Ų | 111 | 64% | 0.636 | 70% | 0.696 | S | S | * | * | trans | 69.4 | 113.8 | 136.3 | -74.5 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 364 | L | 36.9 | Very low | 49.2 | Very low | 161 Ų | 161 | 111.1 Ų | 111.1 | 84% | 0.843 | 69% | 0.688 | S | S | * | * | trans | 74.9 | 80.6 | 137.6 | -84.5 | 88.5 | 0 | 0 | 0 | 119 | ||||
| 365 | L | 41.1 | Very low | 50.4 | Low | 128 Ų | 128 | 110.8 Ų | 110.8 | 67% | 0.67 | 68% | 0.678 | S | S | * | * | trans | -116.9 | 90.5 | 148.1 | -176.2 | 64.7 | 0 | 0 | 0 | 108.1 | ||||
| 366 | A | 41.9 | Very low | 51.6 | Low | 95 Ų | 95 | 111.7 Ų | 111.7 | 79% | 0.785 | 67% | 0.67 | S | S | * | * | trans | -87.2 | 123.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 367 | G | 46.9 | Very low | 52.5 | Low | 57 Ų | 57 | 109.4 Ų | 109.4 | 59% | 0.588 | 65% | 0.645 | S | S | * | * | S | Bend | trans | 131.1 | -48.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 368 | Q | 50.2 | Low | 53.5 | Low | 132 Ų | 132 | 110.5 Ų | 110.5 | 62% | 0.617 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -91.7 | -27.2 | -179.6 | -74.3 | 178.9 | -42.8 | 0 | 0 | 113.1 | E370 Q371 E372 | Q368-E370 PolarHBondContact O-N 3.09Å; Q368-Q371 PolarHBondContact O-N 3.45Å; Q368-E372 PolarHBondContact O-N 2.9Å |
| 369 | G | 50.5 | Low | 54.5 | Low | 26 Ų | 26 | 111.7 Ų | 111.7 | 27% | 0.268 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -65.5 | -23 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | K373 | G369-K373 WeakPolarHBondContact O-CA 3.44Å; G369-K373 WeakPolarHBondContact O-CB 3.47Å; G369-K373 WeakPolarHBondContact O-CD 3.36Å; G369-K373 WeakPolarHBondContact O-CG 3.4Å; G369-K373 PolarHBondContact O-N 3.38Å |
| 370 | E | 58.5 | Low | 55.5 | Low | 140 Ų | 140 | 103.8 Ų | 103.8 | 65% | 0.654 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -77.6 | -39.7 | 179.5 | -102.6 | 147.6 | 83.4 | 0 | 0 | 112.8 | Q368 K373 V374 | Q368-E370 PolarHBondContact O-N 3.09Å; E370-K373 PolarHBondContact O-N 3.25Å; E370-V374 WeakPolarHBondContact O-CB 3.43Å; E370-V374 WeakPolarHBondContact O-CG2 3.31Å; E370-V374 PolarHBondContact O-N 3.42Å |
| 371 | Q | 59.9 | Low | 56.7 | Low | 157 Ų | 157 | 104.8 Ų | 104.8 | 73% | 0.734 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -71.1 | -39.8 | 176.1 | -119.7 | -176.8 | 2 | 0 | 0 | 111.6 | Q368 V374 T375 | Q368-Q371 PolarHBondContact O-N 3.45Å; Q371-V374 PolarHBondContact O-N 3.5Å; Q371-T375 WeakPolarHBondContact O-CB 3.48Å; Q371-T375 PolarHBondContact O-N 3.24Å; Q371-T375 PolarHBondContact O-OG1 3.36Å |
| 372 | E | 64.2 | Low | 57.9 | Low | 122 Ų | 122 | 106.1 Ų | 106.1 | 57% | 0.57 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -64.4 | -42.9 | 171.1 | -80.6 | -179.8 | 80.5 | 0 | 0 | 111.2 | Q368 V374 T375 L376 | Q368-E372 PolarHBondContact O-N 2.9Å; E372-V374 PolarHBondContact O-N 3.01Å; E372-T375 PolarHBondContact O-N 3.29Å; E372-L376 WeakPolarHBondContact O-CB 3.49Å; E372-L376 WeakPolarHBondContact O-CD1 3.4Å; E372-L376 PolarHBondContact O-N 2.97Å |
| 373 | K | 59.8 | Low | 59.2 | Low | 136 Ų | 136 | 101.2 Ų | 101.2 | 59% | 0.591 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -59.4 | -45.5 | 172.3 | -84.6 | 172.8 | 174 | -176.8 | 0 | 111.6 | G369 E370 T375 L376 I377 | G369-K373 WeakPolarHBondContact O-CA 3.44Å; G369-K373 WeakPolarHBondContact O-CB 3.47Å; G369-K373 WeakPolarHBondContact O-CD 3.36Å; G369-K373 WeakPolarHBondContact O-CG 3.4Å; G369-K373 PolarHBondContact O-N 3.38Å; E370-K373 PolarHBondContact O-N 3.25Å; K373-T375 VanDerWaalsContact C-N 3.31Å; K373-T375 PolarHBondContact O-N 2.95Å; K373-L376 PolarHBondContact O-N 3.39Å; K373-I377 HydrophobicContact CB-CD1 4.36Å; K373-I377 WeakPolarHBondContact O-CB 3.32Å; K373-I377 VanDerWaalsContact O-CD1 3.27Å; K373-I377 WeakPolarHBondContact O-CD1 3.31Å; K373-I377 WeakPolarHBondContact O-CG1 3.39Å; K373-I377 PolarHBondContact O-N 3.12Å |
| 374 | V | 68.3 | Low | 60.6 | Low | 85 Ų | 85 | 100.3 Ų | 100.3 | 52% | 0.515 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64 | -39.1 | 178.6 | 171.3 | 0 | 0 | 0 | 0 | 110.4 | E370 Q371 E372 I377 M378 | E370-V374 WeakPolarHBondContact O-CB 3.43Å; E370-V374 WeakPolarHBondContact O-CG2 3.31Å; E370-V374 PolarHBondContact O-N 3.42Å; Q371-V374 PolarHBondContact O-N 3.5Å; E372-V374 PolarHBondContact O-N 3.01Å; V374-I377 PolarHBondContact O-N 3.04Å; V374-M378 VanDerWaalsContact O-CB 3.29Å; V374-M378 WeakPolarHBondContact O-CB 3.48Å; V374-M378 PolarHBondContact O-N 3.47Å |
| 375 | T | 71.8 | Confident | 62.2 | Low | 77 Ų | 77 | 97.9 Ų | 97.9 | 47% | 0.472 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.9 | -45.1 | 176.3 | -53.3 | 0 | 0 | 0 | 0 | 111.2 | Q371 E372 K373 M378 Q379 | Q371-T375 WeakPolarHBondContact O-CB 3.48Å; Q371-T375 PolarHBondContact O-N 3.24Å; Q371-T375 PolarHBondContact O-OG1 3.36Å; E372-T375 PolarHBondContact O-N 3.29Å; K373-T375 VanDerWaalsContact C-N 3.31Å; K373-T375 PolarHBondContact O-N 2.95Å; T375-M378 PolarHBondContact O-N 2.88Å; T375-Q379 WeakPolarHBondContact O-CB 3.44Å; T375-Q379 PolarHBondContact O-N 3.43Å |
| 376 | L | 69.5 | Low | 63.8 | Low | 107 Ų | 107 | 99.7 Ų | 99.7 | 56% | 0.56 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -62.2 | -42.4 | 173.6 | -95.6 | 133.5 | 0 | 0 | 0 | 111.7 | E372 K373 Q379 V380 | E372-L376 WeakPolarHBondContact O-CB 3.49Å; E372-L376 WeakPolarHBondContact O-CD1 3.4Å; E372-L376 PolarHBondContact O-N 2.97Å; K373-L376 PolarHBondContact O-N 3.39Å; L376-Q379 PolarHBondContact O-N 2.92Å; L376-V380 WeakPolarHBondContact O-CB 3.5Å; L376-V380 VanDerWaalsContact O-CG2 3.3Å; L376-V380 WeakPolarHBondContact O-CG2 3.36Å; L376-V380 PolarHBondContact O-N 3.43Å |
| 377 | I | 69.3 | Low | 65.1 | Low | 43 Ų | 43 | 99.9 Ų | 99.9 | 22% | 0.221 | 52% | 0.52 | C | S | . | . | H | α-helix | trans | -61.6 | -44.2 | 175.6 | -75.6 | 161.9 | 0 | 0 | 0 | 110.4 | K373 V374 Q379 V380 L381 L402 L406 | K373-I377 HydrophobicContact CB-CD1 4.36Å; K373-I377 WeakPolarHBondContact O-CB 3.32Å; K373-I377 VanDerWaalsContact O-CD1 3.27Å; K373-I377 WeakPolarHBondContact O-CD1 3.31Å; K373-I377 WeakPolarHBondContact O-CG1 3.39Å; K373-I377 PolarHBondContact O-N 3.12Å; V374-I377 PolarHBondContact O-N 3.04Å; I377-Q379 VanDerWaalsContact C-N 3.34Å; I377-V380 PolarHBondContact O-N 3.31Å; I377-L381 HydrophobicContact CG2-CD1 4.02Å; I377-L381 PolarHBondContact O-N 2.91Å; I377-L402 HydrophobicContact CG1-CD2 3.92Å; I377-L406 HydrophobicContact CG2-CD1 3.3Å; I377-L406 HydrophobicContact CG2-CD2 4.38Å; I377-L406 HydrophobicContact CG2-CG 4.48Å |
| 378 | M | 69.4 | Low | 66.2 | Low | 118 Ų | 118 | 97.7 Ų | 97.7 | 58% | 0.581 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -69 | -34.4 | 179.5 | -162 | 154.8 | 71.9 | 0 | 0 | 111.7 | V374 T375 L381 Q382 | V374-M378 VanDerWaalsContact O-CB 3.29Å; V374-M378 WeakPolarHBondContact O-CB 3.48Å; V374-M378 PolarHBondContact O-N 3.47Å; T375-M378 PolarHBondContact O-N 2.88Å; M378-L381 PolarHBondContact O-N 3.49Å; M378-Q382 PolarHBondContact O-N 3.41Å |
| 379 | Q | 69.2 | Low | 67.5 | Low | 133 Ų | 133 | 94.6 Ų | 94.6 | 62% | 0.621 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -70.1 | -36.8 | 173.7 | -143.3 | 170.5 | 94.4 | 0 | 0 | 111.8 | T375 L376 I377 Q382 | T375-Q379 WeakPolarHBondContact O-CB 3.44Å; T375-Q379 PolarHBondContact O-N 3.43Å; L376-Q379 PolarHBondContact O-N 2.92Å; I377-Q379 VanDerWaalsContact C-N 3.34Å; Q379-Q382 PolarHBondContact O-N 2.84Å |
| 380 | V | 67.7 | Low | 68.8 | Low | 29 Ų | 29 | 100.6 Ų | 100.6 | 18% | 0.176 | 52% | 0.517 | C | S | . | . | H | α-helix | trans | -66.2 | -37.7 | 174.3 | 154.5 | 0 | 0 | 0 | 0 | 112.3 | L376 I377 Q382 L383 I399 | L376-V380 WeakPolarHBondContact O-CB 3.5Å; L376-V380 VanDerWaalsContact O-CG2 3.3Å; L376-V380 WeakPolarHBondContact O-CG2 3.36Å; L376-V380 PolarHBondContact O-N 3.43Å; I377-V380 PolarHBondContact O-N 3.31Å; V380-Q382 PolarHBondContact O-N 2.91Å; V380-L383 HydrophobicContact CG2-CD1 4.38Å; V380-L383 WeakPolarHBondContact O-CB 3.15Å; V380-L383 PolarHBondContact O-N 3.41Å; V380-I399 HydrophobicContact CB-CD1 3.92Å; V380-I399 HydrophobicContact CG1-CB 4.37Å; V380-I399 HydrophobicContact CG1-CD1 3.34Å; V380-I399 HydrophobicContact CG1-CG1 4.38Å; V380-I399 HydrophobicContact CG1-CG2 3.46Å; V380-I399 VanDerWaalsContact CG1-CG2 3.46Å; V380-I399 HydrophobicContact CG2-CD1 3.3Å |
| 381 | L | 68.5 | Low | 69.4 | Low | 90 Ų | 90 | 96.4 Ų | 96.4 | 47% | 0.471 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.4 | -22.9 | 176.3 | -86.9 | 156.5 | 0 | 0 | 0 | 113.2 | I377 M378 K403 L406 | I377-L381 HydrophobicContact CG2-CD1 4.02Å; I377-L381 PolarHBondContact O-N 2.91Å; M378-L381 PolarHBondContact O-N 3.49Å; L381-K403 HydrophobicContact CD2-CG 4.41Å; L381-L406 HydrophobicContact CD1-CD1 4.17Å |
| 382 | Q | 68.8 | Low | 70.3 | Confident | 150 Ų | 150 | 93.1 Ų | 93.1 | 70% | 0.701 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | -8.3 | 175.9 | -71.8 | -176 | -10.7 | 0 | 0 | 113.8 | M378 Q379 V380 S384 | M378-Q382 PolarHBondContact O-N 3.41Å; Q379-Q382 PolarHBondContact O-N 2.84Å; V380-Q382 PolarHBondContact O-N 2.91Å; Q382-S384 PolarHBondContact O-N 3.03Å |
| 383 | L | 67.4 | Low | 70.9 | Confident | 48 Ų | 48 | 94.4 Ų | 94.4 | 25% | 0.251 | 50% | 0.497 | S | S | . | . | trans | -68.7 | 118.5 | 176.7 | -69.6 | 165.4 | 0 | 0 | 0 | 109.9 | V380 Q387 L388 L391 | V380-L383 HydrophobicContact CG2-CD1 4.38Å; V380-L383 WeakPolarHBondContact O-CB 3.15Å; V380-L383 PolarHBondContact O-N 3.41Å; L383-Q387 HydrophobicContact CB-CB 4.39Å; L383-Q387 HydrophobicContact CD2-CB 3.91Å; L383-Q387 HydrophobicContact CD2-CG 4.47Å; L383-L388 HydrophobicContact CB-CD1 4.36Å; L383-L391 HydrophobicContact CD1-CD1 4.27Å | ||
| 384 | S | 73.4 | Confident | 71.6 | Confident | 73 Ų | 73 | 94.2 Ų | 94.2 | 51% | 0.51 | 50% | 0.503 | S | S | . | . | trans | -59.9 | 151.4 | 171.4 | -62.3 | 0 | 0 | 0 | 0 | 110.6 | Q382 E386 Q387 L388 | Q382-S384 PolarHBondContact O-N 3.03Å; S384-E386 PolarHBondContact O-N 2.95Å; S384-Q387 WeakPolarHBondContact O-CA 3.35Å; S384-Q387 WeakPolarHBondContact O-CB 3.49Å; S384-Q387 PolarHBondContact O-N 3.44Å; S384-L388 PolarHBondContact O-N 3.4Å | ||
| 385 | D | 70.1 | Confident | 72 | Confident | 109 Ų | 109 | 95.3 Ų | 95.3 | 58% | 0.583 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -54.4 | -31.2 | 178.7 | -119.4 | -99.1 | 0 | 0 | 0 | 112.5 | L388 A389 K403 | D385-L388 VanDerWaalsContact O-CB 3.31Å; D385-L388 WeakPolarHBondContact O-CB 3.47Å; D385-L388 PolarHBondContact O-N 3.46Å; D385-A389 PolarHBondContact O-N 3.11Å; D385-A389 VanDerWaalsContact O-N 3.08Å; D385-K403 IonicContact OD2-NZ 3.86Å |
| 386 | E | 75.5 | Confident | 72.3 | Confident | 166 Ų | 166 | 96.4 Ų | 96.4 | 78% | 0.776 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -66.7 | -37.3 | 172.5 | -69.1 | -170 | 90.3 | 0 | 0 | 113.7 | S384 L388 A389 | S384-E386 PolarHBondContact O-N 2.95Å; E386-L388 VanDerWaalsContact C-N 3.31Å; E386-A389 PolarHBondContact O-N 3.25Å |
| 387 | Q | 68.1 | Low | 72.9 | Confident | 100 Ų | 100 | 99.4 Ų | 99.4 | 47% | 0.467 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -71.6 | -31.2 | 172.4 | -73 | -178.8 | -51.6 | 0 | 0 | 111.2 | L383 S384 A389 L390 | L383-Q387 HydrophobicContact CB-CB 4.39Å; L383-Q387 HydrophobicContact CD2-CB 3.91Å; L383-Q387 HydrophobicContact CD2-CG 4.47Å; S384-Q387 WeakPolarHBondContact O-CA 3.35Å; S384-Q387 WeakPolarHBondContact O-CB 3.49Å; S384-Q387 PolarHBondContact O-N 3.44Å; Q387-A389 PolarHBondContact O-N 3.39Å; Q387-L390 PolarHBondContact O-N 3.08Å |
| 388 | L | 70.7 | Confident | 73.1 | Confident | 10 Ų | 10 | 100.6 Ų | 100.6 | 5% | 0.052 | 51% | 0.514 | C | S | . | . | H | α-helix | trans | -64.3 | -30.3 | 173.5 | -138.3 | 81.6 | 0 | 0 | 0 | 112.7 | L383 S384 D385 E386 L390 L391 R396 I399 | L383-L388 HydrophobicContact CB-CD1 4.36Å; S384-L388 PolarHBondContact O-N 3.4Å; D385-L388 VanDerWaalsContact O-CB 3.31Å; D385-L388 WeakPolarHBondContact O-CB 3.47Å; D385-L388 PolarHBondContact O-N 3.46Å; E386-L388 VanDerWaalsContact C-N 3.31Å; L388-L390 VanDerWaalsContact C-N 3.34Å; L388-L391 HydrophobicContact CD1-CD1 4.33Å; L388-R396 HydrophobicContact CD2-CG 4.19Å; L388-R396 HydrophobicContact CG-CG 4.3Å; L388-I399 HydrophobicContact CD1-CB 4.17Å; L388-I399 HydrophobicContact CD1-CG2 3.56Å |
| 389 | A | 76.7 | Confident | 73.3 | Confident | 67 Ų | 67 | 95.8 Ų | 95.8 | 55% | 0.554 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -76 | -19.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | D385 E386 Q387 | D385-A389 PolarHBondContact O-N 3.11Å; D385-A389 VanDerWaalsContact O-N 3.08Å; E386-A389 PolarHBondContact O-N 3.25Å; Q387-A389 PolarHBondContact O-N 3.39Å |
| 390 | L | 78.3 | Confident | 73.7 | Confident | 152 Ų | 152 | 94 Ų | 94 | 80% | 0.796 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -84.8 | -13.3 | 176 | -98.9 | 140.8 | 0 | 0 | 0 | 113.4 | Q387 L388 | Q387-L390 PolarHBondContact O-N 3.08Å; L388-L390 VanDerWaalsContact C-N 3.34Å |
| 391 | L | 71.6 | Confident | 74.3 | Confident | 53 Ų | 53 | 97.2 Ų | 97.2 | 28% | 0.277 | 50% | 0.498 | S | S | . | . | S | Bend | trans | -80.5 | 147.3 | 177.8 | -75.2 | 160.9 | 0 | 0 | 0 | 111.1 | L383 L388 Q395 | L383-L391 HydrophobicContact CD1-CD1 4.27Å; L388-L391 HydrophobicContact CD1-CD1 4.33Å; L391-Q395 HydrophobicContact CB-CB 4.14Å; L391-Q395 HydrophobicContact CD2-CB 4.26Å |
| 392 | P | 78.8 | Confident | 74.4 | Confident | 87 Ų | 87 | 95.8 Ų | 95.8 | 57% | 0.565 | 49% | 0.491 | S | S | * | . | trans | -52.4 | 146.5 | 170.2 | -21.8 | 30.6 | 0 | 0 | 0 | 111.5 | D394 Q395 R396 | P392-D394 PolarHBondContact O-N 3.34Å; P392-Q395 HydrophobicContact CG-CG 4.43Å; P392-Q395 WeakPolarHBondContact O-CB 3.3Å; P392-Q395 PolarHBondContact O-N 3.14Å; P392-R396 PolarHBondContact O-N 2.93Å | ||
| 393 | E | 75.9 | Confident | 74.6 | Confident | 150 Ų | 150 | 93 Ų | 93 | 70% | 0.701 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -52.3 | -35.9 | -175.9 | -78.2 | -172.4 | 79 | 0 | 0 | 113.7 | R396 R397 | E393-R396 PolarHBondContact O-N 3.1Å; E393-R397 WeakPolarHBondContact O-CG 3.46Å; E393-R397 PolarHBondContact O-N 3.08Å |
| 394 | D | 75.6 | Confident | 75.2 | Confident | 132 Ų | 132 | 96.4 Ų | 96.4 | 71% | 0.706 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -64.8 | -42.8 | 178.8 | -132 | -93.1 | 0 | 0 | 0 | 112.5 | P392 S398 | P392-D394 PolarHBondContact O-N 3.34Å; D394-S398 PolarHBondContact O-N 3.33Å; D394-S398 VanDerWaalsContact O-N 3.12Å; D394-S398 PolarHBondContact O-OG 3.44Å; D394-S398 VanDerWaalsContact O-OG 3.05Å |
| 395 | Q | 74.9 | Confident | 74.9 | Confident | 107 Ų | 107 | 98.6 Ų | 98.6 | 50% | 0.5 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -68.2 | -45.4 | 174.6 | -71.1 | -79.3 | -25 | 0 | 0 | 110.1 | L391 P392 R397 S398 I399 | L391-Q395 HydrophobicContact CB-CB 4.14Å; L391-Q395 HydrophobicContact CD2-CB 4.26Å; P392-Q395 HydrophobicContact CG-CG 4.43Å; P392-Q395 WeakPolarHBondContact O-CB 3.3Å; P392-Q395 PolarHBondContact O-N 3.14Å; Q395-R397 VanDerWaalsContact C-N 3.34Å; Q395-R397 PolarHBondContact O-N 3.25Å; Q395-S398 PolarHBondContact O-N 2.94Å; Q395-I399 WeakPolarHBondContact O-CG1 3.35Å; Q395-I399 PolarHBondContact O-N 3.15Å |
| 396 | R | 79.7 | Confident | 74.6 | Confident | 101 Ų | 101 | 96.5 Ų | 96.5 | 38% | 0.381 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -57.8 | -44.1 | 177.9 | -176.6 | -179.7 | 176.2 | -178.6 | 1.8 | 111.9 | L388 P392 E393 M400 | L388-R396 HydrophobicContact CD2-CG 4.19Å; L388-R396 HydrophobicContact CG-CG 4.3Å; P392-R396 PolarHBondContact O-N 2.93Å; E393-R396 PolarHBondContact O-N 3.1Å; R396-M400 HydrophobicContact CG-CE 4.43Å; R396-M400 WeakPolarHBondContact O-CB 3.34Å; R396-M400 PolarHBondContact O-N 3.3Å |
| 397 | R | 80.5 | Confident | 74.2 | Confident | 169 Ų | 169 | 91.7 Ų | 91.7 | 64% | 0.638 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -64.1 | -44.9 | 176.1 | -78.3 | -174.4 | -177.9 | -171.8 | 3.1 | 112 | E393 Q395 I399 M400 I401 | E393-R397 WeakPolarHBondContact O-CG 3.46Å; E393-R397 PolarHBondContact O-N 3.08Å; Q395-R397 VanDerWaalsContact C-N 3.34Å; Q395-R397 PolarHBondContact O-N 3.25Å; R397-I399 PolarHBondContact O-N 2.88Å; R397-M400 PolarHBondContact O-N 3.17Å; R397-I401 WeakPolarHBondContact O-CG1 3.35Å; R397-I401 PolarHBondContact O-N 2.92Å |
| 398 | S | 74 | Confident | 74.1 | Confident | 69 Ų | 69 | 94 Ų | 94 | 48% | 0.483 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.5 | -43.5 | 179.1 | -65 | 0 | 0 | 0 | 0 | 112.2 | D394 Q395 I401 L402 | D394-S398 PolarHBondContact O-N 3.33Å; D394-S398 VanDerWaalsContact O-N 3.12Å; D394-S398 PolarHBondContact O-OG 3.44Å; D394-S398 VanDerWaalsContact O-OG 3.05Å; Q395-S398 PolarHBondContact O-N 2.94Å; S398-I401 PolarHBondContact O-N 2.97Å; S398-L402 WeakPolarHBondContact O-CB 3.44Å; S398-L402 PolarHBondContact O-N 3.44Å |
| 399 | I | 74.8 | Confident | 73.7 | Confident | 16 Ų | 16 | 98 Ų | 98 | 8% | 0.082 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -65.5 | -41.5 | 176.8 | -57.1 | -88.9 | 0 | 0 | 0 | 110.9 | V380 L388 Q395 R397 I401 L402 K403 | V380-I399 HydrophobicContact CB-CD1 3.92Å; V380-I399 HydrophobicContact CG1-CB 4.37Å; V380-I399 HydrophobicContact CG1-CD1 3.34Å; V380-I399 HydrophobicContact CG1-CG1 4.38Å; V380-I399 HydrophobicContact CG1-CG2 3.46Å; V380-I399 VanDerWaalsContact CG1-CG2 3.46Å; V380-I399 HydrophobicContact CG2-CD1 3.3Å; L388-I399 HydrophobicContact CD1-CB 4.17Å; L388-I399 HydrophobicContact CD1-CG2 3.56Å; Q395-I399 WeakPolarHBondContact O-CG1 3.35Å; Q395-I399 PolarHBondContact O-N 3.15Å; R397-I399 PolarHBondContact O-N 2.88Å; I399-I401 VanDerWaalsContact C-N 3.34Å; I399-I401 PolarHBondContact O-N 3.14Å; I399-L402 PolarHBondContact O-N 3.06Å; I399-K403 VanDerWaalsContact O-CB 3.26Å; I399-K403 WeakPolarHBondContact O-CB 3.46Å; I399-K403 PolarHBondContact O-N 3.4Å |
| 400 | M | 77 | Confident | 72.6 | Confident | 96 Ų | 96 | 98.1 Ų | 98.1 | 47% | 0.473 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.4 | -41.2 | 178.7 | -167.8 | -175.7 | -53.3 | 0 | 0 | 111.9 | R396 R397 K403 E404 | R396-M400 HydrophobicContact CG-CE 4.43Å; R396-M400 WeakPolarHBondContact O-CB 3.34Å; R396-M400 PolarHBondContact O-N 3.3Å; R397-M400 PolarHBondContact O-N 3.17Å; M400-K403 PolarHBondContact O-N 3.39Å; M400-E404 WeakPolarHBondContact O-CB 3.45Å; M400-E404 PolarHBondContact O-N 3.16Å |
| 401 | I | 79.4 | Confident | 71.1 | Confident | 97 Ų | 97 | 95.2 Ų | 95.2 | 50% | 0.497 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.1 | -42.6 | 174.7 | -66.7 | 163.7 | 0 | 0 | 0 | 110.7 | R397 S398 I399 E404 Q405 | R397-I401 WeakPolarHBondContact O-CG1 3.35Å; R397-I401 PolarHBondContact O-N 2.92Å; S398-I401 PolarHBondContact O-N 2.97Å; I399-I401 VanDerWaalsContact C-N 3.34Å; I399-I401 PolarHBondContact O-N 3.14Å; I401-E404 PolarHBondContact O-N 3.42Å; I401-Q405 WeakPolarHBondContact O-CG 3.26Å; I401-Q405 PolarHBondContact O-N 3.35Å |
| 402 | L | 71.2 | Confident | 69.4 | Low | 60 Ų | 60 | 103 Ų | 103 | 31% | 0.314 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -65.7 | -40.6 | 179 | -162 | 66.9 | 0 | 0 | 0 | 111.7 | I377 S398 I399 E404 Q405 L406 | I377-L402 HydrophobicContact CG1-CD2 3.92Å; S398-L402 WeakPolarHBondContact O-CB 3.44Å; S398-L402 PolarHBondContact O-N 3.44Å; I399-L402 PolarHBondContact O-N 3.06Å; L402-E404 VanDerWaalsContact C-N 3.33Å; L402-Q405 PolarHBondContact O-N 3.07Å; L402-L406 HydrophobicContact CG-CD1 4.04Å; L402-L406 WeakPolarHBondContact O-CB 3.38Å; L402-L406 WeakPolarHBondContact O-CD1 3.47Å; L402-L406 WeakPolarHBondContact O-CG 3.41Å; L402-L406 PolarHBondContact O-N 2.99Å |
| 403 | K | 73.7 | Confident | 68.9 | Low | 91 Ų | 91 | 103.9 Ų | 103.9 | 40% | 0.396 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -64.7 | -36.5 | 175.1 | -161.9 | 175.8 | 170.2 | -177.3 | 0 | 111.1 | L381 D385 I399 M400 G407 | L381-K403 HydrophobicContact CD2-CG 4.41Å; D385-K403 IonicContact OD2-NZ 3.86Å; I399-K403 VanDerWaalsContact O-CB 3.26Å; I399-K403 WeakPolarHBondContact O-CB 3.46Å; I399-K403 PolarHBondContact O-N 3.4Å; M400-K403 PolarHBondContact O-N 3.39Å; K403-G407 PolarHBondContact O-N 3.46Å |
| 404 | E | 78.6 | Confident | 68.5 | Low | 119 Ų | 119 | 101.4 Ų | 101.4 | 56% | 0.556 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -70.3 | -41.5 | 173.5 | -166.8 | -175.9 | 110 | 0 | 0 | 112.6 | M400 I401 L402 G407 K408 | M400-E404 WeakPolarHBondContact O-CB 3.45Å; M400-E404 PolarHBondContact O-N 3.16Å; I401-E404 PolarHBondContact O-N 3.42Å; L402-E404 VanDerWaalsContact C-N 3.33Å; E404-G407 PolarHBondContact O-N 3.19Å; E404-K408 PolarHBondContact O-N 2.98Å; E404-K408 IonicContact OE1-NZ 2.81Å; E404-K408 PolarHBondContact OE1-NZ 3.31Å |
| 405 | Q | 67.1 | Low | 68.1 | Low | 120 Ų | 120 | 99.7 Ų | 99.7 | 56% | 0.561 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -66.9 | -41.4 | 177.7 | -74.2 | -173.6 | 39.4 | 0 | 0 | 111.9 | I401 L402 K408 T409 | I401-Q405 WeakPolarHBondContact O-CG 3.26Å; I401-Q405 PolarHBondContact O-N 3.35Å; L402-Q405 PolarHBondContact O-N 3.07Å; Q405-K408 PolarHBondContact O-N 3.21Å; Q405-T409 PolarHBondContact O-N 3.37Å; Q405-T409 PolarHBondContact O-OG1 2.88Å |
| 406 | L | 65.6 | Low | 67.8 | Low | 65 Ų | 65 | 99.3 Ų | 99.3 | 34% | 0.34 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -70.2 | -35.4 | 176.1 | -76 | 157.2 | 0 | 0 | 0 | 112.2 | I377 L381 L402 K408 T409 G410 | I377-L406 HydrophobicContact CG2-CD1 3.3Å; I377-L406 HydrophobicContact CG2-CD2 4.38Å; I377-L406 HydrophobicContact CG2-CG 4.48Å; L381-L406 HydrophobicContact CD1-CD1 4.17Å; L402-L406 HydrophobicContact CG-CD1 4.04Å; L402-L406 WeakPolarHBondContact O-CB 3.38Å; L402-L406 WeakPolarHBondContact O-CD1 3.47Å; L402-L406 WeakPolarHBondContact O-CG 3.41Å; L402-L406 PolarHBondContact O-N 2.99Å; L406-K408 PolarHBondContact O-N 2.96Å; L406-T409 PolarHBondContact O-N 3.06Å; L406-G410 PolarHBondContact O-N 3.08Å |
| 407 | G | 66.4 | Low | 67 | Low | 64 Ų | 64 | 99.2 Ų | 99.2 | 66% | 0.66 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -62.4 | -27.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | K403 E404 | K403-G407 PolarHBondContact O-N 3.46Å; E404-G407 PolarHBondContact O-N 3.19Å |
| 408 | K | 65.4 | Low | 66.1 | Low | 148 Ų | 148 | 94.5 Ų | 94.5 | 64% | 0.643 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -84.2 | -27 | 175.9 | -76.7 | 169.2 | 176.4 | 163.1 | 0 | 113.6 | E404 Q405 L406 | E404-K408 PolarHBondContact O-N 2.98Å; E404-K408 IonicContact OE1-NZ 2.81Å; E404-K408 PolarHBondContact OE1-NZ 3.31Å; Q405-K408 PolarHBondContact O-N 3.21Å; L406-K408 PolarHBondContact O-N 2.96Å |
| 409 | T | 61.9 | Low | 65.5 | Low | 94 Ų | 94 | 96.4 Ų | 96.4 | 58% | 0.577 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -87.6 | -20.3 | -178.5 | -66.3 | 0 | 0 | 0 | 0 | 113.4 | Q405 L406 A411 | Q405-T409 PolarHBondContact O-N 3.37Å; Q405-T409 PolarHBondContact O-OG1 2.88Å; L406-T409 PolarHBondContact O-N 3.06Å; T409-A411 PolarHBondContact O-N 3.49Å |
| 410 | G | 54.6 | Low | 64.8 | Low | 70 Ų | 70 | 102.5 Ų | 102.5 | 72% | 0.722 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.6 | 20.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | L406 | L406-G410 PolarHBondContact O-N 3.08Š|
| 411 | A | 46.8 | Very low | 63.8 | Low | 92 Ų | 92 | 103.1 Ų | 103.1 | 76% | 0.76 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.2 | 17.8 | -179 | 0 | 0 | 0 | 0 | 0 | 114.3 | T409 | T409-A411 PolarHBondContact O-N 3.49Š|
| 412 | I | 35.1 | Very low | 62.4 | Low | 217 Ų | 217 | 103.6 Ų | 103.6 | 100% | 1.113 | 60% | 0.604 | S | S | * | * | trans | -133.3 | 0 | 173.9 | 9.9 | 174.6 | 0 | 0 | 0 | 108.6 |
Retrieved 412 of 412 residues in 118.3 ms
(Link to these results)