| 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 | 42 | Very low | 52.1 | Low | 215 Ų | 215 | 123 Ų | 123 | 100% | 1.059 | 63% | 0.629 | S | S | * | * | 0 | 143.9 | 0 | -78.8 | 174.4 | 156.6 | 0 | 0 | 108.8 | E5 | M1-E5 WeakPolarHBondContact CG-OE2 3.36Š| |||
| 2 | M | 42.6 | Very low | 54.8 | Low | 144 Ų | 144 | 112.9 Ų | 112.9 | 71% | 0.709 | 58% | 0.577 | S | S | * | * | trans | -97.6 | 147.8 | 179.9 | -63.8 | -171.9 | -66.9 | 0 | 0 | 110.6 | A4 E5 | M2-A4 PolarHBondContact O-N 2.64Å; M2-A4 VanDerWaalsContact O-N 3.13Å; M2-E5 VanDerWaalsContact O-CB 3.25Å; M2-E5 WeakPolarHBondContact O-CB 3.49Å; M2-E5 PolarHBondContact O-N 2.78Å | ||
| 3 | L | 50.3 | Low | 57.1 | Low | 147 Ų | 147 | 106.8 Ų | 106.8 | 77% | 0.77 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -55.4 | -31.3 | 177.4 | -76.8 | 155.2 | 0 | 0 | 0 | 113.2 | E5 Q6 A7 | L3-E5 PolarHBondContact O-N 3.43Å; L3-Q6 PolarHBondContact O-N 3.23Å; L3-A7 PolarHBondContact O-N 3.22Å |
| 4 | A | 44.3 | Very low | 59.3 | Low | 72 Ų | 72 | 102.2 Ų | 102.2 | 60% | 0.595 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -59.8 | -27.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | M2 | M2-A4 PolarHBondContact O-N 2.64Å; M2-A4 VanDerWaalsContact O-N 3.13Å |
| 5 | E | 45 | Very low | 61.6 | Low | 115 Ų | 115 | 95.4 Ų | 95.4 | 54% | 0.537 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -78.3 | -30.9 | -179.2 | -162.6 | 170.3 | -151.9 | 0 | 0 | 111.5 | M1 M2 L3 | M1-E5 WeakPolarHBondContact CG-OE2 3.36Å; M2-E5 VanDerWaalsContact O-CB 3.25Å; M2-E5 WeakPolarHBondContact O-CB 3.49Å; M2-E5 PolarHBondContact O-N 2.78Å; L3-E5 PolarHBondContact O-N 3.43Å |
| 6 | Q | 47.3 | Very low | 63.6 | Low | 123 Ų | 123 | 91.7 Ų | 91.7 | 58% | 0.575 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -70.3 | -32.2 | 173 | -70.7 | 179.6 | -30.1 | 0 | 0 | 112.2 | L3 Q8 K9 | L3-Q6 PolarHBondContact O-N 3.23Å; Q6-Q8 PolarHBondContact O-N 3.17Å; Q6-K9 PolarHBondContact O-N 2.85Å |
| 7 | A | 46.4 | Very low | 65.6 | Low | 88 Ų | 88 | 86.3 Ų | 86.3 | 73% | 0.727 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -23.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114 | L3 | L3-A7 PolarHBondContact O-N 3.22Š|
| 8 | Q | 46.3 | Very low | 67.4 | Low | 179 Ų | 179 | 82.7 Ų | 82.7 | 84% | 0.836 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.4 | -11 | 177.7 | -69.3 | -168.4 | -18.3 | 0 | 0 | 114.3 | Q6 W10 | Q6-Q8 PolarHBondContact O-N 3.17Å; Q8-W10 PolarHBondContact O-N 2.61Å |
| 9 | K | 59.7 | Low | 69 | Low | 114 Ų | 114 | 78.4 Ų | 78.4 | 50% | 0.496 | 40% | 0.402 | S | S | . | . | S | Bend | trans | -80 | 121.6 | -179.9 | -169.1 | 169.1 | 179.5 | -177.5 | 0 | 110 | Q6 F11 | Q6-K9 PolarHBondContact O-N 2.85Å; K9-F11 HydrophobicContact CB-CD2 4.37Å; K9-F11 HydrophobicContact CB-CE2 3.73Å; K9-F11 HydrophobicContact CB-CZ 4.1Å; K9-F11 HydrophobicContact CD-CE1 4.14Å; K9-F11 HydrophobicContact CD-CE2 4.26Å; K9-F11 HydrophobicContact CD-CZ 3.74Å; K9-F11 HydrophobicContact CG-CD2 4.49Å; K9-F11 HydrophobicContact CG-CE1 4.42Å; K9-F11 HydrophobicContact CG-CE2 3.98Å; K9-F11 HydrophobicContact CG-CZ 3.95Å; K9-F11 WeakPolarHBondContact O-CD2 3.34Å; K9-F11 PolarHBondContact O-N 3.5Å |
| 10 | W | 72.9 | Confident | 70.5 | Confident | 122 Ų | 122 | 76.5 Ų | 76.5 | 46% | 0.462 | 39% | 0.392 | S | S | . | . | trans | -70.3 | 121.8 | 171.5 | -174.6 | 92.3 | 0 | 0 | 0 | 109.8 | Q8 P12 F109 F142 R144 | Q8-W10 PolarHBondContact O-N 2.61Å; W10-P12 HydrophobicContact CH2-CB 3.9Å; W10-P12 HydrophobicContact CZ3-CB 3.94Å; W10-P12 HydrophobicContact CZ3-CG 4.34Å; W10-F109 HydrophobicContact CE3-CE2 4.07Å; W10-F109 AromaticContact CZ3-CE2 3.92Å; W10-F109 HydrophobicContact CZ3-CE2 3.92Å; W10-F142 HydrophobicContact CH2-CB 4.04Å; W10-F142 HydrophobicContact CZ3-CB 4.15Å; W10-R144 HydrophobicContact CZ2-CB 3.6Å | ||
| 11 | F | 75.9 | Confident | 71.8 | Confident | 34 Ų | 34 | 75.7 Ų | 75.7 | 15% | 0.149 | 39% | 0.387 | C | S | . | . | trans | -114.1 | 137.3 | 171.6 | -65.4 | -86.8 | 0 | 0 | 0 | 109.5 | K9 L71 R144 | K9-F11 HydrophobicContact CB-CD2 4.37Å; K9-F11 HydrophobicContact CB-CE2 3.73Å; K9-F11 HydrophobicContact CB-CZ 4.1Å; K9-F11 HydrophobicContact CD-CE1 4.14Å; K9-F11 HydrophobicContact CD-CE2 4.26Å; K9-F11 HydrophobicContact CD-CZ 3.74Å; K9-F11 HydrophobicContact CG-CD2 4.49Å; K9-F11 HydrophobicContact CG-CE1 4.42Å; K9-F11 HydrophobicContact CG-CE2 3.98Å; K9-F11 HydrophobicContact CG-CZ 3.95Å; K9-F11 WeakPolarHBondContact O-CD2 3.34Å; K9-F11 PolarHBondContact O-N 3.5Å; F11-L71 HydrophobicContact CB-CD2 3.66Å; F11-L71 HydrophobicContact CD1-CD2 3.93Å; F11-L71 HydrophobicContact CD2-CD2 3.6Å; F11-L71 HydrophobicContact CE1-CD2 4.43Å; F11-L71 HydrophobicContact CE2-CD2 4.15Å; F11-L71 HydrophobicContact CG-CD2 3.47Å; F11-L71 VanDerWaalsContact CG-CD2 3.47Å; F11-R144 VanDerWaalsContact O-CD 3.26Å; F11-R144 WeakPolarHBondContact O-CD 3.29Å | ||
| 12 | P | 84.5 | Confident | 74.5 | Confident | 2 Ų | 2 | 65.5 Ų | 65.5 | 1% | 0.013 | 34% | 0.337 | C | S | . | . | trans | -77.2 | 153.8 | 173.3 | 33.1 | -33.9 | 0 | 0 | 0 | 110.8 | W10 L68 L72 F109 F142 M143 | W10-P12 HydrophobicContact CH2-CB 3.9Å; W10-P12 HydrophobicContact CZ3-CB 3.94Å; W10-P12 HydrophobicContact CZ3-CG 4.34Å; P12-L68 HydrophobicContact CB-CD1 3.9Å; P12-L68 HydrophobicContact CG-CD1 3.77Å; P12-L72 HydrophobicContact CG-CD1 3.67Å; P12-L72 HydrophobicContact CG-CG 4.35Å; P12-F109 VanDerWaalsContact CD-CE2 3.46Å; P12-F109 HydrophobicContact CG-CD2 4.03Å; P12-F109 HydrophobicContact CG-CE2 3.85Å; P12-F109 HydrophobicContact CG-CZ 4.41Å; P12-F142 HydrophobicContact CB-CB 3.84Å; P12-F142 HydrophobicContact CB-CD1 4.09Å; P12-F142 HydrophobicContact CB-CG 4.37Å; P12-F142 HydrophobicContact CG-CB 4.2Å; P12-F142 HydrophobicContact CG-CD1 3.84Å; P12-F142 HydrophobicContact CG-CG 4.26Å; P12-M143 CarbonylContact C-O 3.54Å; P12-M143 VanDerWaalsContact CA-O 3.22Å; P12-M143 WeakPolarHBondContact CA-O 3.08Å; P12-M143 VanDerWaalsContact CB-O 3.26Å; P12-M143 WeakPolarHBondContact CB-O 3.4Å | ||
| 13 | T | 84.6 | Confident | 77.1 | Confident | 34 Ų | 34 | 62.3 Ų | 62.3 | 21% | 0.209 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -113.2 | -15.4 | 171.2 | 56.7 | 0 | 0 | 0 | 0 | 111.8 | L68 M143 R144 N145 | T13-L68 PolarHBondContact O-N 3.48Å; T13-M143 PolarHBondContact N-O 2.88Å; T13-R144 HydrophobicContact CG2-CG 4.33Å; T13-N145 WeakPolarHBondContact CB-OD1 3.32Å; T13-N145 PolarHBondContact OG1-N 2.87Å; T13-N145 VanDerWaalsContact OG1-N 3.15Å; T13-N145 PolarHBondContact OG1-OD1 3.47Å |
| 14 | H | 89.2 | Confident | 79.2 | Confident | 42 Ų | 42 | 57.6 Ų | 57.6 | 19% | 0.194 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 153.6 | -178.4 | -70.2 | 67.3 | 0 | 0 | 0 | 110.4 | F66 M143 N145 | H14-F66 CarbonylContact C-O 3.31Å; H14-F66 VanDerWaalsContact CA-O 3.25Å; H14-F66 WeakPolarHBondContact CA-O 3.42Å; H14-M143 HydrophobicContact CB-CB 4.19Å; H14-M143 HydrophobicContact CB-CE 4.12Å; H14-M143 PolarHBondContact N-O 3.05Å; H14-M143 PolarHBondContact O-N 2.91Å; H14-N145 PolarHBondContact CE1-ND2 3.45Å |
| 15 | V | 92.4 | Very high | 81.7 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 126.4 | 168.4 | 64 | 0 | 0 | 0 | 0 | 110.1 | V17 L42 S65 F66 L68 L105 I140 F142 | V15-V17 HydrophobicContact CG2-CG2 4.09Å; V15-L42 HydrophobicContact CG1-CD2 3.69Å; V15-S65 WeakPolarHBondContact O-CA 3.39Å; V15-F66 HydrophobicContact CG1-CB 4.04Å; V15-F66 HydrophobicContact CG1-CD2 4.36Å; V15-F66 PolarHBondContact N-O 3.23Å; V15-F66 PolarHBondContact O-N 3Å; V15-L68 HydrophobicContact CB-CD2 4.2Å; V15-L68 HydrophobicContact CG1-CD2 3.84Å; V15-L105 HydrophobicContact CB-CD1 4.47Å; V15-L105 HydrophobicContact CG1-CD1 3.91Å; V15-L105 HydrophobicContact CG2-CD1 4.38Å; V15-L105 HydrophobicContact CG2-CD2 4.29Å; V15-I140 HydrophobicContact CG2-CG2 3.72Å; V15-F142 HydrophobicContact CB-CD1 4.25Å; V15-F142 HydrophobicContact CB-CE1 4.27Å; V15-F142 HydrophobicContact CG2-CD1 4.14Å; V15-F142 HydrophobicContact CG2-CE1 3.99Å |
| 16 | Q | 94.9 | Very high | 84 | Confident | 36 Ų | 36 | 54.5 Ų | 54.5 | 17% | 0.168 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 125.1 | 175.9 | -172.4 | -178.8 | 6.1 | 0 | 0 | 107.8 | E63 Q141 M143 | Q16-E63 VanDerWaalsContact CG-CD 3.41Å; Q16-E63 HydrophobicContact CG-CG 3.99Å; Q16-E63 WeakPolarHBondContact CG-OE1 3.41Å; Q16-E63 PolarHBondContact NE2-OE1 3.26Å; Q16-E63 PolarHBondContact NE2-OE2 3.17Å; Q16-Q141 HydrophobicContact CB-CB 4.26Å; Q16-Q141 WeakPolarHBondContact CB-O 3.25Å; Q16-Q141 PolarHBondContact N-O 2.81Å; Q16-Q141 PolarHBondContact O-N 2.82Å; Q16-Q141 VanDerWaalsContact OE1-NE2 3.07Å; Q16-M143 HydrophobicContact CB-CE 4Å; Q16-M143 HydrophobicContact CB-CG 4.48Å; Q16-M143 HydrophobicContact CB-SD 4.27Å; Q16-M143 PolarHBondContact OE1-SD 2.97Å |
| 17 | V | 97.1 | Very high | 86.2 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 105.1 | -175.4 | -176.9 | 0 | 0 | 0 | 0 | 109.2 | V15 I40 E63 A64 F66 L82 L84 V138 N139 | V15-V17 HydrophobicContact CG2-CG2 4.09Å; V17-I40 HydrophobicContact CB-CG2 4.32Å; V17-I40 HydrophobicContact CG1-CG2 3.92Å; V17-E63 WeakPolarHBondContact O-CA 3.04Å; V17-A64 PolarHBondContact N-O 2.68Å; V17-A64 PolarHBondContact O-N 3.49Å; V17-F66 HydrophobicContact CB-CE2 4.32Å; V17-F66 HydrophobicContact CG2-CD2 4.21Å; V17-F66 HydrophobicContact CG2-CE2 4.16Å; V17-L82 HydrophobicContact CG1-CD2 3.94Å; V17-L82 HydrophobicContact CG2-CD1 4.16Å; V17-L82 HydrophobicContact CG2-CD2 3.86Å; V17-L84 HydrophobicContact CG1-CD2 4.46Å; V17-V138 HydrophobicContact CG1-CG1 3.69Å; V17-N139 WeakPolarHBondContact CA-O 3.1Å |
| 18 | T | 97.9 | Very high | 88.4 | Confident | 22 Ų | 22 | 51.7 Ų | 51.7 | 14% | 0.135 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 108.7 | 178 | -33.2 | 0 | 0 | 0 | 0 | 110 | L20 E62 E63 V138 N139 | T18-L20 HydrophobicContact CG2-CD2 3.94Å; T18-L20 PolarHBondContact O-N 2.69Å; T18-E62 CarbonylContact C-O 3.56Å; T18-E62 WeakPolarHBondContact CA-O 3.4Å; T18-E63 HydrophobicContact CG2-CB 4.23Å; T18-E63 PolarHBondContact OG1-OE2 3.37Å; T18-V138 CarbonylContact O-C 3.49Å; T18-V138 WeakPolarHBondContact O-CA 3.31Å; T18-N139 PolarHBondContact N-O 2.85Å; T18-N139 PolarHBondContact O-N 3Å |
| 19 | V | 98.2 | Very high | 90.5 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 105.6 | 173.7 | 171.2 | 0 | 0 | 0 | 0 | 108.8 | T38 I40 T49 W60 K61 E62 L84 I136 V138 | V19-T38 HydrophobicContact CG1-CG2 4.34Å; V19-T38 HydrophobicContact CG2-CG2 4.32Å; V19-I40 HydrophobicContact CB-CD1 4.26Å; V19-I40 HydrophobicContact CG2-CD1 3.51Å; V19-I40 HydrophobicContact CG2-CG1 3.81Å; V19-T49 HydrophobicContact CB-CG2 4.37Å; V19-T49 HydrophobicContact CG1-CG2 4.36Å; V19-W60 HydrophobicContact CG1-CD2 4.33Å; V19-W60 HydrophobicContact CG1-CE3 3.56Å; V19-W60 HydrophobicContact CG1-CZ3 3.95Å; V19-K61 WeakPolarHBondContact O-CA 3.42Å; V19-K61 PolarHBondContact O-N 3.37Å; V19-E62 PolarHBondContact N-O 3.06Å; V19-E62 PolarHBondContact O-N 2.91Å; V19-E62 VanDerWaalsContact O-N 3.13Å; V19-L84 HydrophobicContact CG2-CD2 3.73Å; V19-I136 HydrophobicContact CG1-CD1 3.92Å; V19-I136 HydrophobicContact CG1-CG1 4.39Å; V19-V138 HydrophobicContact CG2-CG1 4.48Å; V19-V138 HydrophobicContact CG2-CG2 4.14Å |
| 20 | L | 98.2 | Very high | 91.7 | Very high | 41 Ų | 41 | 48.2 Ų | 48.2 | 22% | 0.215 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | -56.4 | -173.1 | -62.5 | 175.3 | 0 | 0 | 0 | 111.6 | T18 W60 K61 T117 K137 | T18-L20 HydrophobicContact CG2-CD2 3.94Å; T18-L20 PolarHBondContact O-N 2.69Å; L20-W60 PolarHBondContact O-N 3.18Å; L20-K61 HydrophobicContact CD2-CG 4.45Å; L20-K61 PolarHBondContact O-N 3.46Å; L20-T117 HydrophobicContact CD1-CG2 3.42Å; L20-T117 VanDerWaalsContact CD1-CG2 3.42Å; L20-K137 HydrophobicContact CB-CB 4.46Å; L20-K137 WeakPolarHBondContact CB-O 3.35Å; L20-K137 HydrophobicContact CD1-CD 4.16Å; L20-K137 HydrophobicContact CD1-CG 4.24Å; L20-K137 PolarHBondContact N-O 2.91Å |
| 21 | Q | 98.3 | Very high | 92.3 | Very high | 59 Ų | 59 | 46.3 Ų | 46.3 | 28% | 0.276 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -165.7 | 165.6 | -173.2 | 59.8 | -174.8 | 36.3 | 0 | 0 | 111 | P58 V59 W119 K137 | Q21-P58 CarbonylContact C-O 3.57Å; Q21-P58 WeakPolarHBondContact CA-O 3.46Å; Q21-P58 VanDerWaalsContact CB-O 3.25Å; Q21-P58 WeakPolarHBondContact CB-O 3.39Å; Q21-V59 HydrophobicContact CB-CB 4.33Å; Q21-V59 HydrophobicContact CB-CG1 4.43Å; Q21-V59 HydrophobicContact CB-CG2 3.96Å; Q21-W119 HydrophobicContact CG-CH2 3.88Å; Q21-W119 HydrophobicContact CG-CZ3 4.44Å; Q21-W119 VanDerWaalsContact NE2-CH2 3.26Å; Q21-W119 VanDerWaalsContact NE2-CZ2 3.25Å; Q21-K137 HydrophobicContact CG-CB 3.82Å; Q21-K137 HydrophobicContact CG-CD 4.3Å; Q21-K137 PolarHBondContact O-N 3Å |
| 22 | A | 98.2 | Very high | 93 | Very high | 2 Ų | 2 | 46.7 Ų | 46.7 | 2% | 0.017 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 163.5 | 161.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | L25 D57 P58 W60 E135 I136 | A22-L25 HydrophobicContact CB-CD1 4.03Å; A22-L25 HydrophobicContact CB-CD2 3.98Å; A22-L25 HydrophobicContact CB-CG 4.1Å; A22-D57 CarbonylContact O-C 3.47Å; A22-D57 VanDerWaalsContact O-C 3.31Å; A22-D57 VanDerWaalsContact O-CA 3.24Å; A22-D57 WeakPolarHBondContact O-CA 3.27Å; A22-P58 HydrophobicContact CB-CG 3.99Å; A22-P58 PolarHBondContact N-O 2.93Å; A22-W60 HydrophobicContact CB-CH2 4.05Å; A22-W60 HydrophobicContact CB-CZ3 3.87Å; A22-E135 CarbonylContact C-O 3.54Å; A22-E135 WeakPolarHBondContact CA-O 3.42Å; A22-E135 VanDerWaalsContact CB-O 3.28Å; A22-E135 WeakPolarHBondContact CB-O 3.4Å; A22-I136 HydrophobicContact CB-CB 4.34Å; A22-I136 HydrophobicContact CB-CG1 4.3Å |
| 23 | K | 96.9 | Very high | 93.5 | Very high | 77 Ų | 77 | 48.3 Ų | 48.3 | 34% | 0.335 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 153.1 | 175.4 | 70.5 | -176.7 | 167 | 75 | 0 | 112.7 | L25 D57 W119 G134 E135 | K23-L25 VanDerWaalsContact C-N 3.29Å; K23-L25 PolarHBondContact O-N 3.02Å; K23-D57 WeakPolarHBondContact CA-OD1 3.38Å; K23-D57 VanDerWaalsContact CB-OD1 3.29Å; K23-D57 WeakPolarHBondContact CB-OD1 3.5Å; K23-W119 HydrophobicContact CB-CH2 4Å; K23-W119 HydrophobicContact CB-CZ3 4.19Å; K23-W119 HydrophobicContact CD-CE3 4.46Å; K23-W119 HydrophobicContact CD-CH2 3.4Å; K23-W119 HydrophobicContact CD-CZ2 3.71Å; K23-W119 HydrophobicContact CD-CZ3 3.83Å; K23-W119 VanDerWaalsContact CE-CZ2 3.49Å; K23-W119 HydrophobicContact CG-CE3 4.36Å; K23-W119 HydrophobicContact CG-CH2 3.59Å; K23-W119 HydrophobicContact CG-CZ2 4.39Å; K23-W119 HydrophobicContact CG-CZ3 3.58Å; K23-G134 CarbonylContact O-C 3.6Å; K23-G134 WeakPolarHBondContact O-CA 3.46Å; K23-E135 WeakPolarHBondContact CE-OE2 3.46Å; K23-E135 HydrophobicContact CG-CB 4.49Å; K23-E135 PolarHBondContact N-O 3.35Å; K23-E135 IonicContact NZ-OE2 3.4Å; K23-E135 PolarHBondContact NZ-OE2 2.93Å; K23-E135 PolarHBondContact O-N 2.89Å |
| 24 | G | 95.3 | Very high | 94 | Very high | 48 Ų | 48 | 46.7 Ų | 46.7 | 50% | 0.495 | 26% | 0.259 | S | S | . | . | S | Bend | trans | 67.1 | 24.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | K26 D57 G134 | G24-K26 PolarHBondContact O-N 3.28Å; G24-D57 PolarHBondContact N-OD1 2.95Å; G24-G134 WeakPolarHBondContact O-CA 3.42Å; G24-G134 PolarHBondContact O-N 3.2Å |
| 25 | L | 96.2 | Very high | 94.4 | Very high | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.01 | 26% | 0.256 | C | S | . | . | P | Polyproline II helix | trans | -64.1 | 131.9 | -176.9 | -62 | -178.1 | 0 | 0 | 0 | 110.9 | A22 K23 A36 L56 P58 V86 L98 L122 R133 | A22-L25 HydrophobicContact CB-CD1 4.03Å; A22-L25 HydrophobicContact CB-CD2 3.98Å; A22-L25 HydrophobicContact CB-CG 4.1Å; K23-L25 VanDerWaalsContact C-N 3.29Å; K23-L25 PolarHBondContact O-N 3.02Å; L25-A36 HydrophobicContact CD1-CB 4.29Å; L25-L56 VanDerWaalsContact CB-O 3.26Å; L25-L56 WeakPolarHBondContact CB-O 3.35Å; L25-L56 WeakPolarHBondContact CG-O 3.4Å; L25-L56 PolarHBondContact N-O 3.23Å; L25-P58 HydrophobicContact CD1-CG 3.55Å; L25-V86 HydrophobicContact CD1-CG1 3.92Å; L25-V86 HydrophobicContact CD2-CG1 4.33Å; L25-L98 HydrophobicContact CD1-CD1 4.12Å; L25-L122 HydrophobicContact CD2-CD1 3.44Å; L25-L122 VanDerWaalsContact CD2-CD1 3.44Å; L25-R133 WeakPolarHBondContact CD2-O 3.29Å |
| 26 | K | 93.4 | Very high | 94.7 | Very high | 120 Ų | 120 | 46 Ų | 46 | 52% | 0.522 | 26% | 0.256 | S | S | . | . | P | Polyproline II helix | trans | -64.4 | 131.3 | -179.1 | -164.2 | 173.5 | -165.5 | 70 | 0 | 111 | G24 N34 L98 | G24-K26 PolarHBondContact O-N 3.28Å; K26-N34 PolarHBondContact O-ND2 2.96Å; K26-L98 VanDerWaalsContact O-CD2 3.29Å; K26-L98 WeakPolarHBondContact O-CD2 3.48Å |
| 27 | P | 94.3 | Very high | 94.8 | Very high | 63 Ų | 63 | 45 Ų | 45 | 41% | 0.409 | 25% | 0.251 | S | S | . | . | P | Polyproline II helix | trans | -63.6 | 138.6 | -178.4 | 23.9 | -35.4 | 0 | 0 | 0 | 113.6 | G32 L56 | P27-G32 WeakPolarHBondContact CB-O 3.41Å; P27-L56 HydrophobicContact CB-CD2 4.03Å |
| 28 | K | 93 | Very high | 94.9 | Very high | 88 Ų | 88 | 45 Ų | 45 | 38% | 0.383 | 25% | 0.251 | S | S | . | . | trans | -143.2 | -13.3 | -179.5 | -69.9 | -60.6 | 177.8 | -170.4 | 0 | 114.9 | N34 H88 K96 L98 | K28-N34 WeakPolarHBondContact CA-OD1 3.37Å; K28-N34 WeakPolarHBondContact CB-OD1 3.44Å; K28-N34 PolarHBondContact N-OD1 3.03Å; K28-H88 HydrophobicContact CB-CB 4.32Å; K28-K96 HydrophobicContact CB-CB 4.32Å; K28-K96 HydrophobicContact CB-CD 4.28Å; K28-K96 PolarHBondContact O-NZ 2.94Å; K28-L98 HydrophobicContact CB-CD2 3.92Å; K28-L98 HydrophobicContact CG-CD2 3.54Å | ||
| 29 | G | 88.7 | Confident | 94.9 | Very high | 15 Ų | 15 | 45.8 Ų | 45.8 | 16% | 0.155 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -72.6 | 168.1 | 169.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | S31 T33 N34 H88 | G29-S31 VanDerWaalsContact C-N 3.28Å; G29-S31 PolarHBondContact O-N 3.46Å; G29-T33 WeakPolarHBondContact CA-O 3.46Å; G29-T33 PolarHBondContact N-O 3.03Å; G29-N34 PolarHBondContact N-OD1 2.95Å; G29-H88 VanDerWaalsContact CA-NE2 3.27Å; G29-H88 WeakPolarHBondContact CA-NE2 3.31Å; G29-H88 PolarHBondContact N-NE2 2.87Å |
| 30 | K | 85.6 | Confident | 94.9 | Very high | 205 Ų | 205 | 45.8 Ų | 45.8 | 89% | 0.891 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -29.4 | 179.8 | -65.8 | -177.1 | 179.1 | -179.2 | 0 | 112.5 | G32 | K30-G32 VanDerWaalsContact C-N 3.33Š|
| 31 | S | 85.1 | Confident | 94.8 | Very high | 82 Ų | 82 | 46 Ų | 46 | 57% | 0.573 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | 5.6 | -177.4 | 42.9 | 0 | 0 | 0 | 0 | 114.6 | G29 T33 | G29-S31 VanDerWaalsContact C-N 3.28Å; G29-S31 PolarHBondContact O-N 3.46Å; S31-T33 PolarHBondContact O-N 3.09Å; S31-T33 PolarHBondContact OG-OG1 3.03Å |
| 32 | G | 91 | Very high | 94.5 | Very high | 43 Ų | 43 | 43.6 Ų | 43.6 | 44% | 0.443 | 24% | 0.243 | S | C | . | . | S | Bend | trans | 72 | 6.2 | -169.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | P27 K30 | P27-G32 WeakPolarHBondContact CB-O 3.41Å; K30-G32 VanDerWaalsContact C-N 3.33Å |
| 33 | T | 94.2 | Very high | 94.1 | Very high | 36 Ų | 36 | 45.3 Ų | 45.3 | 22% | 0.221 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -113.1 | -179.9 | 173.7 | 55.7 | 0 | 0 | 0 | 0 | 110.8 | G29 S31 K54 | G29-T33 WeakPolarHBondContact CA-O 3.46Å; G29-T33 PolarHBondContact N-O 3.03Å; S31-T33 PolarHBondContact O-N 3.09Å; S31-T33 PolarHBondContact OG-OG1 3.03Å; T33-K54 VanDerWaalsContact CB-C 3.47Å; T33-K54 WeakPolarHBondContact CB-O 3.33Å; T33-K54 WeakPolarHBondContact CG2-O 3.35Å |
| 34 | N | 96.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 138.7 | 172.8 | -65 | -46.1 | 0 | 0 | 0 | 111.3 | K26 K28 G29 A36 K54 T55 L56 L98 | K26-N34 PolarHBondContact O-ND2 2.96Å; K28-N34 WeakPolarHBondContact CA-OD1 3.37Å; K28-N34 WeakPolarHBondContact CB-OD1 3.44Å; K28-N34 PolarHBondContact N-OD1 3.03Å; G29-N34 PolarHBondContact N-OD1 2.95Å; N34-A36 HydrophobicContact CB-CB 4.27Å; N34-K54 PolarHBondContact O-N 2.92Å; N34-K54 VanDerWaalsContact O-N 3.12Å; N34-T55 CarbonylContact C-O 3.59Å; N34-T55 WeakPolarHBondContact CA-O 3.31Å; N34-T55 WeakPolarHBondContact CB-O 3.35Å; N34-T55 PolarHBondContact N-O 3.22Å; N34-T55 PolarHBondContact O-N 3.42Å; N34-L56 WeakPolarHBondContact ND2-CD2 3.45Å; N34-L98 HydrophobicContact CB-CD1 4.13Å |
| 35 | D | 97.2 | Very high | 93.5 | Very high | 26 Ų | 26 | 53.8 Ų | 53.8 | 14% | 0.139 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 99.1 | 160.1 | -47 | -59.8 | 0 | 0 | 0 | 106.7 | V51 A52 E53 K54 H88 R89 | D35-V51 HydrophobicContact CB-CG1 3.88Å; D35-A52 CarbonylContact C-O 3.52Å; D35-A52 WeakPolarHBondContact CA-O 3.33Å; D35-E53 WeakPolarHBondContact OD1-CA 3.41Å; D35-K54 PolarHBondContact OD1-N 2.93Å; D35-H88 PolarHBondContact N-ND1 2.6Å; D35-H88 VanDerWaalsContact N-ND1 3.15Å; D35-H88 CarbonylContact O-C 3.04Å; D35-H88 VanDerWaalsContact O-CA 3.24Å; D35-H88 WeakPolarHBondContact O-CA 3.46Å; D35-H88 PolarHBondContact O-ND1 3.01Å; D35-H88 IonicContact OD2-CE1 3.77Å; D35-H88 PolarHBondContact OD2-CE1 3.29Å; D35-R89 HydrophobicContact CB-CB 4.39Å; D35-R89 PolarHBondContact O-N 2.92Å |
| 36 | A | 97.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 136.9 | -160 | 0 | 0 | 0 | 0 | 0 | 113.7 | L25 N34 V51 A52 P58 W60 M87 L98 | L25-A36 HydrophobicContact CD1-CB 4.29Å; N34-A36 HydrophobicContact CB-CB 4.27Å; A36-V51 WeakPolarHBondContact O-CA 3.32Å; A36-A52 PolarHBondContact N-O 2.85Å; A36-A52 PolarHBondContact O-N 3.46Å; A36-P58 HydrophobicContact CB-CB 4.2Å; A36-P58 HydrophobicContact CB-CG 4.04Å; A36-W60 HydrophobicContact CB-CZ2 4.19Å; A36-W60 PolarHBondContact O-NE1 3.11Å; A36-M87 WeakPolarHBondContact CA-O 3.36Å; A36-L98 HydrophobicContact CB-CD1 4.08Å |
| 37 | Y | 98.4 | Very high | 93.7 | Very high | 16 Ų | 16 | 58.6 Ų | 58.6 | 6% | 0.063 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 156.8 | 171.1 | 73.5 | -79.2 | 0 | 0 | 0 | 110.8 | I39 S50 V51 M87 R89 D95 | Y37-I39 HydrophobicContact CD2-CG1 4.27Å; Y37-I39 HydrophobicContact CE2-CD1 4.13Å; Y37-I39 HydrophobicContact CE2-CG1 3.67Å; Y37-S50 WeakPolarHBondContact CB-O 3.4Å; Y37-V51 HydrophobicContact CD1-CG2 4.37Å; Y37-V51 HydrophobicContact CG-CG2 4.48Å; Y37-M87 HydrophobicContact CD1-CB 4.02Å; Y37-M87 WeakPolarHBondContact CD1-O 3.21Å; Y37-M87 HydrophobicContact CE1-CB 3.46Å; Y37-M87 VanDerWaalsContact CE1-CB 3.46Å; Y37-M87 HydrophobicContact CE1-CG 4.49Å; Y37-M87 HydrophobicContact CE2-CB 4.17Å; Y37-M87 PolarHBondContact N-O 2.87Å; Y37-M87 PolarHBondContact O-N 3.09Å; Y37-R89 HydrophobicContact CD1-CB 4.34Å; Y37-R89 HydrophobicContact CE1-CB 4.4Å; Y37-D95 PolarHBondContact OH-OD2 3.34Å |
| 38 | T | 98.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 129.6 | 178 | -60.8 | 0 | 0 | 0 | 0 | 110.3 | V19 I40 S48 T49 W60 L84 V86 I136 | V19-T38 HydrophobicContact CG1-CG2 4.34Å; V19-T38 HydrophobicContact CG2-CG2 4.32Å; T38-I40 HydrophobicContact CG2-CG1 4.41Å; T38-S48 WeakPolarHBondContact O-CA 3.35Å; T38-T49 PolarHBondContact N-OG1 3.15Å; T38-T49 PolarHBondContact O-N 3.12Å; T38-W60 WeakPolarHBondContact OG1-CH2 3.43Å; T38-W60 WeakPolarHBondContact OG1-CZ3 3.24Å; T38-L84 HydrophobicContact CG2-CD2 4.29Å; T38-V86 HydrophobicContact CG2-CG2 4.49Å; T38-I136 HydrophobicContact CG2-CD1 3.82Å |
| 39 | I | 98.3 | Very high | 94.1 | Very high | 38 Ų | 38 | 54.7 Ų | 54.7 | 20% | 0.195 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 124.6 | 166.4 | -53.1 | 174.2 | 0 | 0 | 0 | 107.3 | Y37 Y47 V85 M87 | Y37-I39 HydrophobicContact CD2-CG1 4.27Å; Y37-I39 HydrophobicContact CE2-CD1 4.13Å; Y37-I39 HydrophobicContact CE2-CG1 3.67Å; I39-Y47 WeakPolarHBondContact CA-O 3.29Å; I39-Y47 WeakPolarHBondContact CG2-O 3.46Å; I39-V85 HydrophobicContact CB-CB 4.3Å; I39-V85 PolarHBondContact N-O 3.18Å; I39-V85 PolarHBondContact O-N 3.34Å; I39-M87 HydrophobicContact CD1-CG 4.17Å |
| 40 | I | 97.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 117.5 | 174.1 | -44.9 | 175.1 | 0 | 0 | 0 | 106.5 | V17 V19 T38 K46 Y47 A64 F66 L82 L84 | V17-I40 HydrophobicContact CB-CG2 4.32Å; V17-I40 HydrophobicContact CG1-CG2 3.92Å; V19-I40 HydrophobicContact CB-CD1 4.26Å; V19-I40 HydrophobicContact CG2-CD1 3.51Å; V19-I40 HydrophobicContact CG2-CG1 3.81Å; T38-I40 HydrophobicContact CG2-CG1 4.41Å; I40-K46 CarbonylContact O-C 3.57Å; I40-K46 WeakPolarHBondContact O-CA 3.46Å; I40-Y47 HydrophobicContact CD1-CD1 3.93Å; I40-Y47 HydrophobicContact CG1-CD1 4.42Å; I40-Y47 PolarHBondContact N-O 3.45Å; I40-Y47 PolarHBondContact O-N 2.97Å; I40-A64 HydrophobicContact CD1-CB 4.06Å; I40-F66 HydrophobicContact CB-CE2 4.47Å; I40-F66 HydrophobicContact CB-CZ 4.03Å; I40-F66 HydrophobicContact CG2-CE2 3.61Å; I40-F66 HydrophobicContact CG2-CZ 3.57Å; I40-L82 HydrophobicContact CG2-CD1 3.75Å; I40-L84 HydrophobicContact CB-CD2 4.41Å; I40-L84 HydrophobicContact CG1-CD2 4.13Å; I40-L84 HydrophobicContact CG2-CD2 3.98Å |
| 41 | Q | 95.9 | Very high | 95.1 | Very high | 45 Ų | 45 | 49.9 Ų | 49.9 | 21% | 0.21 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 130.8 | -177.5 | 167.1 | 176.9 | -5 | 0 | 0 | 111.2 | G43 E45 K46 Y83 | Q41-G43 PolarHBondContact NE2-O 3.02Å; Q41-E45 VanDerWaalsContact CA-O 3.3Å; Q41-E45 WeakPolarHBondContact CA-O 3.49Å; Q41-K46 HydrophobicContact CB-CD 4.37Å; Q41-K46 HydrophobicContact CB-CG 4.02Å; Q41-K46 VanDerWaalsContact CD-CE 3.41Å; Q41-K46 VanDerWaalsContact CD-NZ 3.31Å; Q41-K46 HydrophobicContact CG-CD 4.29Å; Q41-K46 HydrophobicContact CG-CG 3.96Å; Q41-K46 VanDerWaalsContact OE1-CE 3.25Å; Q41-Y83 PolarHBondContact N-O 2.92Å; Q41-Y83 PolarHBondContact O-N 3.26Å |
| 42 | L | 93.1 | Very high | 95.7 | Very high | 9 Ų | 9 | 46.9 Ų | 46.9 | 5% | 0.047 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 117.5 | 166.3 | -173.4 | 61.3 | 0 | 0 | 0 | 109.2 | V15 K44 E45 F66 L68 L82 L105 | V15-L42 HydrophobicContact CG1-CD2 3.69Å; L42-K44 PolarHBondContact O-N 3.34Å; L42-E45 PolarHBondContact N-O 3.32Å; L42-E45 PolarHBondContact O-N 3.44Å; L42-F66 HydrophobicContact CB-CB 4.31Å; L42-F66 HydrophobicContact CB-CD1 3.9Å; L42-F66 HydrophobicContact CB-CD2 4.48Å; L42-F66 HydrophobicContact CB-CE1 4.33Å; L42-F66 HydrophobicContact CB-CG 3.98Å; L42-F66 HydrophobicContact CD2-CB 3.75Å; L42-F66 HydrophobicContact CD2-CG 4.23Å; L42-L68 HydrophobicContact CD2-CD2 4.03Å; L42-L82 HydrophobicContact CD1-CB 4.42Å; L42-L105 HydrophobicContact CD1-CD1 3.71Å; L42-L105 HydrophobicContact CD2-CD1 3.87Å; L42-L105 HydrophobicContact CG-CD1 4.48Å |
| 43 | G | 88.9 | Confident | 96 | Very high | 38 Ų | 38 | 50.7 Ų | 50.7 | 39% | 0.392 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.8 | -110 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q41 | Q41-G43 PolarHBondContact NE2-O 3.02Š|
| 44 | K | 87.6 | Confident | 96 | Very high | 206 Ų | 206 | 55.2 Ų | 55.2 | 90% | 0.896 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | -25.4 | 178.8 | -64.7 | 179.3 | -178.5 | 175.5 | 0 | 113.6 | L42 | L42-K44 PolarHBondContact O-N 3.34Š|
| 45 | E | 92.3 | Very high | 96 | Very high | 97 Ų | 97 | 57.1 Ų | 57.1 | 45% | 0.453 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 141 | -173 | -63.9 | -173.9 | 164.7 | 0 | 0 | 110.9 | Q41 L42 F66 | Q41-E45 VanDerWaalsContact CA-O 3.3Å; Q41-E45 WeakPolarHBondContact CA-O 3.49Å; L42-E45 PolarHBondContact N-O 3.32Å; L42-E45 PolarHBondContact O-N 3.44Å; E45-F66 HydrophobicContact CB-CD1 3.76Å; E45-F66 HydrophobicContact CB-CE1 4.05Å |
| 46 | K | 95.9 | Very high | 96 | Very high | 134 Ų | 134 | 58.3 Ų | 58.3 | 58% | 0.583 | 30% | 0.298 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 126.4 | -178.9 | -48.9 | -165.1 | -169.5 | -150.3 | 0 | 111.2 | I40 Q41 | I40-K46 CarbonylContact O-C 3.57Å; I40-K46 WeakPolarHBondContact O-CA 3.46Å; Q41-K46 HydrophobicContact CB-CD 4.37Å; Q41-K46 HydrophobicContact CB-CG 4.02Å; Q41-K46 VanDerWaalsContact CD-CE 3.41Å; Q41-K46 VanDerWaalsContact CD-NZ 3.31Å; Q41-K46 HydrophobicContact CG-CD 4.29Å; Q41-K46 HydrophobicContact CG-CG 3.96Å; Q41-K46 VanDerWaalsContact OE1-CE 3.25Å |
| 47 | Y | 97.7 | Very high | 96 | Very high | 89 Ų | 89 | 62.4 Ų | 62.4 | 35% | 0.349 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 162.6 | 164.7 | -173.8 | -96.5 | 0 | 0 | 0 | 109.7 | I39 I40 A64 | I39-Y47 WeakPolarHBondContact CA-O 3.29Å; I39-Y47 WeakPolarHBondContact CG2-O 3.46Å; I40-Y47 HydrophobicContact CD1-CD1 3.93Å; I40-Y47 HydrophobicContact CG1-CD1 4.42Å; I40-Y47 PolarHBondContact N-O 3.45Å; I40-Y47 PolarHBondContact O-N 2.97Å; Y47-A64 HydrophobicContact CD1-CB 4.01Å; Y47-A64 HydrophobicContact CD2-CB 4.18Å; Y47-A64 HydrophobicContact CG-CB 3.69Å |
| 48 | S | 97.9 | Very high | 95.9 | Very high | 60 Ų | 60 | 61.7 Ų | 61.7 | 42% | 0.42 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 129.8 | 170.9 | -67.3 | 0 | 0 | 0 | 0 | 109.3 | T38 | T38-S48 WeakPolarHBondContact O-CA 3.35Å |
| 49 | T | 98.3 | Very high | 95.9 | Very high | 9 Ų | 9 | 65.3 Ų | 65.3 | 6% | 0.055 | 34% | 0.339 | C | S | . | . | trans | -67 | 168.1 | 177.8 | 68 | 0 | 0 | 0 | 0 | 111.6 | V19 T38 W60 E62 | V19-T49 HydrophobicContact CB-CG2 4.37Å; V19-T49 HydrophobicContact CG1-CG2 4.36Å; T38-T49 PolarHBondContact N-OG1 3.15Å; T38-T49 PolarHBondContact O-N 3.12Å; T49-W60 HydrophobicContact CG2-CB 4.39Å; T49-W60 HydrophobicContact CG2-CG 4.28Å; T49-W60 PolarHBondContact OG1-NE1 3.26Å; T49-E62 WeakPolarHBondContact CA-OE2 3.14Å; T49-E62 HydrophobicContact CG2-CB 4.11Å | ||
| 50 | S | 97.9 | Very high | 95.9 | Very high | 64 Ų | 64 | 64.5 Ų | 64.5 | 45% | 0.448 | 33% | 0.334 | S | S | . | . | trans | -56.3 | 163.5 | 161.5 | 74.5 | 0 | 0 | 0 | 0 | 112.2 | Y37 W60 E62 | Y37-S50 WeakPolarHBondContact CB-O 3.4Å; S50-W60 VanDerWaalsContact O-CD1 3.24Å; S50-W60 PolarHBondContact O-NE1 3.1Å; S50-E62 WeakPolarHBondContact CB-OE1 3.47Å; S50-E62 VanDerWaalsContact N-CD 3.29Å; S50-E62 PolarHBondContact N-OE1 3Å; S50-E62 PolarHBondContact N-OE2 3.04Å; S50-E62 PolarHBondContact OG-OE1 2.96Å | ||
| 51 | V | 98 | Very high | 95.9 | Very high | 55 Ų | 55 | 71.7 Ų | 71.7 | 33% | 0.333 | 37% | 0.365 | S | S | . | . | trans | -92 | 114.3 | 175.9 | -175 | 0 | 0 | 0 | 0 | 108.8 | D35 A36 Y37 E53 R89 | D35-V51 HydrophobicContact CB-CG1 3.88Å; A36-V51 WeakPolarHBondContact O-CA 3.32Å; Y37-V51 HydrophobicContact CD1-CG2 4.37Å; Y37-V51 HydrophobicContact CG-CG2 4.48Å; V51-E53 PolarHBondContact O-N 3.27Å; V51-R89 HydrophobicContact CG1-CB 4.14Å; V51-R89 HydrophobicContact CG2-CB 4.41Å | ||
| 52 | A | 97.7 | Very high | 96 | Very high | 19 Ų | 19 | 71.2 Ų | 71.2 | 16% | 0.157 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 105.4 | 168.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | D35 A36 T55 P58 | D35-A52 CarbonylContact C-O 3.52Å; D35-A52 WeakPolarHBondContact CA-O 3.33Å; A36-A52 PolarHBondContact N-O 2.85Å; A36-A52 PolarHBondContact O-N 3.46Å; A52-T55 HydrophobicContact CB-CG2 4.16Å; A52-P58 HydrophobicContact CB-CB 3.49Å; A52-P58 VanDerWaalsContact CB-CB 3.49Å |
| 53 | E | 96.3 | Very high | 96.1 | Very high | 123 Ų | 123 | 74.6 Ų | 74.6 | 58% | 0.575 | 38% | 0.378 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 151.1 | -175 | -68.9 | -166.3 | -170.9 | 0 | 0 | 114.1 | D35 V51 T55 | D35-E53 WeakPolarHBondContact OD1-CA 3.41Å; V51-E53 PolarHBondContact O-N 3.27Å; E53-T55 VanDerWaalsContact C-N 3.25Å; E53-T55 PolarHBondContact O-N 3.23Å |
| 54 | K | 95.2 | Very high | 96.4 | Very high | 132 Ų | 132 | 73.1 Ų | 73.1 | 57% | 0.574 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 51.2 | 31.2 | 162.4 | -58.6 | 172.4 | -171.4 | 101.4 | 0 | 116.1 | T33 N34 D35 | T33-K54 VanDerWaalsContact CB-C 3.47Å; T33-K54 WeakPolarHBondContact CB-O 3.33Å; T33-K54 WeakPolarHBondContact CG2-O 3.35Å; N34-K54 PolarHBondContact O-N 2.92Å; N34-K54 VanDerWaalsContact O-N 3.12Å; D35-K54 PolarHBondContact OD1-N 2.93Å |
| 55 | T | 96.3 | Very high | 96.7 | Very high | 39 Ų | 39 | 66.3 Ų | 66.3 | 24% | 0.239 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 162.1 | -177.5 | -177.2 | 0 | 0 | 0 | 0 | 112.7 | N34 A52 E53 D57 P58 | N34-T55 CarbonylContact C-O 3.59Å; N34-T55 WeakPolarHBondContact CA-O 3.31Å; N34-T55 WeakPolarHBondContact CB-O 3.35Å; N34-T55 PolarHBondContact N-O 3.22Å; N34-T55 PolarHBondContact O-N 3.42Å; A52-T55 HydrophobicContact CB-CG2 4.16Å; E53-T55 VanDerWaalsContact C-N 3.25Å; E53-T55 PolarHBondContact O-N 3.23Å; T55-D57 PolarHBondContact OG1-N 3.38Å; T55-D57 PolarHBondContact OG1-O 3.24Å; T55-P58 HydrophobicContact CG2-CB 3.74Å |
| 56 | L | 96 | Very high | 96.7 | Very high | 51 Ų | 51 | 62 Ų | 62 | 27% | 0.267 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -107.8 | -10.6 | 166.1 | -57.8 | -176.2 | 0 | 0 | 0 | 112.2 | L25 P27 N34 P58 | L25-L56 VanDerWaalsContact CB-O 3.26Å; L25-L56 WeakPolarHBondContact CB-O 3.35Å; L25-L56 WeakPolarHBondContact CG-O 3.4Å; L25-L56 PolarHBondContact N-O 3.23Å; P27-L56 HydrophobicContact CB-CD2 4.03Å; N34-L56 WeakPolarHBondContact ND2-CD2 3.45Å; L56-P58 VanDerWaalsContact C-CD 3.47Å; L56-P58 WeakPolarHBondContact O-CD 3.48Å |
| 57 | D | 97.2 | Very high | 96.4 | Very high | 87 Ų | 87 | 61.2 Ų | 61.2 | 47% | 0.465 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -127.7 | 69 | -177.7 | -52.5 | -75.9 | 0 | 0 | 0 | 108.7 | A22 K23 G24 T55 | A22-D57 CarbonylContact O-C 3.47Å; A22-D57 VanDerWaalsContact O-C 3.31Å; A22-D57 VanDerWaalsContact O-CA 3.24Å; A22-D57 WeakPolarHBondContact O-CA 3.27Å; K23-D57 WeakPolarHBondContact CA-OD1 3.38Å; K23-D57 VanDerWaalsContact CB-OD1 3.29Å; K23-D57 WeakPolarHBondContact CB-OD1 3.5Å; G24-D57 PolarHBondContact N-OD1 2.95Å; T55-D57 PolarHBondContact OG1-N 3.38Å; T55-D57 PolarHBondContact OG1-O 3.24Å |
| 58 | P | 97.7 | Very high | 95.8 | Very high | 1 Ų | 1 | 57.3 Ų | 57.3 | 1% | 0.006 | 30% | 0.304 | C | S | . | . | trans | -71.8 | 144.1 | -174.2 | 30.2 | -37 | 0 | 0 | 0 | 112.3 | Q21 A22 L25 A36 A52 T55 L56 W60 | Q21-P58 CarbonylContact C-O 3.57Å; Q21-P58 WeakPolarHBondContact CA-O 3.46Å; Q21-P58 VanDerWaalsContact CB-O 3.25Å; Q21-P58 WeakPolarHBondContact CB-O 3.39Å; A22-P58 HydrophobicContact CB-CG 3.99Å; A22-P58 PolarHBondContact N-O 2.93Å; L25-P58 HydrophobicContact CD1-CG 3.55Å; A36-P58 HydrophobicContact CB-CB 4.2Å; A36-P58 HydrophobicContact CB-CG 4.04Å; A52-P58 HydrophobicContact CB-CB 3.49Å; A52-P58 VanDerWaalsContact CB-CB 3.49Å; T55-P58 HydrophobicContact CG2-CB 3.74Å; L56-P58 VanDerWaalsContact C-CD 3.47Å; L56-P58 WeakPolarHBondContact O-CD 3.48Å; P58-W60 HydrophobicContact CB-CD2 4.45Å; P58-W60 HydrophobicContact CB-CH2 3.92Å; P58-W60 HydrophobicContact CB-CZ2 3.67Å; P58-W60 HydrophobicContact CB-CZ3 4.38Å; P58-W60 HydrophobicContact CG-CH2 3.34Å; P58-W60 HydrophobicContact CG-CZ2 3.55Å; P58-W60 HydrophobicContact CG-CZ3 3.9Å | ||
| 59 | V | 98.3 | Very high | 94.3 | Very high | 76 Ų | 76 | 58 Ų | 58 | 46% | 0.461 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 124.6 | 176.3 | -177.8 | 0 | 0 | 0 | 0 | 108 | Q21 K61 | Q21-V59 HydrophobicContact CB-CB 4.33Å; Q21-V59 HydrophobicContact CB-CG1 4.43Å; Q21-V59 HydrophobicContact CB-CG2 3.96Å; V59-K61 HydrophobicContact CG1-CD 4.28Å; V59-K61 HydrophobicContact CG1-CG 4Å |
| 60 | W | 98 | Very high | 92.5 | Very high | 20 Ų | 20 | 59.8 Ų | 59.8 | 8% | 0.076 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | -53.1 | -178.1 | -59.8 | -78 | 0 | 0 | 0 | 111.1 | V19 L20 A22 A36 T38 T49 S50 P58 E62 V86 | V19-W60 HydrophobicContact CG1-CD2 4.33Å; V19-W60 HydrophobicContact CG1-CE3 3.56Å; V19-W60 HydrophobicContact CG1-CZ3 3.95Å; L20-W60 PolarHBondContact O-N 3.18Å; A22-W60 HydrophobicContact CB-CH2 4.05Å; A22-W60 HydrophobicContact CB-CZ3 3.87Å; A36-W60 HydrophobicContact CB-CZ2 4.19Å; A36-W60 PolarHBondContact O-NE1 3.11Å; T38-W60 WeakPolarHBondContact OG1-CH2 3.43Å; T38-W60 WeakPolarHBondContact OG1-CZ3 3.24Å; T49-W60 HydrophobicContact CG2-CB 4.39Å; T49-W60 HydrophobicContact CG2-CG 4.28Å; T49-W60 PolarHBondContact OG1-NE1 3.26Å; S50-W60 VanDerWaalsContact O-CD1 3.24Å; S50-W60 PolarHBondContact O-NE1 3.1Å; P58-W60 HydrophobicContact CB-CD2 4.45Å; P58-W60 HydrophobicContact CB-CH2 3.92Å; P58-W60 HydrophobicContact CB-CZ2 3.67Å; P58-W60 HydrophobicContact CB-CZ3 4.38Å; P58-W60 HydrophobicContact CG-CH2 3.34Å; P58-W60 HydrophobicContact CG-CZ2 3.55Å; P58-W60 HydrophobicContact CG-CZ3 3.9Å; W60-E62 HydrophobicContact CB-CB 4.34Å; W60-E62 HydrophobicContact CB-CG 4.24Å; W60-E62 PolarHBondContact O-N 3.13Å; W60-V86 HydrophobicContact CH2-CG1 4.2Å |
| 61 | K | 97.1 | Very high | 90.7 | Very high | 151 Ų | 151 | 61.6 Ų | 61.6 | 66% | 0.657 | 33% | 0.331 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 55.9 | 36.9 | -171.9 | -53.2 | 172.4 | -176.4 | 172.3 | 0 | 112.3 | V19 L20 V59 | V19-K61 WeakPolarHBondContact O-CA 3.42Å; V19-K61 PolarHBondContact O-N 3.37Å; L20-K61 HydrophobicContact CD2-CG 4.45Å; L20-K61 PolarHBondContact O-N 3.46Å; V59-K61 HydrophobicContact CG1-CD 4.28Å; V59-K61 HydrophobicContact CG1-CG 4Å |
| 62 | E | 97.8 | Very high | 88.7 | Confident | 36 Ų | 36 | 60 Ų | 60 | 17% | 0.168 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 154.8 | -177.6 | -73.1 | 173.2 | -113 | 0 | 0 | 111.1 | T18 V19 T49 S50 W60 | T18-E62 CarbonylContact C-O 3.56Å; T18-E62 WeakPolarHBondContact CA-O 3.4Å; V19-E62 PolarHBondContact N-O 3.06Å; V19-E62 PolarHBondContact O-N 2.91Å; V19-E62 VanDerWaalsContact O-N 3.13Å; T49-E62 WeakPolarHBondContact CA-OE2 3.14Å; T49-E62 HydrophobicContact CG2-CB 4.11Å; S50-E62 WeakPolarHBondContact CB-OE1 3.47Å; S50-E62 VanDerWaalsContact N-CD 3.29Å; S50-E62 PolarHBondContact N-OE1 3Å; S50-E62 PolarHBondContact N-OE2 3.04Å; S50-E62 PolarHBondContact OG-OE1 2.96Å; W60-E62 HydrophobicContact CB-CB 4.34Å; W60-E62 HydrophobicContact CB-CG 4.24Å; W60-E62 PolarHBondContact O-N 3.13Å |
| 63 | E | 96.4 | Very high | 86.4 | Confident | 80 Ų | 80 | 62.8 Ų | 62.8 | 37% | 0.374 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 142.2 | -169.7 | -172.5 | 170.9 | 111.4 | 0 | 0 | 112.4 | Q16 V17 T18 | Q16-E63 VanDerWaalsContact CG-CD 3.41Å; Q16-E63 HydrophobicContact CG-CG 3.99Å; Q16-E63 WeakPolarHBondContact CG-OE1 3.41Å; Q16-E63 PolarHBondContact NE2-OE1 3.26Å; Q16-E63 PolarHBondContact NE2-OE2 3.17Å; V17-E63 WeakPolarHBondContact O-CA 3.04Å; T18-E63 HydrophobicContact CG2-CB 4.23Å; T18-E63 PolarHBondContact OG1-OE2 3.37Å |
| 64 | A | 95.5 | Very high | 84.3 | Confident | 7 Ų | 7 | 66 Ų | 66 | 6% | 0.058 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 136.7 | 165.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | V17 I40 Y47 F66 | V17-A64 PolarHBondContact N-O 2.68Å; V17-A64 PolarHBondContact O-N 3.49Å; I40-A64 HydrophobicContact CD1-CB 4.06Å; Y47-A64 HydrophobicContact CD1-CB 4.01Å; Y47-A64 HydrophobicContact CD2-CB 4.18Å; Y47-A64 HydrophobicContact CG-CB 3.69Å; A64-F66 HydrophobicContact CB-CD2 4.41Å; A64-F66 HydrophobicContact CB-CE2 3.54Å; A64-F66 HydrophobicContact CB-CZ 3.65Å |
| 65 | S | 94.2 | Very high | 82.1 | Confident | 63 Ų | 63 | 68 Ų | 68 | 44% | 0.441 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 136.8 | 167.3 | -74.5 | 0 | 0 | 0 | 0 | 109.5 | V15 | V15-S65 WeakPolarHBondContact O-CA 3.39Å |
| 66 | F | 92.1 | Very high | 80.2 | Confident | 5 Ų | 5 | 69.5 Ų | 69.5 | 2% | 0.022 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 144.9 | -179.6 | -56.4 | -90.4 | 0 | 0 | 0 | 110.1 | H14 V15 V17 I40 L42 E45 A64 | H14-F66 CarbonylContact C-O 3.31Å; H14-F66 VanDerWaalsContact CA-O 3.25Å; H14-F66 WeakPolarHBondContact CA-O 3.42Å; V15-F66 HydrophobicContact CG1-CB 4.04Å; V15-F66 HydrophobicContact CG1-CD2 4.36Å; V15-F66 PolarHBondContact N-O 3.23Å; V15-F66 PolarHBondContact O-N 3Å; V17-F66 HydrophobicContact CB-CE2 4.32Å; V17-F66 HydrophobicContact CG2-CD2 4.21Å; V17-F66 HydrophobicContact CG2-CE2 4.16Å; I40-F66 HydrophobicContact CB-CE2 4.47Å; I40-F66 HydrophobicContact CB-CZ 4.03Å; I40-F66 HydrophobicContact CG2-CE2 3.61Å; I40-F66 HydrophobicContact CG2-CZ 3.57Å; L42-F66 HydrophobicContact CB-CB 4.31Å; L42-F66 HydrophobicContact CB-CD1 3.9Å; L42-F66 HydrophobicContact CB-CD2 4.48Å; L42-F66 HydrophobicContact CB-CE1 4.33Å; L42-F66 HydrophobicContact CB-CG 3.98Å; L42-F66 HydrophobicContact CD2-CB 3.75Å; L42-F66 HydrophobicContact CD2-CG 4.23Å; E45-F66 HydrophobicContact CB-CD1 3.76Å; E45-F66 HydrophobicContact CB-CE1 4.05Å; A64-F66 HydrophobicContact CB-CD2 4.41Å; A64-F66 HydrophobicContact CB-CE2 3.54Å; A64-F66 HydrophobicContact CB-CZ 3.65Å |
| 67 | E | 88.6 | Confident | 78.6 | Confident | 119 Ų | 119 | 70.8 Ų | 70.8 | 56% | 0.556 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81 | 137.3 | 171.6 | -172.1 | 167.5 | -151.7 | 0 | 0 | 110.3 | ||
| 68 | L | 85.6 | Confident | 76.9 | Confident | 7 Ų | 7 | 74.5 Ų | 74.5 | 4% | 0.037 | 40% | 0.395 | C | S | . | . | trans | -89.5 | 124 | 178.6 | -64 | 174.4 | 0 | 0 | 0 | 109.3 | P12 T13 V15 L42 G70 L72 Y80 L105 F142 | P12-L68 HydrophobicContact CB-CD1 3.9Å; P12-L68 HydrophobicContact CG-CD1 3.77Å; T13-L68 PolarHBondContact O-N 3.48Å; V15-L68 HydrophobicContact CB-CD2 4.2Å; V15-L68 HydrophobicContact CG1-CD2 3.84Å; L42-L68 HydrophobicContact CD2-CD2 4.03Å; L68-G70 PolarHBondContact O-N 3Å; L68-L72 HydrophobicContact CD1-CD2 4.42Å; L68-Y80 HydrophobicContact CD2-CD1 4.41Å; L68-L105 HydrophobicContact CD2-CD1 4.32Å; L68-F142 HydrophobicContact CD1-CD1 4.25Å | ||
| 69 | P | 65.6 | Low | 75.6 | Confident | 75 Ų | 75 | 79.2 Ų | 79.2 | 49% | 0.487 | 42% | 0.415 | S | S | . | . | S | Bend | trans | -77.1 | 68.4 | -171.5 | 31.2 | -37.8 | 0 | 0 | 0 | 113.4 | K79 Y80 | P69-K79 HydrophobicContact CG-CB 4.25Å; P69-K79 HydrophobicContact CG-CD 4.37Å; P69-Y80 HydrophobicContact CG-CE1 4.07Å; P69-Y80 PolarHBondContact O-OH 3.25Å |
| 70 | G | 61.5 | Low | 74.9 | Confident | 46 Ų | 46 | 76 Ų | 76 | 47% | 0.474 | 40% | 0.395 | S | S | . | . | S | Bend | trans | 108.8 | -175.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | L68 | L68-G70 PolarHBondContact O-N 3Š|
| 71 | L | 59 | Low | 74.6 | Confident | 101 Ų | 101 | 76.2 Ų | 76.2 | 53% | 0.529 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -56.4 | 142.9 | 164.4 | -68.4 | 170.3 | 0 | 0 | 0 | 109.2 | F11 T73 Y80 | F11-L71 HydrophobicContact CB-CD2 3.66Å; F11-L71 HydrophobicContact CD1-CD2 3.93Å; F11-L71 HydrophobicContact CD2-CD2 3.6Å; F11-L71 HydrophobicContact CE1-CD2 4.43Å; F11-L71 HydrophobicContact CE2-CD2 4.15Å; F11-L71 HydrophobicContact CG-CD2 3.47Å; F11-L71 VanDerWaalsContact CG-CD2 3.47Å; L71-T73 VanDerWaalsContact CB-OG1 3.29Å; L71-T73 WeakPolarHBondContact CB-OG1 3.48Å; L71-T73 PolarHBondContact O-N 3.34Å; L71-T73 PolarHBondContact O-OG1 3.13Å; L71-Y80 PolarHBondContact O-OH 2.81Å |
| 72 | L | 56.8 | Low | 74.5 | Confident | 22 Ų | 22 | 69 Ų | 69 | 12% | 0.115 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -65.9 | 80.7 | 172.5 | -65.5 | 178.5 | 0 | 0 | 0 | 109.6 | P12 L68 Y80 F109 | P12-L72 HydrophobicContact CG-CD1 3.67Å; P12-L72 HydrophobicContact CG-CG 4.35Å; L68-L72 HydrophobicContact CD1-CD2 4.42Å; L72-Y80 HydrophobicContact CD2-CD1 3.59Å; L72-Y80 HydrophobicContact CD2-CE1 3.45Å; L72-Y80 VanDerWaalsContact CD2-CE1 3.45Å; L72-Y80 HydrophobicContact CD2-CE2 4.46Å; L72-Y80 HydrophobicContact CD2-CG 4.17Å; L72-F109 HydrophobicContact CD1-CB 3.95Å; L72-F109 HydrophobicContact CD1-CD1 3.42Å; L72-F109 VanDerWaalsContact CD1-CD1 3.42Å; L72-F109 HydrophobicContact CD1-CD2 4.03Å; L72-F109 HydrophobicContact CD1-CE1 3.87Å; L72-F109 HydrophobicContact CD1-CE2 4.44Å; L72-F109 HydrophobicContact CD1-CG 3.5Å; L72-F109 HydrophobicContact CD1-CZ 4.36Å |
| 73 | T | 50.5 | Low | 74.4 | Confident | 78 Ų | 78 | 70.8 Ų | 70.8 | 48% | 0.479 | 37% | 0.373 | S | S | . | . | trans | -122.8 | 141.2 | -170.2 | -50.6 | 0 | 0 | 0 | 0 | 109.5 | L71 E75 | L71-T73 VanDerWaalsContact CB-OG1 3.29Å; L71-T73 WeakPolarHBondContact CB-OG1 3.48Å; L71-T73 PolarHBondContact O-N 3.34Å; L71-T73 PolarHBondContact O-OG1 3.13Å; T73-E75 PolarHBondContact O-N 3.09Å | ||
| 74 | Q | 50.2 | Low | 74.5 | Confident | 191 Ų | 191 | 67 Ų | 67 | 89% | 0.893 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -1 | -159.7 | -156.1 | 169.3 | 3 | 0 | 0 | 116.2 | N76 | Q74-N76 VanDerWaalsContact C-N 3.3Å; Q74-N76 PolarHBondContact O-N 2.92Å |
| 75 | E | 51 | Low | 74.6 | Confident | 174 Ų | 174 | 67.8 Ų | 67.8 | 81% | 0.813 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -19.6 | -175.9 | -69.6 | -161.5 | 131 | 0 | 0 | 115 | T73 | T73-E75 PolarHBondContact O-N 3.09Š|
| 76 | N | 56.2 | Low | 74.8 | Confident | 69 Ų | 69 | 64.8 Ų | 64.8 | 37% | 0.369 | 34% | 0.338 | S | S | . | . | trans | -155.8 | 79.3 | -172.9 | -120.5 | -114.8 | 0 | 0 | 0 | 113.3 | Q74 E78 K79 Y80 | Q74-N76 VanDerWaalsContact C-N 3.3Å; Q74-N76 PolarHBondContact O-N 2.92Å; N76-E78 VanDerWaalsContact C-N 3.32Å; N76-E78 PolarHBondContact O-N 3.14Å; N76-K79 HydrophobicContact CB-CD 3.85Å; N76-K79 HydrophobicContact CB-CG 4.13Å; N76-K79 PolarHBondContact O-N 3.04Å; N76-K79 WeakPolarHBondContact OD1-CE 3.33Å; N76-Y80 WeakPolarHBondContact O-CD2 3.25Å | ||
| 77 | P | 60.8 | Low | 75 | Confident | 78 Ų | 78 | 65.7 Ų | 65.7 | 51% | 0.506 | 34% | 0.343 | S | S | . | . | G | 310 helix | trans | -63 | -33.7 | -177.5 | 23.9 | -33.5 | 0 | 0 | 0 | 113.5 | K79 Y80 | P77-K79 PolarHBondContact O-N 3.25Å; P77-K79 VanDerWaalsContact O-N 3.16Å; P77-Y80 PolarHBondContact O-N 3.49Å; P77-Y80 VanDerWaalsContact O-N 3.08Å |
| 78 | E | 62.6 | Low | 75.4 | Confident | 165 Ų | 165 | 60.3 Ų | 60.3 | 77% | 0.771 | 32% | 0.317 | S | S | * | . | G | 310 helix | trans | -59.5 | -28.4 | -179 | -64.5 | -164.4 | 146 | 0 | 0 | 114 | N76 Y80 V81 | N76-E78 VanDerWaalsContact C-N 3.32Å; N76-E78 PolarHBondContact O-N 3.14Å; E78-Y80 PolarHBondContact O-N 3.25Å; E78-V81 PolarHBondContact O-N 2.8Å |
| 79 | K | 69.3 | Low | 76 | Confident | 100 Ų | 100 | 65 Ų | 65 | 44% | 0.435 | 34% | 0.335 | S | S | . | . | G | 310 helix | trans | -65.9 | -21.4 | 178.9 | -69.1 | -179 | -176 | 155.9 | 0 | 113 | P69 N76 P77 | P69-K79 HydrophobicContact CG-CB 4.25Å; P69-K79 HydrophobicContact CG-CD 4.37Å; N76-K79 HydrophobicContact CB-CD 3.85Å; N76-K79 HydrophobicContact CB-CG 4.13Å; N76-K79 PolarHBondContact O-N 3.04Å; N76-K79 WeakPolarHBondContact OD1-CE 3.33Å; P77-K79 PolarHBondContact O-N 3.25Å; P77-K79 VanDerWaalsContact O-N 3.16Å |
| 80 | Y | 84.6 | Confident | 77.4 | Confident | 8 Ų | 8 | 62.2 Ų | 62.2 | 3% | 0.031 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -106.1 | 13.1 | -173.3 | -58.2 | -66.1 | 0 | 0 | 0 | 113.1 | L68 P69 L71 L72 N76 P77 E78 L82 L105 N106 | L68-Y80 HydrophobicContact CD2-CD1 4.41Å; P69-Y80 HydrophobicContact CG-CE1 4.07Å; P69-Y80 PolarHBondContact O-OH 3.25Å; L71-Y80 PolarHBondContact O-OH 2.81Å; L72-Y80 HydrophobicContact CD2-CD1 3.59Å; L72-Y80 HydrophobicContact CD2-CE1 3.45Å; L72-Y80 VanDerWaalsContact CD2-CE1 3.45Å; L72-Y80 HydrophobicContact CD2-CE2 4.46Å; L72-Y80 HydrophobicContact CD2-CG 4.17Å; N76-Y80 WeakPolarHBondContact O-CD2 3.25Å; P77-Y80 PolarHBondContact O-N 3.49Å; P77-Y80 VanDerWaalsContact O-N 3.08Å; E78-Y80 PolarHBondContact O-N 3.25Å; Y80-L82 PolarHBondContact O-N 3.1Å; Y80-L105 VanDerWaalsContact O-CB 3.3Å; Y80-L105 WeakPolarHBondContact O-CB 3.39Å; Y80-L105 VanDerWaalsContact O-CG 3.29Å; Y80-L105 WeakPolarHBondContact O-CG 3.45Å; Y80-L105 PolarHBondContact O-N 3.2Å; Y80-N106 WeakPolarHBondContact CB-ND2 3.39Å |
| 81 | V | 92.3 | Very high | 78.7 | Confident | 25 Ų | 25 | 67.6 Ų | 67.6 | 15% | 0.152 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 109.3 | 174.3 | -174.3 | 0 | 0 | 0 | 0 | 109.9 | E78 Y83 A102 | E78-V81 PolarHBondContact O-N 2.8Å; V81-Y83 HydrophobicContact CB-CD2 4.44Å; V81-Y83 HydrophobicContact CB-CE2 3.81Å; V81-Y83 HydrophobicContact CG1-CD2 4.01Å; V81-Y83 HydrophobicContact CG1-CE1 4.23Å; V81-Y83 HydrophobicContact CG1-CE2 3.48Å; V81-Y83 VanDerWaalsContact CG1-CE2 3.48Å; V81-Y83 WeakPolarHBondContact O-CD2 3.22Å; V81-A102 HydrophobicContact CG1-CB 3.83Å |
| 82 | L | 94.8 | Very high | 80.3 | Confident | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 117.9 | 170.4 | 174.3 | 67.9 | 0 | 0 | 0 | 109.3 | V17 I40 L42 Y80 L84 V103 L105 I140 | V17-L82 HydrophobicContact CG1-CD2 3.94Å; V17-L82 HydrophobicContact CG2-CD1 4.16Å; V17-L82 HydrophobicContact CG2-CD2 3.86Å; I40-L82 HydrophobicContact CG2-CD1 3.75Å; L42-L82 HydrophobicContact CD1-CB 4.42Å; Y80-L82 PolarHBondContact O-N 3.1Å; L82-L84 HydrophobicContact CD2-CD1 4.45Å; L82-L84 HydrophobicContact CG-CG 4.4Å; L82-V103 HydrophobicContact CB-CB 4.34Å; L82-V103 PolarHBondContact N-O 2.75Å; L82-V103 PolarHBondContact O-N 2.9Å; L82-L105 HydrophobicContact CB-CD1 4.28Å; L82-L105 HydrophobicContact CB-CD2 4.04Å; L82-L105 HydrophobicContact CB-CG 4.05Å; L82-L105 HydrophobicContact CD2-CD2 4.17Å; L82-I140 HydrophobicContact CD2-CD1 3.92Å; L82-I140 HydrophobicContact CD2-CG1 4.37Å |
| 83 | Y | 96.1 | Very high | 82 | Confident | 74 Ų | 74 | 70.9 Ų | 70.9 | 29% | 0.29 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 125.2 | 174.6 | -70.7 | -88.9 | 0 | 0 | 0 | 110.6 | Q41 V81 A102 | Q41-Y83 PolarHBondContact N-O 2.92Å; Q41-Y83 PolarHBondContact O-N 3.26Å; V81-Y83 HydrophobicContact CB-CD2 4.44Å; V81-Y83 HydrophobicContact CB-CE2 3.81Å; V81-Y83 HydrophobicContact CG1-CD2 4.01Å; V81-Y83 HydrophobicContact CG1-CE1 4.23Å; V81-Y83 HydrophobicContact CG1-CE2 3.48Å; V81-Y83 VanDerWaalsContact CG1-CE2 3.48Å; V81-Y83 WeakPolarHBondContact O-CD2 3.22Å; Y83-A102 HydrophobicContact CD1-CB 3.91Å; Y83-A102 HydrophobicContact CE1-CB 3.68Å |
| 84 | L | 97.6 | Very high | 84.1 | Confident | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 109.8 | 174.3 | -68.2 | 159.2 | 0 | 0 | 0 | 107.6 | V17 V19 T38 I40 L82 Q100 V101 V103 V138 | V17-L84 HydrophobicContact CG1-CD2 4.46Å; V19-L84 HydrophobicContact CG2-CD2 3.73Å; T38-L84 HydrophobicContact CG2-CD2 4.29Å; I40-L84 HydrophobicContact CB-CD2 4.41Å; I40-L84 HydrophobicContact CG1-CD2 4.13Å; I40-L84 HydrophobicContact CG2-CD2 3.98Å; L82-L84 HydrophobicContact CD2-CD1 4.45Å; L82-L84 HydrophobicContact CG-CG 4.4Å; L84-Q100 CarbonylContact O-C 3.56Å; L84-Q100 WeakPolarHBondContact O-CA 3.4Å; L84-V101 HydrophobicContact CB-CG1 3.81Å; L84-V101 HydrophobicContact CD1-CG1 3.85Å; L84-V101 HydrophobicContact CG-CG1 4.43Å; L84-V101 PolarHBondContact N-O 2.84Å; L84-V101 PolarHBondContact O-N 3.4Å; L84-V103 HydrophobicContact CD1-CG2 4.44Å; L84-V138 HydrophobicContact CD1-CB 4.48Å; L84-V138 HydrophobicContact CD1-CG1 4.39Å; L84-V138 HydrophobicContact CD1-CG2 3.82Å; L84-V138 HydrophobicContact CD2-CG2 4.45Å |
| 85 | V | 97.5 | Very high | 86.3 | Confident | 24 Ų | 24 | 68 Ų | 68 | 15% | 0.145 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 110.2 | -173 | -175.9 | 0 | 0 | 0 | 0 | 110.3 | I39 M87 F97 Q100 | I39-V85 HydrophobicContact CB-CB 4.3Å; I39-V85 PolarHBondContact N-O 3.18Å; I39-V85 PolarHBondContact O-N 3.34Å; V85-M87 HydrophobicContact CG1-CG 4.18Å; V85-M87 HydrophobicContact CG1-SD 4.07Å; V85-F97 HydrophobicContact CG1-CD2 4.06Å; V85-F97 HydrophobicContact CG1-CE2 3.98Å; V85-Q100 HydrophobicContact CG2-CB 4.05Å |
| 86 | V | 97.8 | Very high | 88.4 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 127.6 | -179.1 | -166.8 | 0 | 0 | 0 | 0 | 109.7 | L25 T38 W60 L98 G99 L122 I136 | L25-V86 HydrophobicContact CD1-CG1 3.92Å; L25-V86 HydrophobicContact CD2-CG1 4.33Å; T38-V86 HydrophobicContact CG2-CG2 4.49Å; W60-V86 HydrophobicContact CH2-CG1 4.2Å; V86-L98 HydrophobicContact CB-CB 4.24Å; V86-L98 HydrophobicContact CG1-CB 4.11Å; V86-L98 HydrophobicContact CG1-CD1 4.04Å; V86-L98 WeakPolarHBondContact O-CA 3.5Å; V86-L98 WeakPolarHBondContact O-CB 3.31Å; V86-L98 PolarHBondContact O-N 3.43Å; V86-G99 PolarHBondContact N-O 3.11Å; V86-G99 PolarHBondContact O-N 2.95Å; V86-L122 HydrophobicContact CB-CD1 4.4Å; V86-L122 HydrophobicContact CG2-CD1 3.84Å; V86-L122 HydrophobicContact CG2-CD2 3.89Å; V86-I136 HydrophobicContact CG2-CD1 3.99Å |
| 87 | M | 97.4 | Very high | 90.2 | Very high | 23 Ų | 23 | 61.8 Ų | 61.8 | 11% | 0.113 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 141.3 | -171.9 | -67.1 | -65.7 | -62.5 | 0 | 0 | 110.5 | A36 Y37 I39 V85 D95 F97 | A36-M87 WeakPolarHBondContact CA-O 3.36Å; Y37-M87 HydrophobicContact CD1-CB 4.02Å; Y37-M87 WeakPolarHBondContact CD1-O 3.21Å; Y37-M87 HydrophobicContact CE1-CB 3.46Å; Y37-M87 VanDerWaalsContact CE1-CB 3.46Å; Y37-M87 HydrophobicContact CE1-CG 4.49Å; Y37-M87 HydrophobicContact CE2-CB 4.17Å; Y37-M87 PolarHBondContact N-O 2.87Å; Y37-M87 PolarHBondContact O-N 3.09Å; I39-M87 HydrophobicContact CD1-CG 4.17Å; V85-M87 HydrophobicContact CG1-CG 4.18Å; V85-M87 HydrophobicContact CG1-SD 4.07Å; M87-D95 HydrophobicContact CE-CB 3.64Å; M87-D95 WeakPolarHBondContact CE-O 3.44Å; M87-F97 HydrophobicContact SD-CB 4.06Å; M87-F97 HydrophobicContact SD-CD2 4.08Å |
| 88 | H | 97.4 | Very high | 91.9 | Very high | 6 Ų | 6 | 58.1 Ų | 58.1 | 3% | 0.028 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 122.2 | 166.7 | 166.3 | 40.4 | 0 | 0 | 0 | 109.7 | K28 G29 D35 S90 D95 K96 L98 | K28-H88 HydrophobicContact CB-CB 4.32Å; G29-H88 VanDerWaalsContact CA-NE2 3.27Å; G29-H88 WeakPolarHBondContact CA-NE2 3.31Å; G29-H88 PolarHBondContact N-NE2 2.87Å; D35-H88 PolarHBondContact N-ND1 2.6Å; D35-H88 VanDerWaalsContact N-ND1 3.15Å; D35-H88 CarbonylContact O-C 3.04Å; D35-H88 VanDerWaalsContact O-CA 3.24Å; D35-H88 WeakPolarHBondContact O-CA 3.46Å; D35-H88 PolarHBondContact O-ND1 3.01Å; D35-H88 IonicContact OD2-CE1 3.77Å; D35-H88 PolarHBondContact OD2-CE1 3.29Å; H88-S90 PolarHBondContact O-N 3.08Å; H88-D95 CarbonylContact O-C 3.46Å; H88-D95 WeakPolarHBondContact O-CA 3.42Å; H88-D95 WeakPolarHBondContact O-CB 3.22Å; H88-K96 HydrophobicContact CB-CB 4.33Å; H88-K96 PolarHBondContact N-O 3.48Å; H88-K96 PolarHBondContact O-N 3.4Å; H88-L98 HydrophobicContact CB-CD1 3.9Å; H88-L98 HydrophobicContact CB-CD2 4.09Å; H88-L98 HydrophobicContact CB-CG 3.93Å |
| 89 | R | 97.1 | Very high | 93.5 | Very high | 107 Ų | 107 | 50.3 Ų | 50.3 | 40% | 0.404 | 27% | 0.265 | S | S | . | . | trans | -66.9 | 115 | 173.5 | -176.4 | 66.7 | 68.2 | -172.1 | 10.7 | 110.8 | D35 Y37 V51 D95 | D35-R89 HydrophobicContact CB-CB 4.39Å; D35-R89 PolarHBondContact O-N 2.92Å; Y37-R89 HydrophobicContact CD1-CB 4.34Å; Y37-R89 HydrophobicContact CE1-CB 4.4Å; V51-R89 HydrophobicContact CG1-CB 4.14Å; V51-R89 HydrophobicContact CG2-CB 4.41Å; R89-D95 VanDerWaalsContact CA-OD1 3.28Å; R89-D95 WeakPolarHBondContact CA-OD1 3.3Å; R89-D95 IonicContact CZ-OD2 3.54Å; R89-D95 IonicContact NE-OD2 3.93Å; R89-D95 IonicContact NH1-OD2 2.67Å; R89-D95 PolarHBondContact NH1-OD2 2.79Å | ||
| 90 | S | 94.8 | Very high | 94.7 | Very high | 16 Ų | 16 | 46.7 Ų | 46.7 | 11% | 0.112 | 25% | 0.25 | C | S | . | . | trans | -83.4 | 125.6 | 174.7 | -74.7 | 0 | 0 | 0 | 0 | 110.8 | H88 V92 L94 D95 K96 | H88-S90 PolarHBondContact O-N 3.08Å; S90-V92 PolarHBondContact O-N 3.24Å; S90-L94 VanDerWaalsContact CB-O 3.3Å; S90-L94 WeakPolarHBondContact CB-O 3.47Å; S90-L94 PolarHBondContact OG-O 2.98Å; S90-D95 PolarHBondContact N-OD1 3.41Å; S90-K96 VanDerWaalsContact OG-CE 3.26Å; S90-K96 WeakPolarHBondContact OG-CE 3.26Å | ||
| 91 | L | 90 | Very high | 95.2 | Very high | 159 Ų | 159 | 47 Ų | 47 | 83% | 0.832 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -61.5 | -24.6 | 170.5 | -67 | 175.6 | 0 | 0 | 0 | 113.4 | ||
| 92 | V | 91.1 | Very high | 95.4 | Very high | 127 Ų | 127 | 48.1 Ų | 48.1 | 77% | 0.77 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -144.5 | 130.5 | 177 | -177.8 | 0 | 0 | 0 | 0 | 108.7 | S90 | S90-V92 PolarHBondContact O-N 3.24Š|
| 93 | G | 92.2 | Very high | 95.3 | Very high | 65 Ų | 65 | 48.5 Ų | 48.5 | 67% | 0.67 | 27% | 0.267 | S | S | * | . | S | Bend | trans | 84.1 | -160.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 94 | L | 95 | Very high | 95.1 | Very high | 163 Ų | 163 | 47 Ų | 47 | 85% | 0.853 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -82 | 150.6 | -175.9 | -61.6 | 177.4 | 0 | 0 | 0 | 112.9 | S90 | S90-L94 VanDerWaalsContact CB-O 3.3Å; S90-L94 WeakPolarHBondContact CB-O 3.47Å; S90-L94 PolarHBondContact OG-O 2.98Å |
| 95 | D | 96.3 | Very high | 94.7 | Very high | 44 Ų | 44 | 47 Ų | 47 | 24% | 0.235 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -68.3 | 143 | 178.4 | -65.8 | -27.5 | 0 | 0 | 0 | 112.5 | Y37 M87 H88 R89 S90 | Y37-D95 PolarHBondContact OH-OD2 3.34Å; M87-D95 HydrophobicContact CE-CB 3.64Å; M87-D95 WeakPolarHBondContact CE-O 3.44Å; H88-D95 CarbonylContact O-C 3.46Å; H88-D95 WeakPolarHBondContact O-CA 3.42Å; H88-D95 WeakPolarHBondContact O-CB 3.22Å; R89-D95 VanDerWaalsContact CA-OD1 3.28Å; R89-D95 WeakPolarHBondContact CA-OD1 3.3Å; R89-D95 IonicContact CZ-OD2 3.54Å; R89-D95 IonicContact NE-OD2 3.93Å; R89-D95 IonicContact NH1-OD2 2.67Å; R89-D95 PolarHBondContact NH1-OD2 2.79Å; S90-D95 PolarHBondContact N-OD1 3.41Å |
| 96 | K | 94.8 | Very high | 94.2 | Very high | 80 Ų | 80 | 47.3 Ų | 47.3 | 35% | 0.348 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 122.4 | -168.9 | -54.2 | 179.7 | -144.1 | 164.9 | 0 | 110.7 | K28 H88 S90 L98 | K28-K96 HydrophobicContact CB-CB 4.32Å; K28-K96 HydrophobicContact CB-CD 4.28Å; K28-K96 PolarHBondContact O-NZ 2.94Å; H88-K96 HydrophobicContact CB-CB 4.33Å; H88-K96 PolarHBondContact N-O 3.48Å; H88-K96 PolarHBondContact O-N 3.4Å; S90-K96 VanDerWaalsContact OG-CE 3.26Å; S90-K96 WeakPolarHBondContact OG-CE 3.26Å; K96-L98 PolarHBondContact O-N 3.49Å |
| 97 | F | 95.6 | Very high | 93.7 | Very high | 34 Ų | 34 | 51.6 Ų | 51.6 | 15% | 0.149 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 113.6 | -178.6 | 173.7 | -94.9 | 0 | 0 | 0 | 113.1 | V85 M87 G99 Q100 K125 R133 | V85-F97 HydrophobicContact CG1-CD2 4.06Å; V85-F97 HydrophobicContact CG1-CE2 3.98Å; M87-F97 HydrophobicContact SD-CB 4.06Å; M87-F97 HydrophobicContact SD-CD2 4.08Å; F97-G99 WeakPolarHBondContact CE2-O 3.34Å; F97-Q100 HydrophobicContact CE2-CB 3.92Å; F97-Q100 HydrophobicContact CE2-CG 4.18Å; F97-Q100 HydrophobicContact CZ-CB 4.03Å; F97-Q100 HydrophobicContact CZ-CG 3.91Å; F97-K125 HydrophobicContact CD1-CG 4.08Å; F97-K125 HydrophobicContact CD2-CD 4.4Å; F97-K125 VanDerWaalsContact CD2-CE 3.45Å; F97-K125 HydrophobicContact CD2-CG 4.06Å; F97-K125 HydrophobicContact CE1-CG 3.74Å; F97-K125 HydrophobicContact CE2-CD 4.41Å; F97-K125 HydrophobicContact CE2-CG 3.68Å; F97-K125 HydrophobicContact CG-CG 4.23Å; F97-K125 HydrophobicContact CZ-CB 4.47Å; F97-K125 HydrophobicContact CZ-CG 3.52Å; F97-R133 PolarHBondContact O-NH1 3.37Å; F97-R133 VanDerWaalsContact O-NH1 3.16Å |
| 98 | L | 95.4 | Very high | 93.3 | Very high | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.005 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | -43.2 | 178.2 | -65.7 | 175.9 | 0 | 0 | 0 | 111.7 | L25 K26 K28 N34 A36 V86 H88 K96 R133 | L25-L98 HydrophobicContact CD1-CD1 4.12Å; K26-L98 VanDerWaalsContact O-CD2 3.29Å; K26-L98 WeakPolarHBondContact O-CD2 3.48Å; K28-L98 HydrophobicContact CB-CD2 3.92Å; K28-L98 HydrophobicContact CG-CD2 3.54Å; N34-L98 HydrophobicContact CB-CD1 4.13Å; A36-L98 HydrophobicContact CB-CD1 4.08Å; V86-L98 HydrophobicContact CB-CB 4.24Å; V86-L98 HydrophobicContact CG1-CB 4.11Å; V86-L98 HydrophobicContact CG1-CD1 4.04Å; V86-L98 WeakPolarHBondContact O-CA 3.5Å; V86-L98 WeakPolarHBondContact O-CB 3.31Å; V86-L98 PolarHBondContact O-N 3.43Å; H88-L98 HydrophobicContact CB-CD1 3.9Å; H88-L98 HydrophobicContact CB-CD2 4.09Å; H88-L98 HydrophobicContact CB-CG 3.93Å; K96-L98 PolarHBondContact O-N 3.49Å; L98-R133 WeakPolarHBondContact O-CB 3.35Å; L98-R133 VanDerWaalsContact O-CD 3.26Å; L98-R133 WeakPolarHBondContact O-CD 3.48Å; L98-R133 WeakPolarHBondContact O-CG 3.3Å; L98-R133 PolarHBondContact O-NH1 2.91Å |
| 99 | G | 95.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 178.6 | 174 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | V86 F97 E123 | V86-G99 PolarHBondContact N-O 3.11Å; V86-G99 PolarHBondContact O-N 2.95Å; F97-G99 WeakPolarHBondContact CE2-O 3.34Å; G99-E123 WeakPolarHBondContact CA-O 3.36Å |
| 100 | Q | 95.7 | Very high | 92 | Very high | 24 Ų | 24 | 54.4 Ų | 54.4 | 11% | 0.112 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 156.6 | 169.8 | 67.6 | -173.8 | 59.6 | 0 | 0 | 111.7 | L84 V85 F97 E123 | L84-Q100 CarbonylContact O-C 3.56Å; L84-Q100 WeakPolarHBondContact O-CA 3.4Å; V85-Q100 HydrophobicContact CG2-CB 4.05Å; F97-Q100 HydrophobicContact CE2-CB 3.92Å; F97-Q100 HydrophobicContact CE2-CG 4.18Å; F97-Q100 HydrophobicContact CZ-CB 4.03Å; F97-Q100 HydrophobicContact CZ-CG 3.91Å; Q100-E123 PolarHBondContact N-O 3.49Å; Q100-E123 WeakPolarHBondContact O-CA 3.29Å; Q100-E123 WeakPolarHBondContact O-CB 3.39Å; Q100-E123 PolarHBondContact O-N 3.29Å |
| 101 | V | 95.6 | Very high | 91.5 | Very high | 16 Ų | 16 | 57.2 Ų | 57.2 | 10% | 0.097 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 146.8 | 158.5 | 62.1 | 0 | 0 | 0 | 0 | 109.4 | L84 V103 F120 L122 I136 | L84-V101 HydrophobicContact CB-CG1 3.81Å; L84-V101 HydrophobicContact CD1-CG1 3.85Å; L84-V101 HydrophobicContact CG-CG1 4.43Å; L84-V101 PolarHBondContact N-O 2.84Å; L84-V101 PolarHBondContact O-N 3.4Å; V101-V103 HydrophobicContact CG1-CG2 4.28Å; V101-V103 HydrophobicContact CG2-CG2 4.07Å; V101-F120 HydrophobicContact CB-CB 4.48Å; V101-F120 HydrophobicContact CG1-CB 3.96Å; V101-F120 HydrophobicContact CG2-CB 4.22Å; V101-F120 HydrophobicContact CG2-CD1 4.48Å; V101-L122 HydrophobicContact CG1-CD2 4.45Å; V101-I136 HydrophobicContact CG1-CG2 4.05Å |
| 102 | A | 94.6 | Very high | 90.8 | Very high | 47 Ų | 47 | 58.2 Ų | 58.2 | 39% | 0.388 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 124.7 | 173 | 0 | 0 | 0 | 0 | 0 | 108 | V81 Y83 | V81-A102 HydrophobicContact CG1-CB 3.83Å; Y83-A102 HydrophobicContact CD1-CB 3.91Å; Y83-A102 HydrophobicContact CE1-CB 3.68Å |
| 103 | V | 93.3 | Very high | 90 | Very high | 8 Ų | 8 | 60.7 Ų | 60.7 | 5% | 0.048 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 112.5 | -173.8 | -175.4 | 0 | 0 | 0 | 0 | 108.5 | L82 L84 V101 L105 I108 F120 I140 | L82-V103 HydrophobicContact CB-CB 4.34Å; L82-V103 PolarHBondContact N-O 2.75Å; L82-V103 PolarHBondContact O-N 2.9Å; L84-V103 HydrophobicContact CD1-CG2 4.44Å; V101-V103 HydrophobicContact CG1-CG2 4.28Å; V101-V103 HydrophobicContact CG2-CG2 4.07Å; V103-L105 PolarHBondContact O-N 2.77Å; V103-I108 HydrophobicContact CG1-CD1 3.62Å; V103-I108 HydrophobicContact CG1-CG1 3.68Å; V103-F120 HydrophobicContact CG1-CE1 3.95Å; V103-F120 HydrophobicContact CG1-CZ 4.43Å; V103-F120 HydrophobicContact CG2-CD1 3.79Å; V103-F120 HydrophobicContact CG2-CE1 3.74Å; V103-F120 HydrophobicContact CG2-CZ 4.46Å; V103-I140 HydrophobicContact CG1-CD1 3.99Å |
| 104 | N | 91.6 | Very high | 89.4 | Confident | 43 Ų | 43 | 61.4 Ų | 61.4 | 23% | 0.23 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 110.9 | 175.5 | 173.3 | 17.4 | 0 | 0 | 0 | 109.7 | N106 D107 I108 | N104-N106 PolarHBondContact O-N 2.86Å; N104-N106 PolarHBondContact OD1-N 2.78Å; N104-N106 PolarHBondContact OD1-ND2 2.99Å; N104-D107 WeakPolarHBondContact CB-OD2 3.29Å; N104-D107 PolarHBondContact ND2-OD1 3.31Å; N104-D107 PolarHBondContact ND2-OD2 3.38Å; N104-D107 PolarHBondContact O-N 2.99Å; N104-I108 WeakPolarHBondContact O-CG1 3.29Å |
| 105 | L | 90.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -67 | -20.3 | -174.7 | -66.7 | 175.8 | 0 | 0 | 0 | 113.7 | V15 L42 L68 Y80 L82 V103 I108 F109 I140 F142 | V15-L105 HydrophobicContact CB-CD1 4.47Å; V15-L105 HydrophobicContact CG1-CD1 3.91Å; V15-L105 HydrophobicContact CG2-CD1 4.38Å; V15-L105 HydrophobicContact CG2-CD2 4.29Å; L42-L105 HydrophobicContact CD1-CD1 3.71Å; L42-L105 HydrophobicContact CD2-CD1 3.87Å; L42-L105 HydrophobicContact CG-CD1 4.48Å; L68-L105 HydrophobicContact CD2-CD1 4.32Å; Y80-L105 VanDerWaalsContact O-CB 3.3Å; Y80-L105 WeakPolarHBondContact O-CB 3.39Å; Y80-L105 VanDerWaalsContact O-CG 3.29Å; Y80-L105 WeakPolarHBondContact O-CG 3.45Å; Y80-L105 PolarHBondContact O-N 3.2Å; L82-L105 HydrophobicContact CB-CD1 4.28Å; L82-L105 HydrophobicContact CB-CD2 4.04Å; L82-L105 HydrophobicContact CB-CG 4.05Å; L82-L105 HydrophobicContact CD2-CD2 4.17Å; V103-L105 PolarHBondContact O-N 2.77Å; L105-I108 PolarHBondContact O-N 3.24Å; L105-F109 WeakPolarHBondContact O-CB 3.45Å; L105-F109 PolarHBondContact O-N 3.44Å; L105-I140 HydrophobicContact CD2-CD1 4.4Å; L105-I140 HydrophobicContact CD2-CG2 3.92Å; L105-F142 HydrophobicContact CB-CE1 4.25Å; L105-F142 HydrophobicContact CB-CZ 4.08Å; L105-F142 HydrophobicContact CD2-CZ 4.24Å; L105-F142 VanDerWaalsContact O-CZ 3.31Å; L105-F142 WeakPolarHBondContact O-CZ 3.38Å |
| 106 | N | 86.2 | Confident | 88.4 | Confident | 30 Ų | 30 | 66 Ų | 66 | 16% | 0.16 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.9 | -45.7 | 174.3 | -58.4 | -70 | 0 | 0 | 0 | 110.6 | Y80 N104 I108 F109 E110 | Y80-N106 WeakPolarHBondContact CB-ND2 3.39Å; N104-N106 PolarHBondContact O-N 2.86Å; N104-N106 PolarHBondContact OD1-N 2.78Å; N104-N106 PolarHBondContact OD1-ND2 2.99Å; N106-I108 VanDerWaalsContact C-N 3.26Å; N106-I108 PolarHBondContact O-N 3.25Å; N106-F109 WeakPolarHBondContact O-CB 3.44Å; N106-F109 PolarHBondContact O-N 3.48Å; N106-E110 PolarHBondContact O-N 2.85Å |
| 107 | D | 87.6 | Confident | 88.4 | Confident | 91 Ų | 91 | 64.5 Ų | 64.5 | 49% | 0.487 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -64 | -33.6 | 179.5 | -48.5 | -19.1 | 0 | 0 | 0 | 111.2 | N104 F109 D111 | N104-D107 WeakPolarHBondContact CB-OD2 3.29Å; N104-D107 PolarHBondContact ND2-OD1 3.31Å; N104-D107 PolarHBondContact ND2-OD2 3.38Å; N104-D107 PolarHBondContact O-N 2.99Å; D107-F109 VanDerWaalsContact C-N 3.35Å; D107-D111 PolarHBondContact O-N 2.81Å |
| 108 | I | 88.8 | Confident | 88.4 | Confident | 20 Ų | 20 | 64.3 Ų | 64.3 | 10% | 0.103 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -72 | -29.1 | 174.2 | -43.2 | -58.2 | 0 | 0 | 0 | 112.1 | V103 N104 L105 N106 I140 F142 | V103-I108 HydrophobicContact CG1-CD1 3.62Å; V103-I108 HydrophobicContact CG1-CG1 3.68Å; N104-I108 WeakPolarHBondContact O-CG1 3.29Å; L105-I108 PolarHBondContact O-N 3.24Å; N106-I108 VanDerWaalsContact C-N 3.26Å; N106-I108 PolarHBondContact O-N 3.25Å; I108-I140 HydrophobicContact CG1-CD1 4.46Å; I108-I140 HydrophobicContact CG2-CB 4.38Å; I108-I140 HydrophobicContact CG2-CG2 4.2Å; I108-F142 HydrophobicContact CB-CE2 4.03Å; I108-F142 HydrophobicContact CB-CZ 4.18Å; I108-F142 HydrophobicContact CG2-CE2 3.97Å; I108-F142 HydrophobicContact CG2-CZ 4.49Å |
| 109 | F | 84.8 | Confident | 88.5 | Confident | 28 Ų | 28 | 68.4 Ų | 68.4 | 12% | 0.123 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -82.7 | -34 | -178.9 | 176.4 | -109.1 | 0 | 0 | 0 | 112.7 | W10 P12 L72 L105 N106 D107 F142 | W10-F109 HydrophobicContact CE3-CE2 4.07Å; W10-F109 AromaticContact CZ3-CE2 3.92Å; W10-F109 HydrophobicContact CZ3-CE2 3.92Å; P12-F109 VanDerWaalsContact CD-CE2 3.46Å; P12-F109 HydrophobicContact CG-CD2 4.03Å; P12-F109 HydrophobicContact CG-CE2 3.85Å; P12-F109 HydrophobicContact CG-CZ 4.41Å; L72-F109 HydrophobicContact CD1-CB 3.95Å; L72-F109 HydrophobicContact CD1-CD1 3.42Å; L72-F109 VanDerWaalsContact CD1-CD1 3.42Å; L72-F109 HydrophobicContact CD1-CD2 4.03Å; L72-F109 HydrophobicContact CD1-CE1 3.87Å; L72-F109 HydrophobicContact CD1-CE2 4.44Å; L72-F109 HydrophobicContact CD1-CG 3.5Å; L72-F109 HydrophobicContact CD1-CZ 4.36Å; L105-F109 WeakPolarHBondContact O-CB 3.45Å; L105-F109 PolarHBondContact O-N 3.44Å; N106-F109 WeakPolarHBondContact O-CB 3.44Å; N106-F109 PolarHBondContact O-N 3.48Å; D107-F109 VanDerWaalsContact C-N 3.35Å; F109-F142 HydrophobicContact CB-CD2 4.29Å; F109-F142 HydrophobicContact CB-CE1 4.35Å; F109-F142 HydrophobicContact CB-CE2 3.75Å; F109-F142 HydrophobicContact CB-CZ 3.79Å; F109-F142 HydrophobicContact CD2-CD1 4.45Å; F109-F142 AromaticContact CD2-CD2 4Å; F109-F142 HydrophobicContact CD2-CD2 4Å; F109-F142 HydrophobicContact CD2-CE2 4.32Å; F109-F142 HydrophobicContact CD2-CG 4.08Å |
| 110 | E | 83.3 | Confident | 88.5 | Confident | 147 Ų | 147 | 69.5 Ų | 69.5 | 69% | 0.687 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -76.5 | -37 | 177.2 | -67.2 | -169.8 | 170.1 | 0 | 0 | 112.3 | N106 K112 | N106-E110 PolarHBondContact O-N 2.85Å; E110-K112 VanDerWaalsContact C-N 3.31Å; E110-K112 PolarHBondContact O-N 2.93Å |
| 111 | D | 84.1 | Confident | 88.5 | Confident | 75 Ų | 75 | 72 Ų | 72 | 40% | 0.401 | 35% | 0.346 | S | S | . | . | trans | -75.2 | 80.1 | 173 | -174 | 2.6 | 0 | 0 | 0 | 112.2 | D107 Q113 R114 | D107-D111 PolarHBondContact O-N 2.81Å; D111-Q113 PolarHBondContact O-N 3.23Å; D111-Q113 PolarHBondContact OD1-N 3.19Å; D111-Q113 VanDerWaalsContact OD1-N 3.1Å; D111-R114 HydrophobicContact CB-CB 4.16Å; D111-R114 VanDerWaalsContact O-CB 3.24Å; D111-R114 WeakPolarHBondContact O-CB 3.43Å; D111-R114 PolarHBondContact O-N 2.74Å; D111-R114 PolarHBondContact OD1-N 3.18Å; D111-R114 WeakPolarHBondContact OD2-CB 3.42Å | ||
| 112 | K | 75.6 | Confident | 88.5 | Confident | 179 Ų | 179 | 71.6 Ų | 71.6 | 78% | 0.778 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -11.2 | 175.9 | -64.8 | -175.2 | 179.3 | -176.8 | 0 | 114.7 | E110 | E110-K112 VanDerWaalsContact C-N 3.31Å; E110-K112 PolarHBondContact O-N 2.93Å |
| 113 | Q | 74.1 | Confident | 88.4 | Confident | 180 Ų | 180 | 74.4 Ų | 74.4 | 84% | 0.841 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.1 | -10 | 177.5 | -62.6 | -61.2 | -25.6 | 0 | 0 | 112 | D111 | D111-Q113 PolarHBondContact O-N 3.23Å; D111-Q113 PolarHBondContact OD1-N 3.19Å; D111-Q113 VanDerWaalsContact OD1-N 3.1Å |
| 114 | R | 80.2 | Confident | 88.2 | Confident | 80 Ų | 80 | 74.7 Ų | 74.7 | 30% | 0.302 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -57.3 | 143.5 | 175.8 | -154.4 | 177.1 | 175.3 | 131.8 | 10.1 | 112.4 | D111 K116 E118 | D111-R114 HydrophobicContact CB-CB 4.16Å; D111-R114 VanDerWaalsContact O-CB 3.24Å; D111-R114 WeakPolarHBondContact O-CB 3.43Å; D111-R114 PolarHBondContact O-N 2.74Å; D111-R114 PolarHBondContact OD1-N 3.18Å; D111-R114 WeakPolarHBondContact OD2-CB 3.42Å; R114-K116 PolarHBondContact O-N 3.25Å; R114-E118 IonicContact CZ-OE2 2.78Å; R114-E118 IonicContact NE-OE2 2.59Å; R114-E118 PolarHBondContact NE-OE2 2.84Å; R114-E118 IonicContact NH2-OE2 3.17Å; R114-E118 PolarHBondContact NH2-OE2 2.99Å |
| 115 | R | 82.6 | Confident | 87.8 | Confident | 175 Ų | 175 | 78 Ų | 78 | 66% | 0.66 | 36% | 0.363 | S | S | * | . | trans | -69.3 | 132 | 165.5 | -62.2 | 173.7 | -62.3 | -164.7 | -2.2 | 108.9 | T117 E118 | R115-T117 PolarHBondContact O-N 3.29Å; R115-E118 HydrophobicContact CB-CG 3.9Å; R115-E118 IonicContact CZ-OE1 2.75Å; R115-E118 VanDerWaalsContact CZ-OE1 3.25Å; R115-E118 IonicContact NE-OE1 2.77Å; R115-E118 PolarHBondContact NE-OE1 2.95Å; R115-E118 IonicContact NH2-OE1 2.86Å; R115-E118 PolarHBondContact NH2-OE1 2.76Å; R115-E118 WeakPolarHBondContact O-CG 3.23Å | ||
| 116 | K | 87.3 | Confident | 87 | Confident | 127 Ų | 127 | 85.9 Ų | 85.9 | 55% | 0.552 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -58.2 | -30 | 175 | -63.3 | -177.8 | 177 | -178.9 | 0 | 113.5 | R114 N139 I140 | R114-K116 PolarHBondContact O-N 3.25Å; K116-N139 CarbonylContact O-C 3.58Å; K116-N139 VanDerWaalsContact O-CA 3.23Å; K116-N139 WeakPolarHBondContact O-CA 3.29Å; K116-I140 PolarHBondContact O-N 2.92Å |
| 117 | T | 95.5 | Very high | 86.1 | Confident | 49 Ų | 49 | 88.8 Ų | 88.8 | 30% | 0.301 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 114 | -177.4 | -50.4 | 0 | 0 | 0 | 0 | 111.4 | L20 R115 K137 V138 N139 | L20-T117 HydrophobicContact CD1-CG2 3.42Å; L20-T117 VanDerWaalsContact CD1-CG2 3.42Å; R115-T117 PolarHBondContact O-N 3.29Å; T117-K137 HydrophobicContact CG2-CD 4.46Å; T117-K137 HydrophobicContact CG2-CG 4.23Å; T117-V138 WeakPolarHBondContact CA-O 3.47Å; T117-N139 PolarHBondContact OG1-ND2 2.87Å |
| 118 | E | 95.1 | Very high | 85.4 | Confident | 31 Ų | 31 | 91.9 Ų | 91.9 | 15% | 0.145 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 169.3 | -177.6 | -65.2 | -160.8 | 132 | 0 | 0 | 113.8 | R114 R115 F120 K137 V138 | R114-E118 IonicContact CZ-OE2 2.78Å; R114-E118 IonicContact NE-OE2 2.59Å; R114-E118 PolarHBondContact NE-OE2 2.84Å; R114-E118 IonicContact NH2-OE2 3.17Å; R114-E118 PolarHBondContact NH2-OE2 2.99Å; R115-E118 HydrophobicContact CB-CG 3.9Å; R115-E118 IonicContact CZ-OE1 2.75Å; R115-E118 VanDerWaalsContact CZ-OE1 3.25Å; R115-E118 IonicContact NE-OE1 2.77Å; R115-E118 PolarHBondContact NE-OE1 2.95Å; R115-E118 IonicContact NH2-OE1 2.86Å; R115-E118 PolarHBondContact NH2-OE1 2.76Å; R115-E118 WeakPolarHBondContact O-CG 3.23Å; E118-F120 HydrophobicContact CB-CE2 4.35Å; E118-K137 CarbonylContact O-C 3.52Å; E118-K137 VanDerWaalsContact O-CA 3.29Å; E118-K137 WeakPolarHBondContact O-CA 3.29Å; E118-V138 PolarHBondContact N-O 2.88Å; E118-V138 PolarHBondContact O-N 3.45Å |
| 119 | W | 97.1 | Very high | 84.4 | Confident | 87 Ų | 87 | 100.9 Ų | 100.9 | 33% | 0.33 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 137.8 | 171.6 | -71.2 | 103.7 | 0 | 0 | 0 | 110.1 | Q21 K23 E135 I136 K137 | Q21-W119 HydrophobicContact CG-CH2 3.88Å; Q21-W119 HydrophobicContact CG-CZ3 4.44Å; Q21-W119 VanDerWaalsContact NE2-CH2 3.26Å; Q21-W119 VanDerWaalsContact NE2-CZ2 3.25Å; K23-W119 HydrophobicContact CB-CH2 4Å; K23-W119 HydrophobicContact CB-CZ3 4.19Å; K23-W119 HydrophobicContact CD-CE3 4.46Å; K23-W119 HydrophobicContact CD-CH2 3.4Å; K23-W119 HydrophobicContact CD-CZ2 3.71Å; K23-W119 HydrophobicContact CD-CZ3 3.83Å; K23-W119 VanDerWaalsContact CE-CZ2 3.49Å; K23-W119 HydrophobicContact CG-CE3 4.36Å; K23-W119 HydrophobicContact CG-CH2 3.59Å; K23-W119 HydrophobicContact CG-CZ2 4.39Å; K23-W119 HydrophobicContact CG-CZ3 3.58Å; W119-E135 HydrophobicContact CE3-CB 3.77Å; W119-E135 HydrophobicContact CZ3-CB 4.3Å; W119-I136 CarbonylContact C-O 3.42Å; W119-I136 WeakPolarHBondContact CA-O 3.39Å; W119-K137 HydrophobicContact CD2-CB 3.76Å; W119-K137 HydrophobicContact CD2-CD 4.46Å; W119-K137 HydrophobicContact CD2-CG 4.05Å; W119-K137 HydrophobicContact CE3-CB 3.62Å; W119-K137 HydrophobicContact CE3-CG 4.42Å; W119-K137 HydrophobicContact CG-CG 4.41Å; W119-K137 HydrophobicContact CH2-CB 3.95Å; W119-K137 HydrophobicContact CZ2-CB 4.09Å; W119-K137 HydrophobicContact CZ2-CD 4.02Å; W119-K137 HydrophobicContact CZ2-CG 4.4Å; W119-K137 HydrophobicContact CZ3-CB 3.71Å |
| 120 | F | 95.7 | Very high | 83.7 | Confident | 23 Ų | 23 | 105.6 Ų | 105.6 | 10% | 0.101 | 51% | 0.509 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 124.5 | 174.9 | -62.6 | -97.5 | 0 | 0 | 0 | 108.4 | V101 V103 E118 E135 I136 V138 I140 | V101-F120 HydrophobicContact CB-CB 4.48Å; V101-F120 HydrophobicContact CG1-CB 3.96Å; V101-F120 HydrophobicContact CG2-CB 4.22Å; V101-F120 HydrophobicContact CG2-CD1 4.48Å; V103-F120 HydrophobicContact CG1-CE1 3.95Å; V103-F120 HydrophobicContact CG1-CZ 4.43Å; V103-F120 HydrophobicContact CG2-CD1 3.79Å; V103-F120 HydrophobicContact CG2-CE1 3.74Å; V103-F120 HydrophobicContact CG2-CZ 4.46Å; E118-F120 HydrophobicContact CB-CE2 4.35Å; F120-E135 CarbonylContact O-C 3.6Å; F120-E135 WeakPolarHBondContact O-CA 3.37Å; F120-I136 HydrophobicContact CB-CG2 4.06Å; F120-I136 PolarHBondContact N-O 2.87Å; F120-I136 PolarHBondContact O-N 3.05Å; F120-V138 HydrophobicContact CD2-CB 4.32Å; F120-V138 HydrophobicContact CE2-CB 4.18Å; F120-I140 HydrophobicContact CZ-CD1 4.09Å |
| 121 | S | 96.1 | Very high | 83.6 | Confident | 75 Ų | 75 | 104.7 Ų | 104.7 | 52% | 0.524 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 140.2 | 179.1 | -41.6 | 0 | 0 | 0 | 0 | 110.8 | E135 | S121-E135 PolarHBondContact OG-OE1 2.59Å |
| 122 | L | 95.8 | Very high | 83.6 | Confident | 8 Ų | 8 | 107.6 Ų | 107.6 | 4% | 0.042 | 52% | 0.519 | C | S | . | . | P | Polyproline II helix | trans | -90.8 | 125.3 | -174 | -66.6 | 170.6 | 0 | 0 | 0 | 111.8 | L25 V86 V101 R133 G134 I136 | L25-L122 HydrophobicContact CD2-CD1 3.44Å; L25-L122 VanDerWaalsContact CD2-CD1 3.44Å; V86-L122 HydrophobicContact CB-CD1 4.4Å; V86-L122 HydrophobicContact CG2-CD1 3.84Å; V86-L122 HydrophobicContact CG2-CD2 3.89Å; V101-L122 HydrophobicContact CG1-CD2 4.45Å; L122-R133 HydrophobicContact CB-CB 4.11Å; L122-G134 WeakPolarHBondContact CB-O 3.46Å; L122-G134 PolarHBondContact N-O 2.83Å; L122-I136 HydrophobicContact CD2-CB 4.15Å; L122-I136 HydrophobicContact CD2-CG2 3.77Å; L122-I136 HydrophobicContact CG-CB 4.46Å; L122-I136 HydrophobicContact CG-CG2 4.4Å |
| 123 | E | 92.3 | Very high | 84.4 | Confident | 107 Ų | 107 | 100.9 Ų | 100.9 | 50% | 0.5 | 49% | 0.489 | S | S | . | . | B | Isolated β-bridge | trans | -92.3 | 171 | 179.3 | -56.7 | -162.1 | 134.1 | 0 | 0 | 113.2 | G99 Q100 R133 | G99-E123 WeakPolarHBondContact CA-O 3.36Å; Q100-E123 PolarHBondContact N-O 3.49Å; Q100-E123 WeakPolarHBondContact O-CA 3.29Å; Q100-E123 WeakPolarHBondContact O-CB 3.39Å; Q100-E123 PolarHBondContact O-N 3.29Å; E123-R133 WeakPolarHBondContact O-CD 3.26Å |
| 124 | S | 89.3 | Confident | 85.4 | Confident | 14 Ų | 14 | 92.5 Ų | 92.5 | 10% | 0.098 | 45% | 0.45 | C | S | . | . | P | Polyproline II helix | trans | -82 | 157.9 | 164.4 | -168.7 | 0 | 0 | 0 | 0 | 110.7 | Q126 R133 | S124-Q126 PolarHBondContact O-N 2.93Å; S124-R133 PolarHBondContact OG-NH2 2.93Å |
| 125 | K | 82.3 | Confident | 86.2 | Confident | 113 Ų | 113 | 91 Ų | 91 | 49% | 0.491 | 45% | 0.447 | S | S | . | . | S | Bend | trans | -48.9 | 138.9 | 163.9 | -59.5 | -158.7 | 172.7 | -166.9 | 0 | 110.1 | F97 | F97-K125 HydrophobicContact CD1-CG 4.08Å; F97-K125 HydrophobicContact CD2-CD 4.4Å; F97-K125 VanDerWaalsContact CD2-CE 3.45Å; F97-K125 HydrophobicContact CD2-CG 4.06Å; F97-K125 HydrophobicContact CE1-CG 3.74Å; F97-K125 HydrophobicContact CE2-CD 4.41Å; F97-K125 HydrophobicContact CE2-CG 3.68Å; F97-K125 HydrophobicContact CG-CG 4.23Å; F97-K125 HydrophobicContact CZ-CB 4.47Å; F97-K125 HydrophobicContact CZ-CG 3.52Å |
| 126 | Q | 72.9 | Confident | 87 | Confident | 165 Ų | 165 | 82.7 Ų | 82.7 | 77% | 0.771 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -45.6 | 148.1 | -178.4 | -70.2 | 172.5 | -23.5 | 0 | 0 | 112.9 | S124 | S124-Q126 PolarHBondContact O-N 2.93Š|
| 127 | G | 67.6 | Low | 87.5 | Confident | 90 Ų | 90 | 79.8 Ų | 79.8 | 93% | 0.928 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.6 | 15.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 128 | K | 72.4 | Confident | 87.6 | Confident | 157 Ų | 157 | 77.4 Ų | 77.4 | 68% | 0.683 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -127.3 | 143.7 | 174.3 | -60.5 | -165.1 | 178.4 | -167 | 0 | 110.8 | T130 | K128-T130 PolarHBondContact O-N 3.3Š|
| 129 | R | 67.6 | Low | 87.7 | Confident | 209 Ų | 209 | 77.2 Ų | 77.2 | 79% | 0.789 | 39% | 0.389 | S | S | * | . | trans | -47.2 | 131.5 | -179.2 | -51.4 | -154.6 | -52.4 | -137.4 | 11.1 | 110.8 | K131 | R129-K131 PolarHBondContact O-N 3.29Š| ||
| 130 | T | 71.4 | Confident | 87.6 | Confident | 126 Ų | 126 | 73.5 Ų | 73.5 | 77% | 0.773 | 38% | 0.375 | S | S | * | . | trans | -51.4 | 131.8 | 172.8 | -41.7 | 0 | 0 | 0 | 0 | 109.5 | K128 | K128-T130 PolarHBondContact O-N 3.3Š| ||
| 131 | K | 80.5 | Confident | 87.5 | Confident | 128 Ų | 128 | 75.1 Ų | 75.1 | 56% | 0.557 | 38% | 0.383 | S | S | * | . | trans | -147.8 | 131.9 | -179.5 | -74.2 | -178.5 | -177.8 | -174.2 | 0 | 107.3 | R129 R133 | R129-K131 PolarHBondContact O-N 3.29Å; K131-R133 PolarHBondContact O-N 2.99Å | ||
| 132 | D | 85.2 | Confident | 87.2 | Confident | 137 Ų | 137 | 73.2 Ų | 73.2 | 73% | 0.733 | 37% | 0.365 | S | S | * | . | trans | -55.3 | 134.3 | 168.2 | -177.8 | 15.6 | 0 | 0 | 0 | 110.5 | G134 | D132-G134 PolarHBondContact OD1-N 2.82Š| ||
| 133 | R | 92.3 | Very high | 86.8 | Confident | 37 Ų | 37 | 75.6 Ų | 75.6 | 14% | 0.14 | 38% | 0.377 | C | S | . | . | trans | -139.1 | 10.3 | -177.7 | -74.2 | 167.7 | 170.7 | -87.2 | 12.1 | 111.6 | L25 F97 L98 L122 E123 S124 K131 | L25-R133 WeakPolarHBondContact CD2-O 3.29Å; F97-R133 PolarHBondContact O-NH1 3.37Å; F97-R133 VanDerWaalsContact O-NH1 3.16Å; L98-R133 WeakPolarHBondContact O-CB 3.35Å; L98-R133 VanDerWaalsContact O-CD 3.26Å; L98-R133 WeakPolarHBondContact O-CD 3.48Å; L98-R133 WeakPolarHBondContact O-CG 3.3Å; L98-R133 PolarHBondContact O-NH1 2.91Å; L122-R133 HydrophobicContact CB-CB 4.11Å; E123-R133 WeakPolarHBondContact O-CD 3.26Å; S124-R133 PolarHBondContact OG-NH2 2.93Å; K131-R133 PolarHBondContact O-N 2.99Å | ||
| 134 | G | 95.1 | Very high | 86.2 | Confident | 4 Ų | 4 | 75 Ų | 75 | 4% | 0.041 | 37% | 0.37 | C | S | . | . | trans | 89.6 | -169.5 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | K23 G24 L122 D132 | K23-G134 CarbonylContact O-C 3.6Å; K23-G134 WeakPolarHBondContact O-CA 3.46Å; G24-G134 WeakPolarHBondContact O-CA 3.42Å; G24-G134 PolarHBondContact O-N 3.2Å; L122-G134 WeakPolarHBondContact CB-O 3.46Å; L122-G134 PolarHBondContact N-O 2.83Å; D132-G134 PolarHBondContact OD1-N 2.82Å | ||
| 135 | E | 97.3 | Very high | 85.2 | Confident | 50 Ų | 50 | 76.7 Ų | 76.7 | 23% | 0.234 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 151.6 | -174.9 | -50.4 | -167.9 | 103.8 | 0 | 0 | 111.2 | A22 K23 W119 F120 S121 | A22-E135 CarbonylContact C-O 3.54Å; A22-E135 WeakPolarHBondContact CA-O 3.42Å; A22-E135 VanDerWaalsContact CB-O 3.28Å; A22-E135 WeakPolarHBondContact CB-O 3.4Å; K23-E135 WeakPolarHBondContact CE-OE2 3.46Å; K23-E135 HydrophobicContact CG-CB 4.49Å; K23-E135 PolarHBondContact N-O 3.35Å; K23-E135 IonicContact NZ-OE2 3.4Å; K23-E135 PolarHBondContact NZ-OE2 2.93Å; K23-E135 PolarHBondContact O-N 2.89Å; W119-E135 HydrophobicContact CE3-CB 3.77Å; W119-E135 HydrophobicContact CZ3-CB 4.3Å; F120-E135 CarbonylContact O-C 3.6Å; F120-E135 WeakPolarHBondContact O-CA 3.37Å; S121-E135 PolarHBondContact OG-OE1 2.59Å |
| 136 | I | 97.9 | Very high | 84.2 | Confident | 0 Ų | 0 | 77.7 Ų | 77.7 | 0% | 0 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 132.9 | 176.6 | -167.2 | 173.5 | 0 | 0 | 0 | 110.8 | V19 A22 T38 V86 V101 W119 F120 L122 V138 | V19-I136 HydrophobicContact CG1-CD1 3.92Å; V19-I136 HydrophobicContact CG1-CG1 4.39Å; A22-I136 HydrophobicContact CB-CB 4.34Å; A22-I136 HydrophobicContact CB-CG1 4.3Å; T38-I136 HydrophobicContact CG2-CD1 3.82Å; V86-I136 HydrophobicContact CG2-CD1 3.99Å; V101-I136 HydrophobicContact CG1-CG2 4.05Å; W119-I136 CarbonylContact C-O 3.42Å; W119-I136 WeakPolarHBondContact CA-O 3.39Å; F120-I136 HydrophobicContact CB-CG2 4.06Å; F120-I136 PolarHBondContact N-O 2.87Å; F120-I136 PolarHBondContact O-N 3.05Å; L122-I136 HydrophobicContact CD2-CB 4.15Å; L122-I136 HydrophobicContact CD2-CG2 3.77Å; L122-I136 HydrophobicContact CG-CB 4.46Å; L122-I136 HydrophobicContact CG-CG2 4.4Å; I136-V138 HydrophobicContact CD1-CG2 4.17Å; I136-V138 HydrophobicContact CG1-CG2 3.9Å; I136-V138 HydrophobicContact CG2-CG2 4.27Å |
| 137 | K | 98.2 | Very high | 83.3 | Confident | 65 Ų | 65 | 77.5 Ų | 77.5 | 28% | 0.283 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 120.5 | 176.9 | -162.8 | -176.7 | -179.7 | -179.6 | 0 | 109.8 | L20 Q21 T117 E118 W119 | L20-K137 HydrophobicContact CB-CB 4.46Å; L20-K137 WeakPolarHBondContact CB-O 3.35Å; L20-K137 HydrophobicContact CD1-CD 4.16Å; L20-K137 HydrophobicContact CD1-CG 4.24Å; L20-K137 PolarHBondContact N-O 2.91Å; Q21-K137 HydrophobicContact CG-CB 3.82Å; Q21-K137 HydrophobicContact CG-CD 4.3Å; Q21-K137 PolarHBondContact O-N 3Å; T117-K137 HydrophobicContact CG2-CD 4.46Å; T117-K137 HydrophobicContact CG2-CG 4.23Å; E118-K137 CarbonylContact O-C 3.52Å; E118-K137 VanDerWaalsContact O-CA 3.29Å; E118-K137 WeakPolarHBondContact O-CA 3.29Å; W119-K137 HydrophobicContact CD2-CB 3.76Å; W119-K137 HydrophobicContact CD2-CD 4.46Å; W119-K137 HydrophobicContact CD2-CG 4.05Å; W119-K137 HydrophobicContact CE3-CB 3.62Å; W119-K137 HydrophobicContact CE3-CG 4.42Å; W119-K137 HydrophobicContact CG-CG 4.41Å; W119-K137 HydrophobicContact CH2-CB 3.95Å; W119-K137 HydrophobicContact CZ2-CB 4.09Å; W119-K137 HydrophobicContact CZ2-CD 4.02Å; W119-K137 HydrophobicContact CZ2-CG 4.4Å; W119-K137 HydrophobicContact CZ3-CB 3.71Å |
| 138 | V | 97.9 | Very high | 82.6 | Confident | 0 Ų | 0 | 75.7 Ų | 75.7 | 0% | 0 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 140.4 | -173.8 | -177.1 | 0 | 0 | 0 | 0 | 110.1 | V17 T18 V19 L84 T117 E118 F120 I136 I140 | V17-V138 HydrophobicContact CG1-CG1 3.69Å; T18-V138 CarbonylContact O-C 3.49Å; T18-V138 WeakPolarHBondContact O-CA 3.31Å; V19-V138 HydrophobicContact CG2-CG1 4.48Å; V19-V138 HydrophobicContact CG2-CG2 4.14Å; L84-V138 HydrophobicContact CD1-CB 4.48Å; L84-V138 HydrophobicContact CD1-CG1 4.39Å; L84-V138 HydrophobicContact CD1-CG2 3.82Å; L84-V138 HydrophobicContact CD2-CG2 4.45Å; T117-V138 WeakPolarHBondContact CA-O 3.47Å; E118-V138 PolarHBondContact N-O 2.88Å; E118-V138 PolarHBondContact O-N 3.45Å; F120-V138 HydrophobicContact CD2-CB 4.32Å; F120-V138 HydrophobicContact CE2-CB 4.18Å; I136-V138 HydrophobicContact CD1-CG2 4.17Å; I136-V138 HydrophobicContact CG1-CG2 3.9Å; I136-V138 HydrophobicContact CG2-CG2 4.27Å; V138-I140 HydrophobicContact CG1-CG1 4.06Å |
| 139 | N | 96.6 | Very high | 81.3 | Confident | 27 Ų | 27 | 70 Ų | 70 | 14% | 0.144 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 132.6 | 161.9 | -174.1 | -69.8 | 0 | 0 | 0 | 109.3 | V17 T18 K116 T117 | V17-N139 WeakPolarHBondContact CA-O 3.1Å; T18-N139 PolarHBondContact N-O 2.85Å; T18-N139 PolarHBondContact O-N 3Å; K116-N139 CarbonylContact O-C 3.58Å; K116-N139 VanDerWaalsContact O-CA 3.23Å; K116-N139 WeakPolarHBondContact O-CA 3.29Å; T117-N139 PolarHBondContact OG1-ND2 2.87Å |
| 140 | I | 95.4 | Very high | 80.6 | Confident | 8 Ų | 8 | 63.6 Ų | 63.6 | 4% | 0.041 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 119.2 | 170.8 | -55.6 | 177.7 | 0 | 0 | 0 | 107.4 | V15 L82 V103 L105 I108 K116 F120 V138 F142 | V15-I140 HydrophobicContact CG2-CG2 3.72Å; L82-I140 HydrophobicContact CD2-CD1 3.92Å; L82-I140 HydrophobicContact CD2-CG1 4.37Å; V103-I140 HydrophobicContact CG1-CD1 3.99Å; L105-I140 HydrophobicContact CD2-CD1 4.4Å; L105-I140 HydrophobicContact CD2-CG2 3.92Å; I108-I140 HydrophobicContact CG1-CD1 4.46Å; I108-I140 HydrophobicContact CG2-CB 4.38Å; I108-I140 HydrophobicContact CG2-CG2 4.2Å; K116-I140 PolarHBondContact O-N 2.92Å; F120-I140 HydrophobicContact CZ-CD1 4.09Å; V138-I140 HydrophobicContact CG1-CG1 4.06Å; I140-F142 HydrophobicContact CG2-CE2 4.48Å; I140-F142 HydrophobicContact CG2-CZ 4.46Å |
| 141 | Q | 92.8 | Very high | 79.4 | Confident | 57 Ų | 57 | 64.2 Ų | 64.2 | 27% | 0.266 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 122.8 | 178.4 | 173.8 | 161.1 | -73.4 | 0 | 0 | 111 | Q16 M143 | Q16-Q141 HydrophobicContact CB-CB 4.26Å; Q16-Q141 WeakPolarHBondContact CB-O 3.25Å; Q16-Q141 PolarHBondContact N-O 2.81Å; Q16-Q141 PolarHBondContact O-N 2.82Å; Q16-Q141 VanDerWaalsContact OE1-NE2 3.07Å; Q141-M143 HydrophobicContact CG-CG 4.46Å |
| 142 | F | 90.1 | Very high | 78 | Confident | 35 Ų | 35 | 65.3 Ų | 65.3 | 15% | 0.154 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 140.3 | 171.9 | -67.4 | -72.4 | 0 | 0 | 0 | 111.2 | W10 P12 V15 L68 L105 I108 F109 I140 | W10-F142 HydrophobicContact CH2-CB 4.04Å; W10-F142 HydrophobicContact CZ3-CB 4.15Å; P12-F142 HydrophobicContact CB-CB 3.84Å; P12-F142 HydrophobicContact CB-CD1 4.09Å; P12-F142 HydrophobicContact CB-CG 4.37Å; P12-F142 HydrophobicContact CG-CB 4.2Å; P12-F142 HydrophobicContact CG-CD1 3.84Å; P12-F142 HydrophobicContact CG-CG 4.26Å; V15-F142 HydrophobicContact CB-CD1 4.25Å; V15-F142 HydrophobicContact CB-CE1 4.27Å; V15-F142 HydrophobicContact CG2-CD1 4.14Å; V15-F142 HydrophobicContact CG2-CE1 3.99Å; L68-F142 HydrophobicContact CD1-CD1 4.25Å; L105-F142 HydrophobicContact CB-CE1 4.25Å; L105-F142 HydrophobicContact CB-CZ 4.08Å; L105-F142 HydrophobicContact CD2-CZ 4.24Å; L105-F142 VanDerWaalsContact O-CZ 3.31Å; L105-F142 WeakPolarHBondContact O-CZ 3.38Å; I108-F142 HydrophobicContact CB-CE2 4.03Å; I108-F142 HydrophobicContact CB-CZ 4.18Å; I108-F142 HydrophobicContact CG2-CE2 3.97Å; I108-F142 HydrophobicContact CG2-CZ 4.49Å; F109-F142 HydrophobicContact CB-CD2 4.29Å; F109-F142 HydrophobicContact CB-CE1 4.35Å; F109-F142 HydrophobicContact CB-CE2 3.75Å; F109-F142 HydrophobicContact CB-CZ 3.79Å; F109-F142 HydrophobicContact CD2-CD1 4.45Å; F109-F142 AromaticContact CD2-CD2 4Å; F109-F142 HydrophobicContact CD2-CD2 4Å; F109-F142 HydrophobicContact CD2-CE2 4.32Å; F109-F142 HydrophobicContact CD2-CG 4.08Å; I140-F142 HydrophobicContact CG2-CE2 4.48Å; I140-F142 HydrophobicContact CG2-CZ 4.46Å |
| 143 | M | 87.3 | Confident | 76.5 | Confident | 59 Ų | 59 | 65.2 Ų | 65.2 | 29% | 0.291 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 155.6 | 179.9 | -61.9 | -166.6 | -60.6 | 0 | 0 | 111.3 | P12 T13 H14 Q16 Q141 | P12-M143 CarbonylContact C-O 3.54Å; P12-M143 VanDerWaalsContact CA-O 3.22Å; P12-M143 WeakPolarHBondContact CA-O 3.08Å; P12-M143 VanDerWaalsContact CB-O 3.26Å; P12-M143 WeakPolarHBondContact CB-O 3.4Å; T13-M143 PolarHBondContact N-O 2.88Å; H14-M143 HydrophobicContact CB-CB 4.19Å; H14-M143 HydrophobicContact CB-CE 4.12Å; H14-M143 PolarHBondContact N-O 3.05Å; H14-M143 PolarHBondContact O-N 2.91Å; Q16-M143 HydrophobicContact CB-CE 4Å; Q16-M143 HydrophobicContact CB-CG 4.48Å; Q16-M143 HydrophobicContact CB-SD 4.27Å; Q16-M143 PolarHBondContact OE1-SD 2.97Å; Q141-M143 HydrophobicContact CG-CG 4.46Å |
| 144 | R | 80.1 | Confident | 74.4 | Confident | 94 Ų | 94 | 69.6 Ų | 69.6 | 36% | 0.355 | 36% | 0.356 | S | S | . | . | trans | -127.9 | 124 | 170.5 | -172.5 | 179.6 | -170.5 | 156.1 | -0.3 | 108.6 | W10 F11 T13 | W10-R144 HydrophobicContact CZ2-CB 3.6Å; F11-R144 VanDerWaalsContact O-CD 3.26Å; F11-R144 WeakPolarHBondContact O-CD 3.29Å; T13-R144 HydrophobicContact CG2-CG 4.33Å | ||
| 145 | N | 68.6 | Low | 72.1 | Confident | 50 Ų | 50 | 73.8 Ų | 73.8 | 27% | 0.267 | 39% | 0.385 | S | S | . | . | trans | -80.8 | 115.1 | 173.7 | 57.1 | -17 | 0 | 0 | 0 | 110.3 | T13 H14 M147 T148 | T13-N145 WeakPolarHBondContact CB-OD1 3.32Å; T13-N145 PolarHBondContact OG1-N 2.87Å; T13-N145 VanDerWaalsContact OG1-N 3.15Å; T13-N145 PolarHBondContact OG1-OD1 3.47Å; H14-N145 PolarHBondContact CE1-ND2 3.45Å; N145-M147 PolarHBondContact O-N 3.49Å; N145-T148 WeakPolarHBondContact ND2-CG2 3.35Å; N145-T148 PolarHBondContact O-N 3.19Å; N145-T148 PolarHBondContact O-OG1 3.2Å; N145-T148 PolarHBondContact OD1-OG1 2.57Å | ||
| 146 | N | 60.4 | Low | 69.8 | Low | 133 Ų | 133 | 77 Ų | 77 | 71% | 0.711 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -66 | -21.7 | -175.6 | -70.3 | -6.1 | 0 | 0 | 0 | 113.5 | S150 | N146-S150 PolarHBondContact O-N 3.46Å |
| 147 | M | 54.4 | Low | 67.6 | Low | 161 Ų | 161 | 84.8 Ų | 84.8 | 79% | 0.793 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -67.6 | -38 | -179.7 | -70.1 | -144.7 | 74.1 | 0 | 0 | 114.3 | N145 | N145-M147 PolarHBondContact O-N 3.49Å |
| 148 | T | 53.4 | Low | 64.9 | Low | 52 Ų | 52 | 87.3 Ų | 87.3 | 32% | 0.319 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -79.2 | -31.8 | 178.3 | 54 | 0 | 0 | 0 | 0 | 111.7 | N145 S150 M151 F152 | N145-T148 WeakPolarHBondContact ND2-CG2 3.35Å; N145-T148 PolarHBondContact O-N 3.19Å; N145-T148 PolarHBondContact O-OG1 3.2Å; N145-T148 PolarHBondContact OD1-OG1 2.57Å; T148-S150 VanDerWaalsContact C-N 3.26Å; T148-S150 PolarHBondContact O-N 3.32Å; T148-M151 PolarHBondContact O-N 3.21Å; T148-F152 PolarHBondContact O-N 3.15Å |
| 149 | A | 45 | Very low | 62.5 | Low | 37 Ų | 37 | 96.9 Ų | 96.9 | 31% | 0.306 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -58.3 | -37.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 150 | S | 52 | Low | 60.3 | Low | 75 Ų | 75 | 101.8 Ų | 101.8 | 52% | 0.524 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -73.6 | -41.6 | 175.4 | -176.5 | 0 | 0 | 0 | 0 | 112.7 | N146 T148 L154 | N146-S150 PolarHBondContact O-N 3.46Å; T148-S150 VanDerWaalsContact C-N 3.26Å; T148-S150 PolarHBondContact O-N 3.32Å; S150-L154 WeakPolarHBondContact O-CG 3.45Å; S150-L154 PolarHBondContact O-N 2.83Å |
| 151 | M | 46.9 | Very low | 58.1 | Low | 139 Ų | 139 | 111 Ų | 111 | 69% | 0.685 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -73 | -32.5 | -177.2 | -80.6 | -94.9 | -73.4 | 0 | 0 | 114.5 | T148 S155 | T148-M151 PolarHBondContact O-N 3.21Å; M151-S155 WeakPolarHBondContact O-CB 3.33Å; M151-S155 PolarHBondContact O-N 3.45Å |
| 152 | F | 51.5 | Low | 56.1 | Low | 152 Ų | 152 | 112.4 Ų | 112.4 | 67% | 0.667 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -71.8 | -34.8 | -177.8 | -119.5 | -88.1 | 0 | 0 | 0 | 112.8 | T148 S155 | T148-F152 PolarHBondContact O-N 3.15Å; F152-S155 WeakPolarHBondContact O-CB 3.14Å; F152-S155 PolarHBondContact O-N 2.97Å |
| 153 | D | 53.3 | Low | 54.4 | Low | 134 Ų | 134 | 116.2 Ų | 116.2 | 72% | 0.717 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -70.9 | -39 | 176.7 | -151.4 | 30.3 | 0 | 0 | 0 | 110.8 | S155 M156 | D153-S155 VanDerWaalsContact C-N 3.32Å; D153-S155 PolarHBondContact O-N 2.88Å; D153-M156 PolarHBondContact O-N 3.3Å |
| 154 | L | 48.1 | Very low | 52.6 | Low | 130 Ų | 130 | 122 Ų | 122 | 68% | 0.681 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -75.5 | -13.6 | 174.9 | -64.4 | 174.1 | 0 | 0 | 0 | 114.5 | S150 M156 | S150-L154 WeakPolarHBondContact O-CG 3.45Å; S150-L154 PolarHBondContact O-N 2.83Å; L154-M156 VanDerWaalsContact C-N 3.31Å |
| 155 | S | 47.5 | Very low | 51.3 | Low | 92 Ų | 92 | 122.1 Ų | 122.1 | 64% | 0.643 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -72.3 | -29.7 | 175.1 | -168.5 | 0 | 0 | 0 | 0 | 111.8 | M151 F152 D153 K157 | M151-S155 WeakPolarHBondContact O-CB 3.33Å; M151-S155 PolarHBondContact O-N 3.45Å; F152-S155 WeakPolarHBondContact O-CB 3.14Å; F152-S155 PolarHBondContact O-N 2.97Å; D153-S155 VanDerWaalsContact C-N 3.32Å; D153-S155 PolarHBondContact O-N 2.88Å; S155-K157 PolarHBondContact O-N 3.03Å |
| 156 | M | 48.9 | Very low | 50.5 | Low | 117 Ų | 117 | 129.3 Ų | 129.3 | 58% | 0.576 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -88.7 | 85.4 | -179.8 | -62.5 | -67.3 | -174.6 | 0 | 0 | 110.1 | D153 L154 F440 | D153-M156 PolarHBondContact O-N 3.3Å; L154-M156 VanDerWaalsContact C-N 3.31Å; M156-F440 HydrophobicContact SD-CZ 4Å |
| 157 | K | 51.2 | Low | 50.3 | Low | 163 Ų | 163 | 130.9 Ų | 130.9 | 71% | 0.709 | 69% | 0.69 | S | S | * | * | S | Bend | trans | 78.8 | 134.2 | 175 | -166.5 | 179.6 | 174.2 | -173.9 | 0 | 112.9 | S155 | S155-K157 PolarHBondContact O-N 3.03Š|
| 158 | D | 42.2 | Very low | 50.7 | Low | 119 Ų | 119 | 132 Ų | 132 | 64% | 0.636 | 69% | 0.69 | S | S | * | * | cis | -134.1 | 149 | 17 | -122 | -41.5 | 0 | 0 | 0 | 113 | T160 | D158-T160 VanDerWaalsContact C-N 3.29Å; D158-T160 HydrophobicContact CB-CG2 4.25Å; D158-T160 PolarHBondContact O-N 3.43Å | ||
| 159 | K | 46.9 | Very low | 50.8 | Low | 201 Ų | 201 | 136.9 Ų | 136.9 | 87% | 0.874 | 71% | 0.714 | S | S | * | * | trans | -84 | 68.2 | 173.1 | -71.6 | 179 | -179 | 171.4 | 0 | 110.9 | K161 | K159-K161 PolarHBondContact O-N 2.83Š| ||
| 160 | T | 50.6 | Low | 51.3 | Low | 129 Ų | 129 | 145.1 Ų | 145.1 | 79% | 0.791 | 74% | 0.743 | S | S | * | * | trans | -64.6 | 120.4 | 178.6 | 53.2 | 0 | 0 | 0 | 0 | 111.1 | D158 | D158-T160 VanDerWaalsContact C-N 3.29Å; D158-T160 HydrophobicContact CB-CG2 4.25Å; D158-T160 PolarHBondContact O-N 3.43Å | ||
| 161 | K | 49.1 | Very low | 51.4 | Low | 202 Ų | 202 | 150 Ų | 150 | 88% | 0.878 | 76% | 0.76 | S | S | * | * | trans | -73.9 | 152.8 | -178.1 | -63.8 | 175.7 | -177.9 | 174.3 | 0 | 110.9 | K159 | K159-K161 PolarHBondContact O-N 2.83Š| ||
| 162 | S | 49.9 | Very low | 51.5 | Low | 86 Ų | 86 | 153.5 Ų | 153.5 | 60% | 0.601 | 77% | 0.771 | S | S | * | * | trans | -43.5 | 139 | -179.6 | 173 | 0 | 0 | 0 | 0 | 114.2 | F164 | S162-F164 PolarHBondContact O-N 3.47Å; S162-F164 VanDerWaalsContact O-N 3.1Å | ||
| 163 | P | 55.7 | Low | 51.1 | Low | 115 Ų | 115 | 149.9 Ų | 149.9 | 75% | 0.747 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.3 | -9.2 | -175.6 | 28.1 | -36.1 | 0 | 0 | 0 | 114.8 | A165 | P163-A165 PolarHBondContact O-N 3.45Š|
| 164 | F | 48.2 | Very low | 50.6 | Low | 181 Ų | 181 | 153.7 Ų | 153.7 | 79% | 0.794 | 78% | 0.781 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87 | 7.8 | -171.5 | -80.1 | -79.5 | 0 | 0 | 0 | 116.1 | S162 K166 | S162-F164 PolarHBondContact O-N 3.47Å; S162-F164 VanDerWaalsContact O-N 3.1Å; F164-K166 PolarHBondContact O-N 3.25Å |
| 165 | A | 53.1 | Low | 50.2 | Low | 96 Ų | 96 | 155.7 Ų | 155.7 | 79% | 0.793 | 78% | 0.784 | S | S | * | * | trans | -72 | 15.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | P163 | P163-A165 PolarHBondContact O-N 3.45Š| ||
| 166 | K | 52.9 | Low | 49.6 | Very low | 201 Ų | 201 | 157.8 Ų | 157.8 | 87% | 0.874 | 79% | 0.788 | S | S | * | * | trans | -115.9 | 47 | -176.7 | -77.7 | -171.3 | 175.4 | -177.4 | 0 | 114.1 | F164 | F164-K166 PolarHBondContact O-N 3.25Š| ||
| 167 | L | 56.3 | Low | 48.9 | Very low | 167 Ų | 167 | 159.1 Ų | 159.1 | 87% | 0.874 | 80% | 0.798 | S | S | * | * | trans | -146.7 | 57.3 | 167.7 | -163.2 | 63.5 | 0 | 0 | 0 | 114.2 | ||||
| 168 | K | 61.8 | Low | 48 | Very low | 184 Ų | 184 | 154.4 Ų | 154.4 | 80% | 0.8 | 80% | 0.796 | S | S | * | * | trans | -158.8 | 76.7 | 158.5 | -160.1 | -164.3 | 71.2 | 177.9 | 0 | 114.1 | ||||
| 169 | D | 55.7 | Low | 47.6 | Very low | 154 Ų | 154 | 154.1 Ų | 154.1 | 82% | 0.824 | 80% | 0.798 | S | S | * | * | trans | -163.8 | 108.7 | 135 | -110.6 | -25.5 | 0 | 0 | 0 | 112.9 | ||||
| 170 | K | 55.4 | Low | 47.1 | Very low | 210 Ų | 210 | 154 Ų | 154 | 91% | 0.913 | 80% | 0.798 | S | S | * | * | trans | -179.8 | 56.2 | 159.4 | -110 | 178.6 | 179.2 | -175.8 | 0 | 112.2 | ||||
| 171 | M | 55.2 | Low | 46.4 | Very low | 179 Ų | 179 | 153.2 Ų | 153.2 | 88% | 0.882 | 80% | 0.798 | S | S | * | * | trans | -154.7 | 61.5 | 171.2 | -159.9 | 57.6 | 177.4 | 0 | 0 | 115.4 | ||||
| 172 | K | 49.1 | Very low | 45.7 | Very low | 212 Ų | 212 | 150.3 Ų | 150.3 | 92% | 0.922 | 79% | 0.792 | S | S | * | * | trans | -159 | 137.9 | 162.5 | -144.7 | 85.7 | 173.7 | -168.8 | 0 | 110.9 | ||||
| 173 | G | 41.9 | Very low | 45.3 | Very low | 76 Ų | 76 | 152.5 Ų | 152.5 | 78% | 0.784 | 80% | 0.802 | S | S | * | * | trans | 87.8 | 100.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 174 | R | 42.5 | Very low | 44.4 | Very low | 214 Ų | 214 | 151.9 Ų | 151.9 | 81% | 0.808 | 80% | 0.8 | S | S | * | * | cis | 109 | 95.1 | 9.6 | -164.9 | -171.9 | -166.3 | -113.2 | 9.4 | 114.1 | ||||
| 175 | K | 41.3 | Very low | 43.9 | Very low | 171 Ų | 171 | 148.5 Ų | 148.5 | 74% | 0.743 | 80% | 0.799 | S | S | * | * | trans | 74.3 | 149.1 | 163 | -62.8 | -180 | 173 | -136.9 | 0 | 115.1 | ||||
| 176 | N | 34 | Very low | 43.2 | Very low | 137 Ų | 137 | 148.2 Ų | 148.2 | 73% | 0.733 | 80% | 0.797 | S | S | * | * | cis | -135.1 | -174.4 | 33.9 | -150.5 | 64.6 | 0 | 0 | 0 | 116.3 | ||||
| 177 | D | 33.9 | Very low | 42.4 | Very low | 145 Ų | 145 | 146.6 Ų | 146.6 | 78% | 0.775 | 80% | 0.796 | S | S | * | * | trans | -64.5 | 170.8 | -175.5 | -52.3 | -74.8 | 0 | 0 | 0 | 116 | ||||
| 178 | G | 32.6 | Very low | 41.7 | Very low | 64 Ų | 64 | 146.3 Ų | 146.3 | 66% | 0.66 | 79% | 0.794 | S | S | * | * | trans | -169.4 | -26.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 179 | T | 34.3 | Very low | 40.7 | Very low | 113 Ų | 113 | 142.7 Ų | 142.7 | 69% | 0.693 | 79% | 0.789 | S | S | * | * | trans | 68.9 | 148.2 | 171.2 | -33.3 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 180 | F | 35.1 | Very low | 39.6 | Very low | 198 Ų | 198 | 140.9 Ų | 140.9 | 87% | 0.868 | 79% | 0.788 | S | S | * | * | trans | 67.3 | 150.3 | 174.4 | -44 | -71.3 | 0 | 0 | 0 | 116 | ||||
| 181 | S | 37.5 | Very low | 38.5 | Very low | 113 Ų | 113 | 136.9 Ų | 136.9 | 79% | 0.79 | 78% | 0.782 | S | S | * | * | cis | -144.3 | 163.1 | -3.2 | -169 | 0 | 0 | 0 | 0 | 111 | ||||
| 182 | D | 33.8 | Very low | 37.5 | Very low | 141 Ų | 141 | 136.2 Ų | 136.2 | 75% | 0.754 | 78% | 0.776 | S | S | * | * | trans | -68.3 | 176.5 | 176 | -77.6 | -70.2 | 0 | 0 | 0 | 115.9 | ||||
| 183 | T | 40.5 | Very low | 37.1 | Very low | 132 Ų | 132 | 133 Ų | 133 | 81% | 0.81 | 77% | 0.768 | S | S | * | * | trans | 86.9 | 157.2 | 158.1 | 73.3 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 184 | S | 37.1 | Very low | 37.4 | Very low | 102 Ų | 102 | 134.4 Ų | 134.4 | 71% | 0.713 | 76% | 0.764 | S | S | * | * | cis | -177.3 | 144.5 | -46.7 | -96.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 185 | S | 37.5 | Very low | 36.7 | Very low | 110 Ų | 110 | 132 Ų | 132 | 77% | 0.769 | 77% | 0.767 | S | S | * | * | trans | 65 | 146.9 | 167.2 | -51.8 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 186 | A | 38.5 | Very low | 36.4 | Very low | 90 Ų | 90 | 127.4 Ų | 127.4 | 74% | 0.744 | 76% | 0.761 | S | S | * | * | cis | 75.2 | 93.1 | 25.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 187 | I | 36.3 | Very low | 36.4 | Very low | 167 Ų | 167 | 126.4 Ų | 126.4 | 86% | 0.856 | 76% | 0.764 | S | S | * | * | trans | -164.6 | 135 | 153.8 | -97.5 | 142.7 | 0 | 0 | 0 | 110.1 | ||||
| 188 | I | 40.8 | Very low | 36.5 | Very low | 161 Ų | 161 | 126.9 Ų | 126.9 | 83% | 0.826 | 77% | 0.765 | S | S | * | * | trans | -148.4 | 125.8 | 164 | -73.8 | -176.4 | 0 | 0 | 0 | 103.2 | ||||
| 189 | P | 41.8 | Very low | 36.4 | Very low | 108 Ų | 108 | 132 Ų | 132 | 70% | 0.701 | 77% | 0.772 | S | S | * | * | -160 | 169.4 | 87.9 | 41.7 | -21.7 | 0 | 0 | 0 | 119.1 | |||||
| 190 | S | 32.6 | Very low | 36.2 | Very low | 116 Ų | 116 | 131.6 Ų | 131.6 | 81% | 0.811 | 77% | 0.769 | S | S | * | * | trans | 65.7 | 161.2 | 152.8 | -87.1 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 191 | T | 32.5 | Very low | 36.2 | Very low | 126 Ų | 126 | 132.6 Ų | 132.6 | 77% | 0.773 | 77% | 0.769 | S | S | * | * | cis | -123.1 | -176.4 | -6.3 | 38.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 192 | H | 34 | Very low | 35.8 | Very low | 164 Ų | 164 | 131.7 Ų | 131.7 | 76% | 0.759 | 76% | 0.762 | S | S | * | * | cis | -163.7 | 174.1 | 39.9 | -170.8 | -94.5 | 0 | 0 | 0 | 114 | ||||
| 193 | L | 39.9 | Very low | 35.8 | Very low | 145 Ų | 145 | 130.6 Ų | 130.6 | 76% | 0.759 | 77% | 0.766 | S | S | * | * | trans | -97.2 | -164.9 | -174 | -72.3 | 165 | 0 | 0 | 0 | 112.4 | ||||
| 194 | P | 49.4 | Very low | 35.3 | Very low | 106 Ų | 106 | 131.6 Ų | 131.6 | 69% | 0.688 | 76% | 0.761 | S | S | * | * | cis | -130.6 | -173.8 | -46.7 | 32.4 | -14.4 | 0 | 0 | 0 | 113 | ||||
| 195 | D | 28.1 | Very low | 35 | Very low | 163 Ų | 163 | 132.6 Ų | 132.6 | 87% | 0.872 | 76% | 0.763 | S | S | * | * | trans | -142.5 | 170.7 | 131.7 | -154.5 | -6 | 0 | 0 | 0 | 110.1 | ||||
| 196 | A | 35.1 | Very low | 34.7 | Very low | 75 Ų | 75 | 133.7 Ų | 133.7 | 62% | 0.62 | 76% | 0.756 | S | S | * | * | trans | -131.1 | 167 | -143 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 197 | S | 32.6 | Very low | 34.4 | Very low | 115 Ų | 115 | 135.5 Ų | 135.5 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | trans | 72.1 | 154.3 | 166.4 | 77.3 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 198 | I | 35.8 | Very low | 34 | Very low | 155 Ų | 155 | 136.1 Ų | 136.1 | 80% | 0.795 | 75% | 0.754 | S | S | * | * | cis | -128.4 | 164.8 | 18 | -70.6 | 174.3 | 0 | 0 | 0 | 112.7 | ||||
| 199 | E | 31.6 | Very low | 33.7 | Very low | 173 Ų | 173 | 134.2 Ų | 134.2 | 81% | 0.808 | 76% | 0.755 | S | S | * | * | trans | -52.8 | 174.3 | 176.5 | -64.6 | -168.6 | 144.5 | 0 | 0 | 119.2 | ||||
| 200 | V | 30.6 | Very low | 33.3 | Very low | 104 Ų | 104 | 138.6 Ų | 138.6 | 63% | 0.63 | 76% | 0.763 | S | S | * | * | cis | -168.1 | 175.5 | -19.6 | 146.3 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 201 | Y | 33.7 | Very low | 34.3 | Very low | 219 Ų | 219 | 138.1 Ų | 138.1 | 86% | 0.859 | 76% | 0.757 | S | S | * | * | trans | 86.6 | 138.6 | 174.5 | -80.5 | -78.4 | 0 | 0 | 0 | 117.5 | ||||
| 202 | S | 30.2 | Very low | 34.4 | Very low | 93 Ų | 93 | 141.8 Ų | 141.8 | 65% | 0.65 | 76% | 0.762 | S | S | * | * | 163.6 | 113.5 | -52.5 | -80.9 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 203 | S | 32.7 | Very low | 34.7 | Very low | 119 Ų | 119 | 143.5 Ų | 143.5 | 83% | 0.832 | 77% | 0.767 | S | S | * | * | trans | 174 | 104.1 | 160.5 | -78.1 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 204 | E | 30.1 | Very low | 35.1 | Very low | 152 Ų | 152 | 141.5 Ų | 141.5 | 71% | 0.71 | 76% | 0.763 | S | S | * | * | 55.2 | 123.2 | 51.3 | -155.1 | 158 | -143.7 | 0 | 0 | 111.6 | Q206 | E204-Q206 HydrophobicContact CG-CG 4.38Å; E204-Q206 PolarHBondContact OE1-NE2 3.08Å | |||
| 205 | V | 32 | Very low | 34.3 | Very low | 124 Ų | 124 | 144.9 Ų | 144.9 | 75% | 0.752 | 77% | 0.767 | S | S | * | * | cis | -129.8 | 131.3 | 42.6 | -177.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 206 | Q | 31 | Very low | 34.7 | Very low | 132 Ų | 132 | 143.5 Ų | 143.5 | 62% | 0.617 | 76% | 0.759 | S | S | * | * | 42.6 | 154.7 | 97.8 | -39.3 | -156.1 | 39.2 | 0 | 0 | 116.7 | E204 | E204-Q206 HydrophobicContact CG-CG 4.38Å; E204-Q206 PolarHBondContact OE1-NE2 3.08Å | |||
| 207 | V | 31 | Very low | 34.9 | Very low | 128 Ų | 128 | 148 Ų | 148 | 78% | 0.776 | 77% | 0.772 | S | S | * | * | cis | -141.6 | 161.7 | 25.6 | -176.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 208 | K | 29.4 | Very low | 34.9 | Very low | 181 Ų | 181 | 145.6 Ų | 145.6 | 79% | 0.787 | 77% | 0.765 | S | S | * | * | trans | -85 | 160.1 | -177.3 | -52.8 | 136.8 | -179.7 | 162.2 | 0 | 113.7 | ||||
| 209 | S | 32.8 | Very low | 35.2 | Very low | 121 Ų | 121 | 144.6 Ų | 144.6 | 85% | 0.846 | 77% | 0.769 | S | S | * | * | -153.3 | 158.6 | 127.6 | 65.1 | 0 | 0 | 0 | 0 | 113 | |||||
| 210 | K | 35 | Very low | 35.4 | Very low | 200 Ų | 200 | 145.2 Ų | 145.2 | 87% | 0.87 | 77% | 0.772 | S | S | * | * | trans | -140.7 | 179.7 | -179 | -72.8 | -174.9 | 179.7 | -179.5 | 0 | 107.1 | ||||
| 211 | P | 52.2 | Low | 35.7 | Very low | 105 Ų | 105 | 151 Ų | 151 | 68% | 0.682 | 78% | 0.782 | S | S | * | * | -127.7 | -178.4 | -53.2 | 37.8 | -23.9 | 0 | 0 | 0 | 111 | |||||
| 212 | K | 34.2 | Very low | 35.9 | Very low | 203 Ų | 203 | 149 Ų | 149 | 88% | 0.883 | 79% | 0.785 | S | S | * | * | trans | 178.3 | 155.4 | 130.6 | -94.6 | 150.6 | -171.5 | 177.7 | 0 | 112.7 | ||||
| 213 | K | 41.1 | Very low | 36 | Very low | 201 Ų | 201 | 150.5 Ų | 150.5 | 87% | 0.874 | 80% | 0.796 | S | S | * | * | trans | -126.9 | 165.3 | 167.8 | -90.9 | -174.3 | 179.3 | -177.8 | 0 | 106.3 | ||||
| 214 | P | 48.3 | Very low | 36.1 | Very low | 103 Ų | 103 | 150.4 Ų | 150.4 | 67% | 0.669 | 80% | 0.795 | S | S | * | * | cis | -121 | -152.1 | 28.1 | 44.5 | -28.6 | 0 | 0 | 0 | 112 | ||||
| 215 | F | 32.7 | Very low | 36.2 | Very low | 176 Ų | 176 | 147.5 Ų | 147.5 | 77% | 0.772 | 80% | 0.797 | S | S | * | * | cis | -155.3 | 151.1 | 9.1 | -127.9 | -24.3 | 0 | 0 | 0 | 113.5 | ||||
| 216 | L | 37 | Very low | 36.5 | Very low | 135 Ų | 135 | 150.7 Ų | 150.7 | 71% | 0.707 | 80% | 0.803 | S | S | * | * | trans | 48.4 | 145.2 | 145.1 | -85.2 | 168.5 | 0 | 0 | 0 | 124.6 | ||||
| 217 | L | 38.5 | Very low | 36.5 | Very low | 168 Ų | 168 | 149.7 Ų | 149.7 | 88% | 0.88 | 81% | 0.811 | S | S | * | * | trans | 82 | 125 | 156.8 | -70.4 | 163.9 | 0 | 0 | 0 | 121.4 | ||||
| 218 | G | 32.5 | Very low | 36.7 | Very low | 65 Ų | 65 | 151.3 Ų | 151.3 | 67% | 0.67 | 81% | 0.812 | S | S | * | * | trans | 106.3 | 103.7 | 142.3 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 219 | P | 42.7 | Very low | 37 | Very low | 135 Ų | 135 | 146.3 Ų | 146.3 | 88% | 0.877 | 80% | 0.8 | S | S | * | * | trans | -82.2 | 112.7 | 162.4 | 32.2 | -29.8 | 0 | 0 | 0 | 110.6 | ||||
| 220 | Q | 35.7 | Very low | 37.1 | Very low | 185 Ų | 185 | 146.6 Ų | 146.6 | 86% | 0.864 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 136 | 173.2 | -78.8 | -69.6 | 2.8 | 0 | 0 | 111.5 | ||
| 221 | R | 36.3 | Very low | 37.1 | Very low | 227 Ų | 227 | 143.9 Ų | 143.9 | 86% | 0.857 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -84 | 142.4 | 164.9 | -89.8 | -173.2 | 165.2 | -131.1 | -0.4 | 109.3 | ||
| 222 | L | 38.4 | Very low | 36.2 | Very low | 176 Ų | 176 | 145.1 Ų | 145.1 | 92% | 0.921 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 149.6 | 162.1 | -68.9 | 176 | 0 | 0 | 0 | 110.7 | ||
| 223 | S | 31.8 | Very low | 36 | Very low | 125 Ų | 125 | 139 Ų | 139 | 87% | 0.874 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 164 | -159 | -53.4 | 0 | 0 | 0 | 0 | 115.4 | ||
| 224 | S | 34.5 | Very low | 35.4 | Very low | 116 Ų | 116 | 134.6 Ų | 134.6 | 81% | 0.811 | 78% | 0.782 | S | S | * | * | trans | -143.7 | 113.5 | 175.7 | 58.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 225 | A | 34.3 | Very low | 34.4 | Very low | 91 Ų | 91 | 137.8 Ų | 137.8 | 75% | 0.752 | 79% | 0.787 | S | S | * | * | trans | -162.9 | 143.6 | 167.1 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 226 | H | 36.2 | Very low | 34.3 | Very low | 191 Ų | 191 | 136.2 Ų | 136.2 | 88% | 0.884 | 79% | 0.792 | S | S | * | * | cis | 68.8 | 89.2 | 8.2 | -69 | 99.2 | 0 | 0 | 0 | 118.1 | ||||
| 227 | S | 32.7 | Very low | 33.9 | Very low | 112 Ų | 112 | 134.6 Ų | 134.6 | 78% | 0.783 | 79% | 0.792 | S | S | * | * | trans | -162.3 | 143.1 | 146.7 | -102.6 | 0 | 0 | 0 | 0 | 107 | ||||
| 228 | M | 33.9 | Very low | 33.3 | Very low | 162 Ų | 162 | 131.6 Ų | 131.6 | 80% | 0.798 | 79% | 0.785 | S | S | * | * | cis | 72.3 | 134.7 | 42 | -58.9 | -72.6 | -71.4 | 0 | 0 | 113 | ||||
| 229 | S | 36.8 | Very low | 33 | Very low | 75 Ų | 75 | 135.3 Ų | 135.3 | 52% | 0.524 | 79% | 0.785 | S | S | . | * | cis | -177.6 | -179.5 | -14.3 | 43.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 230 | D | 34.2 | Very low | 32.4 | Very low | 127 Ų | 127 | 136.7 Ų | 136.7 | 68% | 0.679 | 78% | 0.777 | S | S | * | * | trans | 92.5 | 136.8 | 143.5 | -60.1 | -34.8 | 0 | 0 | 0 | 122.5 | ||||
| 231 | L | 35.7 | Very low | 32.1 | Very low | 144 Ų | 144 | 132.2 Ų | 132.2 | 75% | 0.754 | 77% | 0.772 | S | S | * | * | 80.5 | 147 | 69.1 | -54.6 | 175.7 | 0 | 0 | 0 | 114.6 | |||||
| 232 | T | 33.8 | Very low | 31.7 | Very low | 130 Ų | 130 | 130.8 Ų | 130.8 | 80% | 0.798 | 77% | 0.771 | S | S | * | * | cis | -162.6 | 152.9 | 2.1 | -1.3 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 233 | G | 28.1 | Very low | 31.2 | Very low | 76 Ų | 76 | 127.9 Ų | 127.9 | 78% | 0.784 | 77% | 0.766 | S | S | * | * | trans | 80.6 | 176.9 | 145.7 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 234 | S | 30 | Very low | 31.1 | Very low | 108 Ų | 108 | 126.5 Ų | 126.5 | 76% | 0.755 | 76% | 0.756 | S | S | * | * | cis | -168.3 | 170.6 | -15.3 | 70.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 235 | H | 27.7 | Very low | 31 | Very low | 169 Ų | 169 | 127.1 Ų | 127.1 | 78% | 0.782 | 76% | 0.756 | S | S | * | * | trans | 61.6 | 132 | 153.8 | -102.5 | -100.8 | 0 | 0 | 0 | 123.7 | ||||
| 236 | V | 30.6 | Very low | 30.9 | Very low | 144 Ų | 144 | 130.5 Ų | 130.5 | 87% | 0.873 | 76% | 0.759 | S | S | * | * | -172.2 | -171.3 | 111.3 | -84.9 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 237 | S | 27.7 | Very low | 30.6 | Very low | 101 Ų | 101 | 124.3 Ų | 124.3 | 71% | 0.706 | 75% | 0.747 | S | S | * | * | trans | -155.8 | 153.5 | -143.3 | 57.7 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 238 | S | 25.8 | Very low | 30.5 | Very low | 105 Ų | 105 | 129.4 Ų | 129.4 | 73% | 0.734 | 75% | 0.751 | S | S | * | * | trans | 89.6 | 156.3 | 142.9 | -142.4 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 239 | E | 26.5 | Very low | 30.3 | Very low | 143 Ų | 143 | 125.3 Ų | 125.3 | 67% | 0.668 | 74% | 0.738 | S | S | * | * | trans | 68.2 | 149 | 162.9 | -52.8 | -112 | 120.8 | 0 | 0 | 118.6 | ||||
| 240 | K | 29.5 | Very low | 30 | Very low | 164 Ų | 164 | 129 Ų | 129 | 71% | 0.713 | 75% | 0.747 | S | S | * | * | cis | -168 | 157.1 | -26.1 | -118.9 | -180 | -168.4 | 143.9 | 0 | 110.6 | ||||
| 241 | A | 28.9 | Very low | 29.8 | Very low | 91 Ų | 91 | 129.9 Ų | 129.9 | 75% | 0.752 | 75% | 0.751 | S | S | * | * | trans | 65.6 | 160.9 | 150.1 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 242 | K | 29.5 | Very low | 29.7 | Very low | 196 Ų | 196 | 131.8 Ų | 131.8 | 85% | 0.852 | 75% | 0.753 | S | S | * | * | cis | -169.7 | 171.7 | -41.9 | -116.6 | 177.6 | -178.9 | -178.3 | 0 | 110.4 | ||||
| 243 | S | 27.9 | Very low | 29.4 | Very low | 116 Ų | 116 | 135.5 Ų | 135.5 | 81% | 0.811 | 75% | 0.752 | S | S | * | * | trans | 71.2 | 155.1 | 164.7 | 76.9 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 244 | S | 28.2 | Very low | 29.4 | Very low | 96 Ų | 96 | 141.8 Ų | 141.8 | 67% | 0.671 | 75% | 0.753 | S | S | * | * | cis | -168.7 | 124.8 | -19.8 | 42.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 245 | T | 32.2 | Very low | 29.2 | Very low | 129 Ų | 129 | 143.9 Ų | 143.9 | 79% | 0.791 | 75% | 0.75 | S | S | * | * | 94.3 | 152.7 | 89.4 | -51.1 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 246 | I | 33.8 | Very low | 29.3 | Very low | 162 Ų | 162 | 142 Ų | 142 | 83% | 0.831 | 75% | 0.746 | S | S | * | * | trans | 81.6 | 128.8 | 176.5 | -45.9 | 179.5 | 0 | 0 | 0 | 114.9 | ||||
| 247 | G | 28.2 | Very low | 29.2 | Very low | 61 Ų | 61 | 141.3 Ų | 141.3 | 63% | 0.629 | 73% | 0.733 | S | S | * | * | cis | 171.3 | 172.3 | -9.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 248 | Y | 31.4 | Very low | 29.3 | Very low | 218 Ų | 218 | 141.8 Ų | 141.8 | 86% | 0.855 | 74% | 0.736 | S | S | * | * | trans | 47.4 | 135.6 | 155.3 | -65.8 | -79.7 | 0 | 0 | 0 | 121 | ||||
| 249 | S | 29.3 | Very low | 29.7 | Very low | 77 Ų | 77 | 145.8 Ų | 145.8 | 54% | 0.538 | 74% | 0.741 | S | S | . | * | cis | 166.3 | 174.6 | -7.7 | 42.9 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 250 | H | 30.1 | Very low | 29.9 | Very low | 152 Ų | 152 | 142.6 Ų | 142.6 | 70% | 0.704 | 75% | 0.746 | S | S | * | * | trans | 87.9 | 95.6 | 155.9 | -56 | -54.5 | 0 | 0 | 0 | 124.5 | ||||
| 251 | L | 31.7 | Very low | 29.9 | Very low | 145 Ų | 145 | 139.9 Ų | 139.9 | 76% | 0.759 | 75% | 0.747 | S | S | * | * | 72.6 | 163.3 | 113.7 | -67.4 | 174.3 | 0 | 0 | 0 | 123.6 | |||||
| 252 | F | 33.5 | Very low | 30.1 | Very low | 184 Ų | 184 | 142.7 Ų | 142.7 | 81% | 0.807 | 75% | 0.748 | S | S | * | * | trans | 77.2 | 126.3 | 179.4 | -63 | -87.2 | 0 | 0 | 0 | 116.9 | ||||
| 253 | R | 26.3 | Very low | 30.4 | Very low | 208 Ų | 208 | 139.9 Ų | 139.9 | 79% | 0.785 | 74% | 0.743 | S | S | * | * | cis | 104.9 | 128.6 | 9.2 | -174.1 | -176.6 | -90.3 | -102.6 | 4.4 | 115.2 | ||||
| 254 | R | 27.8 | Very low | 30.8 | Very low | 208 Ų | 208 | 143 Ų | 143 | 79% | 0.785 | 75% | 0.745 | S | S | * | * | trans | 72.1 | 137.2 | 178.4 | -84.9 | -175.6 | -77.7 | -157.1 | -3.1 | 114.2 | ||||
| 255 | Q | 26.3 | Very low | 30.9 | Very low | 152 Ų | 152 | 142.3 Ų | 142.3 | 71% | 0.71 | 75% | 0.752 | S | S | * | * | cis | 70.5 | 101.6 | 14.7 | -158.4 | -162.3 | -19.4 | 0 | 0 | 115.5 | ||||
| 256 | L | 30.1 | Very low | 30.8 | Very low | 131 Ų | 131 | 139.9 Ų | 139.9 | 69% | 0.686 | 75% | 0.753 | S | S | * | * | -160.4 | 149.1 | 105.6 | -126.4 | 89.7 | 0 | 0 | 0 | 113.4 | |||||
| 257 | E | 27.9 | Very low | 30.7 | Very low | 129 Ų | 129 | 137.5 Ų | 137.5 | 60% | 0.603 | 75% | 0.75 | S | S | * | * | trans | -0.4 | 158.5 | 155.6 | -71.2 | 137.8 | -132.6 | 0 | 0 | 123.9 | F259 | E257-F259 HydrophobicContact CB-CD2 4.48Å; E257-F259 HydrophobicContact CB-CE2 3.95Å | ||
| 258 | S | 31.5 | Very low | 31 | Very low | 111 Ų | 111 | 141.4 Ų | 141.4 | 78% | 0.776 | 76% | 0.756 | S | S | * | * | trans | -106.4 | 134.2 | 165.8 | 71 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 259 | F | 32.5 | Very low | 31.3 | Very low | 189 Ų | 189 | 141 Ų | 141 | 83% | 0.829 | 76% | 0.759 | S | S | * | * | trans | -129.7 | 154.4 | 158.4 | -63.3 | -84 | 0 | 0 | 0 | 107.6 | E257 | E257-F259 HydrophobicContact CB-CD2 4.48Å; E257-F259 HydrophobicContact CB-CE2 3.95Å | ||
| 260 | G | 31.5 | Very low | 31.6 | Very low | 75 Ų | 75 | 142.6 Ų | 142.6 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | trans | -141.7 | -145.6 | -170.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 261 | S | 30.1 | Very low | 32.6 | Very low | 107 Ų | 107 | 141 Ų | 141 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | trans | 93.1 | 115 | 177.2 | -161.8 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 262 | I | 32.4 | Very low | 32.7 | Very low | 150 Ų | 150 | 140.8 Ų | 140.8 | 77% | 0.769 | 77% | 0.768 | S | S | * | * | trans | 68.8 | 150.2 | 146.7 | -106.8 | 155.7 | 0 | 0 | 0 | 116.3 | ||||
| 263 | D | 35.9 | Very low | 33 | Very low | 137 Ų | 137 | 143.3 Ų | 143.3 | 73% | 0.733 | 77% | 0.772 | S | S | * | * | cis | -142.5 | -168.4 | 28 | -142.5 | -19.4 | 0 | 0 | 0 | 115.5 | ||||
| 264 | E | 36.6 | Very low | 33.6 | Very low | 183 Ų | 183 | 142.9 Ų | 142.9 | 86% | 0.855 | 77% | 0.771 | S | S | * | * | trans | -62.9 | 160.7 | -179.5 | -61.3 | -170.3 | 100.4 | 0 | 0 | 117.7 | ||||
| 265 | G | 30.9 | Very low | 34 | Very low | 81 Ų | 81 | 138.6 Ų | 138.6 | 84% | 0.835 | 77% | 0.768 | S | S | * | * | 122.3 | 133.4 | 127.9 | 0 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 266 | G | 30 | Very low | 34.7 | Very low | 78 Ų | 78 | 138.8 Ų | 138.8 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | trans | 93.8 | 65.7 | 131.7 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 267 | S | 30.4 | Very low | 35.1 | Very low | 111 Ų | 111 | 136.7 Ų | 136.7 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | trans | 28.2 | 156.8 | 134.3 | -151.7 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 268 | L | 34.4 | Very low | 35.8 | Very low | 144 Ų | 144 | 137 Ų | 137 | 75% | 0.754 | 78% | 0.78 | S | S | * | * | trans | 78.5 | 97.1 | 161.5 | -51.2 | -178.6 | 0 | 0 | 0 | 120.1 | ||||
| 269 | K | 38 | Very low | 35.9 | Very low | 209 Ų | 209 | 138.4 Ų | 138.4 | 91% | 0.909 | 78% | 0.779 | S | S | * | * | 167.8 | 138.9 | 107.6 | -89.6 | 155.9 | -172.1 | 171.9 | 0 | 113.4 | |||||
| 270 | S | 35.7 | Very low | 36.2 | Very low | 111 Ų | 111 | 135 Ų | 135 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | trans | -124.5 | 162.1 | 159.2 | 66.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 271 | P | 51.8 | Low | 36.3 | Very low | 119 Ų | 119 | 135.9 Ų | 135.9 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | -151 | 133.2 | 122.1 | 33.6 | -14.9 | 0 | 0 | 0 | 117 | |||||
| 272 | H | 33.5 | Very low | 36.6 | Very low | 139 Ų | 139 | 139.3 Ų | 139.3 | 64% | 0.644 | 77% | 0.769 | S | S | * | * | trans | 53.3 | 109.2 | 131.7 | -102.1 | 75.1 | 0 | 0 | 0 | 123.1 | R274 | H272-R274 PolarHBondContact NE2-NH1 3.42Š| ||
| 273 | R | 40.5 | Very low | 36.5 | Very low | 238 Ų | 238 | 137.3 Ų | 137.3 | 90% | 0.898 | 76% | 0.764 | S | S | * | * | -161.9 | 125.3 | 108.3 | -101.6 | -175.8 | 174.2 | -153.9 | -1.5 | 107.6 | |||||
| 274 | R | 37 | Very low | 36.3 | Very low | 198 Ų | 198 | 137.3 Ų | 137.3 | 75% | 0.747 | 76% | 0.764 | S | S | * | * | 56.3 | 121.4 | 69.1 | -84.8 | -167.4 | 176.5 | 123.4 | 1.7 | 111.8 | H272 | H272-R274 PolarHBondContact NE2-NH1 3.42Š| |||
| 275 | T | 36.2 | Very low | 36 | Very low | 119 Ų | 119 | 135.6 Ų | 135.6 | 73% | 0.73 | 76% | 0.756 | S | S | * | * | cis | -141.5 | -172.3 | 15.8 | 60.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 276 | L | 41.5 | Very low | 36.2 | Very low | 156 Ų | 156 | 138.7 Ų | 138.7 | 82% | 0.817 | 75% | 0.752 | S | S | * | * | cis | -151.7 | -151.5 | 13.4 | -134 | -153 | 0 | 0 | 0 | 113 | ||||
| 277 | S | 38.2 | Very low | 36.1 | Very low | 86 Ų | 86 | 141.6 Ų | 141.6 | 60% | 0.601 | 75% | 0.749 | S | S | * | * | trans | -94.3 | 176.7 | -173.9 | 56.8 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 278 | V | 42.9 | Very low | 36.2 | Very low | 137 Ų | 137 | 140.4 Ų | 140.4 | 83% | 0.83 | 74% | 0.741 | S | S | * | * | cis | -136.3 | 166.1 | 24.9 | 176.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 279 | D | 33.9 | Very low | 36.1 | Very low | 140 Ų | 140 | 139.7 Ų | 139.7 | 75% | 0.749 | 74% | 0.743 | S | S | * | * | trans | -115.7 | -165.3 | -168.6 | -168.5 | 7.2 | 0 | 0 | 0 | 112.6 | ||||
| 280 | T | 38 | Very low | 35.8 | Very low | 117 Ų | 117 | 136 Ų | 136 | 72% | 0.718 | 74% | 0.738 | S | S | * | * | trans | 88.6 | 123.9 | -177.3 | 70.3 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 281 | S | 35.4 | Very low | 35.6 | Very low | 93 Ų | 93 | 137.9 Ų | 137.9 | 65% | 0.65 | 74% | 0.739 | S | S | * | * | cis | 77.2 | 139.6 | 35.8 | 97.7 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 282 | K | 35.6 | Very low | 34.7 | Very low | 180 Ų | 180 | 139.8 Ų | 139.8 | 78% | 0.783 | 74% | 0.738 | S | S | * | * | cis | -168.9 | 140.4 | 27.9 | -140.8 | 166.6 | -178.5 | 177.5 | 0 | 112.8 | ||||
| 283 | T | 30.8 | Very low | 34.6 | Very low | 108 Ų | 108 | 138.6 Ų | 138.6 | 66% | 0.663 | 74% | 0.741 | S | S | * | * | trans | 50.5 | 147.3 | 141 | 53.6 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 284 | N | 30.6 | Very low | 34.1 | Very low | 136 Ų | 136 | 131.3 Ų | 131.3 | 73% | 0.727 | 73% | 0.731 | S | S | * | * | trans | 79.3 | 162.1 | 152.4 | -66 | -11.5 | 0 | 0 | 0 | 119.5 | ||||
| 285 | Q | 30.5 | Very low | 33.8 | Very low | 147 Ų | 147 | 131.5 Ų | 131.5 | 69% | 0.687 | 74% | 0.738 | S | S | * | * | cis | 177.5 | 149.2 | -47.1 | -131.1 | -169.6 | 109.5 | 0 | 0 | 108.2 | ||||
| 286 | L | 35.8 | Very low | 33.5 | Very low | 146 Ų | 146 | 134.6 Ų | 134.6 | 76% | 0.764 | 74% | 0.744 | S | S | * | * | trans | 66 | 154.4 | 163.4 | -59.9 | 167.9 | 0 | 0 | 0 | 116.8 | ||||
| 287 | D | 28.5 | Very low | 33.2 | Very low | 139 Ų | 139 | 131.8 Ų | 131.8 | 74% | 0.743 | 74% | 0.743 | S | S | * | * | cis | -171.1 | 173.7 | -25.1 | -167.4 | 8.5 | 0 | 0 | 0 | 108.6 | ||||
| 288 | S | 31.9 | Very low | 33.1 | Very low | 87 Ų | 87 | 136.5 Ų | 136.5 | 61% | 0.608 | 76% | 0.755 | S | S | * | * | trans | 73.1 | 119.6 | 156.6 | 70.1 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 289 | T | 31.3 | Very low | 32.6 | Very low | 129 Ų | 129 | 138 Ų | 138 | 79% | 0.791 | 76% | 0.759 | S | S | * | * | trans | 31.6 | 150.3 | 130.2 | 62.6 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 290 | V | 33.2 | Very low | 32.7 | Very low | 130 Ų | 130 | 137.8 Ų | 137.8 | 79% | 0.788 | 76% | 0.758 | S | S | * | * | cis | -152.1 | 171.7 | 42.4 | -178.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 291 | D | 30.4 | Very low | 33 | Very low | 151 Ų | 151 | 137.5 Ų | 137.5 | 81% | 0.807 | 76% | 0.758 | S | S | * | * | trans | -40.7 | 164 | 159.7 | -84 | -61.4 | 0 | 0 | 0 | 115.4 | ||||
| 292 | E | 32.7 | Very low | 33.1 | Very low | 159 Ų | 159 | 141.8 Ų | 141.8 | 74% | 0.743 | 77% | 0.765 | S | S | * | * | cis | -163.1 | 150.1 | 47.4 | -131.5 | -155.9 | 137 | 0 | 0 | 115 | ||||
| 293 | T | 31.2 | Very low | 33.1 | Very low | 115 Ų | 115 | 138.9 Ų | 138.9 | 71% | 0.706 | 76% | 0.763 | S | S | * | * | trans | 64.6 | 153.7 | 149.6 | 59.7 | 0 | 0 | 0 | 0 | 125 | ||||
| 294 | A | 31.7 | Very low | 33.3 | Very low | 84 Ų | 84 | 140.9 Ų | 140.9 | 69% | 0.694 | 77% | 0.769 | S | S | * | * | trans | 93 | 90.2 | 143.6 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 295 | F | 29.6 | Very low | 33.6 | Very low | 203 Ų | 203 | 140.3 Ų | 140.3 | 89% | 0.89 | 77% | 0.771 | S | S | * | * | 72 | 143.2 | 129.7 | -82.5 | -82.7 | 0 | 0 | 0 | 124.6 | |||||
| 296 | E | 30.4 | Very low | 33.7 | Very low | 183 Ų | 183 | 138.5 Ų | 138.5 | 86% | 0.855 | 77% | 0.774 | S | S | * | * | trans | 81.6 | 146.1 | 149.8 | -78.8 | -165.1 | 135.4 | 0 | 0 | 124.4 | ||||
| 297 | A | 34.4 | Very low | 33.6 | Very low | 97 Ų | 97 | 136.4 Ų | 136.4 | 80% | 0.802 | 78% | 0.778 | S | S | * | * | trans | 65.9 | 126.3 | 159.9 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 298 | Q | 36.1 | Very low | 34.1 | Very low | 185 Ų | 185 | 135.5 Ų | 135.5 | 86% | 0.864 | 78% | 0.783 | S | S | * | * | trans | -68 | 154.4 | 162.1 | -52.4 | 168.8 | -76.7 | 0 | 0 | 110.6 | ||||
| 299 | N | 32.8 | Very low | 34.3 | Very low | 170 Ų | 170 | 138.6 Ų | 138.6 | 91% | 0.909 | 79% | 0.791 | S | S | * | * | trans | -162.1 | 153.9 | 135 | -101.9 | -52.3 | 0 | 0 | 0 | 112.4 | ||||
| 300 | D | 36.8 | Very low | 34.9 | Very low | 135 Ų | 135 | 138.3 Ų | 138.3 | 72% | 0.722 | 79% | 0.792 | S | S | * | * | trans | -93.9 | 125.3 | -168.6 | -169.6 | -2 | 0 | 0 | 0 | 111.5 | F302 | D300-F302 VanDerWaalsContact C-N 3.31Å; D300-F302 PolarHBondContact O-N 2.79Å | ||
| 301 | P | 43.4 | Very low | 35 | Very low | 111 Ų | 111 | 139.4 Ų | 139.4 | 72% | 0.721 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -83.5 | 41.9 | -162.9 | 34.7 | -39.8 | 0 | 0 | 0 | 116.1 | ||
| 302 | F | 36.7 | Very low | 35.3 | Very low | 182 Ų | 182 | 142.2 Ų | 142.2 | 80% | 0.798 | 79% | 0.793 | S | S | * | * | trans | -141.2 | 76.4 | 177.3 | -81.6 | -71.4 | 0 | 0 | 0 | 115.4 | D300 | D300-F302 VanDerWaalsContact C-N 3.31Å; D300-F302 PolarHBondContact O-N 2.79Å | ||
| 303 | T | 36.1 | Very low | 35.4 | Very low | 120 Ų | 120 | 143.7 Ų | 143.7 | 74% | 0.736 | 80% | 0.798 | S | S | * | * | trans | -142.4 | 141.6 | 157.4 | 57.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 304 | N | 35.4 | Very low | 35.7 | Very low | 149 Ų | 149 | 142.8 Ų | 142.8 | 80% | 0.797 | 80% | 0.802 | S | S | * | * | trans | 72.1 | 140.9 | 156.7 | -58.3 | -34.9 | 0 | 0 | 0 | 118.8 | ||||
| 305 | V | 35.7 | Very low | 36.1 | Very low | 125 Ų | 125 | 144.5 Ų | 144.5 | 76% | 0.758 | 80% | 0.804 | S | S | * | * | cis | -162 | 173.8 | -12.8 | 106.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 306 | S | 32.6 | Very low | 36.2 | Very low | 109 Ų | 109 | 142.6 Ų | 142.6 | 76% | 0.762 | 80% | 0.802 | S | S | * | * | trans | 80.9 | 123.1 | 171.3 | 77.4 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 307 | A | 35.3 | Very low | 36.5 | Very low | 102 Ų | 102 | 139.4 Ų | 139.4 | 84% | 0.843 | 80% | 0.798 | S | S | * | * | cis | 97.9 | 100.5 | 5.2 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 308 | S | 38.1 | Very low | 36.8 | Very low | 120 Ų | 120 | 146.6 Ų | 146.6 | 84% | 0.839 | 80% | 0.804 | S | S | * | * | trans | -148.2 | 151.6 | 153.6 | 58.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 309 | L | 37.1 | Very low | 36.8 | Very low | 151 Ų | 151 | 147 Ų | 147 | 79% | 0.791 | 81% | 0.806 | S | S | * | * | trans | -91.1 | 176.6 | -169.2 | -111.2 | 71 | 0 | 0 | 0 | 112.5 | ||||
| 310 | P | 43.1 | Very low | 37 | Very low | 124 Ų | 124 | 148.9 Ų | 148.9 | 81% | 0.805 | 81% | 0.806 | S | S | * | * | cis | -133.5 | 161.5 | 22.9 | 39.6 | -21.1 | 0 | 0 | 0 | 118.6 | ||||
| 311 | Q | 34.8 | Very low | 37.1 | Very low | 153 Ų | 153 | 149.7 Ų | 149.7 | 72% | 0.715 | 81% | 0.81 | S | S | * | * | trans | -91.1 | 161 | 172.9 | -60.8 | 165.8 | -66.2 | 0 | 0 | 112.6 | ||||
| 312 | K | 38.2 | Very low | 36.8 | Very low | 209 Ų | 209 | 149.9 Ų | 149.9 | 91% | 0.909 | 81% | 0.811 | S | S | * | * | trans | -136.2 | 160 | 153.3 | -71.8 | -167.6 | 177.3 | -178.9 | 0 | 110.3 | ||||
| 313 | F | 34.8 | Very low | 36.7 | Very low | 190 Ų | 190 | 150.6 Ų | 150.6 | 83% | 0.833 | 81% | 0.814 | S | S | * | * | trans | -104 | 153.4 | -153.9 | -62.6 | -101.9 | 0 | 0 | 0 | 115.5 | ||||
| 314 | A | 36.4 | Very low | 36.6 | Very low | 97 Ų | 97 | 153.6 Ų | 153.6 | 80% | 0.802 | 82% | 0.82 | S | S | * | * | trans | -155.7 | 139.8 | 147.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 315 | T | 40.3 | Very low | 36.6 | Very low | 120 Ų | 120 | 155 Ų | 155 | 74% | 0.736 | 82% | 0.822 | S | S | * | * | trans | -149.7 | 170.9 | -176.1 | 47.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 316 | L | 31.7 | Very low | 36.4 | Very low | 162 Ų | 162 | 153.4 Ų | 153.4 | 85% | 0.848 | 82% | 0.816 | S | S | * | * | trans | 82.9 | 153.2 | 172.3 | -54.1 | 175.6 | 0 | 0 | 0 | 117.1 | ||||
| 317 | P | 37.5 | Very low | 36.9 | Very low | 117 Ų | 117 | 154 Ų | 154 | 76% | 0.76 | 82% | 0.818 | S | S | * | * | cis | -129.1 | 170.9 | -26.6 | 32.5 | -14.5 | 0 | 0 | 0 | 114.3 | ||||
| 318 | R | 39.4 | Very low | 36.6 | Very low | 247 Ų | 247 | 153.6 Ų | 153.6 | 93% | 0.932 | 81% | 0.814 | S | S | * | * | trans | -82.5 | 150.2 | 163 | -77.2 | 172 | 160 | 157.5 | -8.6 | 110.5 | ||||
| 319 | Q | 36.9 | Very low | 36.1 | Very low | 195 Ų | 195 | 154.4 Ų | 154.4 | 91% | 0.911 | 81% | 0.814 | S | S | * | * | trans | -130.6 | 162.7 | 158.4 | -89.2 | -163.7 | -23.2 | 0 | 0 | 111.9 | ||||
| 320 | K | 36.4 | Very low | 35.6 | Very low | 208 Ų | 208 | 158.4 Ų | 158.4 | 90% | 0.904 | 82% | 0.819 | S | S | * | * | trans | -106.2 | 176 | -176.7 | -75.9 | -176.3 | 172.9 | -176.1 | 0 | 111.6 | ||||
| 321 | N | 38.9 | Very low | 35 | Very low | 153 Ų | 153 | 158.5 Ų | 158.5 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | trans | -59 | 151.9 | 177.7 | -67.5 | -7.2 | 0 | 0 | 0 | 113.6 | ||||
| 322 | P | 37.9 | Very low | 34.9 | Very low | 114 Ų | 114 | 158.4 Ų | 158.4 | 74% | 0.74 | 81% | 0.812 | S | S | * | * | trans | -103.8 | 35 | -175.4 | 42.3 | -38.2 | 0 | 0 | 0 | 114.4 | ||||
| 323 | F | 33.6 | Very low | 34.4 | Very low | 197 Ų | 197 | 154.6 Ų | 154.6 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | trans | -120.5 | 86.3 | -178.5 | -78.2 | -73.9 | 0 | 0 | 0 | 111.5 | ||||
| 324 | E | 35.5 | Very low | 34.2 | Very low | 183 Ų | 183 | 152.2 Ų | 152.2 | 86% | 0.855 | 80% | 0.797 | S | S | * | * | trans | -154.6 | 100.1 | 173.2 | -158 | 160.3 | -135.4 | 0 | 0 | 109.1 | ||||
| 325 | E | 33.4 | Very low | 33.8 | Very low | 179 Ų | 179 | 152.4 Ų | 152.4 | 84% | 0.836 | 79% | 0.792 | S | S | * | * | trans | 52.5 | 147.2 | 146.4 | -61.2 | -144.7 | -161.2 | 0 | 0 | 123.2 | ||||
| 326 | S | 32 | Very low | 33.3 | Very low | 91 Ų | 91 | 154.6 Ų | 154.6 | 64% | 0.636 | 80% | 0.798 | S | S | * | * | cis | -151.7 | -134.6 | -16.8 | -81.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 327 | P | 43.8 | Very low | 33.1 | Very low | 123 Ų | 123 | 156.1 Ų | 156.1 | 80% | 0.799 | 80% | 0.798 | S | S | * | * | -130.1 | 159.7 | -126.7 | 39 | -18.5 | 0 | 0 | 0 | 118.4 | |||||
| 328 | A | 29.2 | Very low | 32.6 | Very low | 92 Ų | 92 | 154.7 Ų | 154.7 | 76% | 0.76 | 79% | 0.791 | S | S | * | * | trans | 164.9 | 150.4 | 155.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 329 | T | 26.6 | Very low | 32.1 | Very low | 137 Ų | 137 | 152.1 Ų | 152.1 | 84% | 0.84 | 79% | 0.787 | S | S | * | * | cis | -153.2 | 166.3 | -13.1 | 13.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 330 | W | 28.3 | Very low | 32.6 | Very low | 235 Ų | 235 | 147.7 Ų | 147.7 | 89% | 0.89 | 78% | 0.775 | S | S | * | * | trans | -66.5 | 169.5 | 168.2 | -68.8 | 21.7 | 0 | 0 | 0 | 109.8 | ||||
| 331 | D | 30.1 | Very low | 32.3 | Very low | 127 Ų | 127 | 144.5 Ų | 144.5 | 68% | 0.679 | 77% | 0.773 | S | S | * | * | -177.5 | -178.1 | 50.5 | -155.8 | -2.5 | 0 | 0 | 0 | 113.9 | |||||
| 332 | Q | 31.9 | Very low | 31.8 | Very low | 150 Ų | 150 | 144.7 Ų | 144.7 | 70% | 0.701 | 77% | 0.769 | S | S | * | * | trans | 97.9 | 120.2 | 150 | -76 | 169.3 | 43 | 0 | 0 | 123.2 | ||||
| 333 | N | 27.8 | Very low | 31.5 | Very low | 129 Ų | 129 | 144.9 Ų | 144.9 | 69% | 0.69 | 76% | 0.762 | S | S | * | * | trans | 73.5 | 119.9 | 148.5 | -63.4 | -41.6 | 0 | 0 | 0 | 120 | ||||
| 334 | I | 30.1 | Very low | 31.3 | Very low | 141 Ų | 141 | 144.3 Ų | 144.3 | 72% | 0.723 | 76% | 0.759 | S | S | * | * | cis | 101.6 | 123.4 | 27.5 | -67.1 | -78.4 | 0 | 0 | 0 | 113.1 | ||||
| 335 | S | 29.1 | Very low | 31.2 | Very low | 101 Ų | 101 | 144.9 Ų | 144.9 | 71% | 0.706 | 76% | 0.759 | S | S | * | * | trans | 68.4 | 147.6 | 166.9 | -66.1 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 336 | L | 28.6 | Very low | 31 | Very low | 165 Ų | 165 | 145.7 Ų | 145.7 | 86% | 0.864 | 76% | 0.763 | S | S | * | * | cis | -136.6 | 157.3 | 29.8 | -75.9 | 160.7 | 0 | 0 | 0 | 114.9 | ||||
| 337 | F | 27.7 | Very low | 30.9 | Very low | 194 Ų | 194 | 148.3 Ų | 148.3 | 85% | 0.851 | 77% | 0.768 | S | S | * | * | trans | -74.2 | 169.9 | 161.7 | -70.9 | -107.4 | 0 | 0 | 0 | 110.1 | ||||
| 338 | S | 27.6 | Very low | 30.1 | Very low | 88 Ų | 88 | 150.9 Ų | 150.9 | 62% | 0.615 | 77% | 0.767 | S | S | * | * | cis | -167.1 | 149.9 | 18.4 | -141.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 339 | K | 29.7 | Very low | 30.2 | Very low | 192 Ų | 192 | 155.9 Ų | 155.9 | 84% | 0.835 | 77% | 0.771 | S | S | * | * | trans | 35.9 | 164.9 | 135.8 | -71.8 | -177 | 179 | 179.6 | 0 | 123.1 | ||||
| 340 | P | 46.5 | Very low | 30.4 | Very low | 103 Ų | 103 | 158.2 Ų | 158.2 | 67% | 0.669 | 77% | 0.773 | S | S | * | * | cis | -143.9 | -175.7 | -35.7 | 41.4 | -23.4 | 0 | 0 | 0 | 115.7 | ||||
| 341 | V | 30.2 | Very low | 30.7 | Very low | 141 Ų | 141 | 156.6 Ų | 156.6 | 86% | 0.855 | 77% | 0.772 | S | S | * | * | trans | 72.7 | 155.9 | 152.3 | 150.8 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 342 | E | 28.9 | Very low | 30.8 | Very low | 157 Ų | 157 | 159.9 Ų | 159.9 | 73% | 0.734 | 78% | 0.78 | S | S | * | * | cis | -172 | -169.1 | -38.1 | -153 | -99 | 107.1 | 0 | 0 | 108.4 | ||||
| 343 | I | 31.7 | Very low | 30.8 | Very low | 118 Ų | 118 | 160.2 Ų | 160.2 | 61% | 0.605 | 78% | 0.782 | S | S | * | * | trans | 96.2 | 121.9 | 155.8 | -75.5 | 179.5 | 0 | 0 | 0 | 120.3 | ||||
| 344 | K | 29.8 | Very low | 31.2 | Very low | 184 Ų | 184 | 164.2 Ų | 164.2 | 80% | 0.8 | 79% | 0.793 | S | S | * | * | trans | 80.7 | 116.5 | 153.3 | -82.6 | 162 | -165.1 | 169.4 | 0 | 123.3 | ||||
| 345 | K | 33.1 | Very low | 31.6 | Very low | 196 Ų | 196 | 162.9 Ų | 162.9 | 85% | 0.852 | 79% | 0.791 | S | S | * | * | trans | -4.9 | 139.6 | 143.3 | -55.2 | 173.6 | 179.3 | 178.2 | 0 | 119.5 | ||||
| 346 | E | 28.2 | Very low | 32.1 | Very low | 196 Ų | 196 | 162.6 Ų | 162.6 | 92% | 0.916 | 79% | 0.789 | S | S | * | * | -147.3 | -173.8 | 125.5 | -136.4 | 179 | -172.8 | 0 | 0 | 112.8 | |||||
| 347 | I | 29.6 | Very low | 32.6 | Very low | 145 Ų | 145 | 162.7 Ų | 162.7 | 74% | 0.744 | 79% | 0.79 | S | S | * | * | trans | -141.1 | 161.1 | -158.6 | -65.8 | 175.4 | 0 | 0 | 0 | 111.4 | ||||
| 348 | K | 28.6 | Very low | 33.2 | Very low | 178 Ų | 178 | 162.2 Ų | 162.2 | 77% | 0.774 | 79% | 0.788 | S | S | * | * | trans | 93.7 | 125.2 | 157.9 | -98.8 | 162.2 | -177.9 | 171 | 0 | 119 | ||||
| 349 | K | 29.6 | Very low | 33.9 | Very low | 196 Ų | 196 | 167 Ų | 167 | 85% | 0.852 | 80% | 0.8 | S | S | * | * | trans | 52.1 | 113.4 | 142 | -69.3 | 179.3 | 174.5 | -174.2 | 0 | 119.2 | ||||
| 350 | E | 30.5 | Very low | 34.7 | Very low | 186 Ų | 186 | 169.5 Ų | 169.5 | 87% | 0.869 | 80% | 0.804 | S | S | * | * | trans | -139 | 126.1 | 142.1 | -157.6 | 172.8 | -144 | 0 | 0 | 110.7 | ||||
| 351 | K | 34.9 | Very low | 34.2 | Very low | 201 Ų | 201 | 170.9 Ų | 170.9 | 87% | 0.874 | 81% | 0.811 | S | S | * | * | trans | -172.1 | 136.5 | 169 | -119.3 | -177.9 | -177.2 | -178.6 | 0 | 108.6 | ||||
| 352 | K | 32.9 | Very low | 34.9 | Very low | 196 Ų | 196 | 171 Ų | 171 | 85% | 0.852 | 81% | 0.812 | S | S | * | * | trans | 69.6 | 136.2 | -145.2 | -51.2 | 174.9 | -179.1 | -175.7 | 0 | 109.7 | ||||
| 353 | E | 31.8 | Very low | 35.2 | Very low | 157 Ų | 157 | 167.5 Ų | 167.5 | 73% | 0.734 | 82% | 0.818 | S | S | * | * | cis | -123.6 | 166.6 | 5.4 | -56 | 175.9 | 97.9 | 0 | 0 | 111.7 | ||||
| 354 | K | 36.1 | Very low | 35.4 | Very low | 213 Ų | 213 | 171.7 Ų | 171.7 | 93% | 0.926 | 83% | 0.832 | S | S | * | * | -147.3 | 140.3 | 103 | -70 | -147.4 | 175.2 | -179.6 | 0 | 109.1 | |||||
| 355 | V | 39.1 | Very low | 35.6 | Very low | 114 Ų | 114 | 171.3 Ų | 171.3 | 69% | 0.691 | 83% | 0.83 | S | S | * | * | trans | -91.4 | 154 | -169.5 | 179.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 356 | S | 38.5 | Very low | 35.6 | Very low | 94 Ų | 94 | 169.4 Ų | 169.4 | 66% | 0.657 | 83% | 0.829 | S | S | * | * | trans | -63.1 | 131.9 | -179 | -172.4 | 0 | 0 | 0 | 0 | 112.8 | F358 | S356-F358 VanDerWaalsContact C-N 3.28Å; S356-F358 PolarHBondContact O-N 3.05Å; S356-F358 VanDerWaalsContact O-N 3.09Å | ||
| 357 | L | 40 | Very low | 35.8 | Very low | 168 Ų | 168 | 164.7 Ų | 164.7 | 88% | 0.88 | 82% | 0.818 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | 57.5 | -176.2 | -151.9 | 168.8 | 0 | 0 | 0 | 111.1 | ||
| 358 | F | 39.8 | Very low | 36 | Very low | 184 Ų | 184 | 165.4 Ų | 165.4 | 81% | 0.807 | 82% | 0.816 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134 | -7.7 | -177.6 | -103.9 | -80.7 | 0 | 0 | 0 | 116.3 | S356 R360 | S356-F358 VanDerWaalsContact C-N 3.28Å; S356-F358 PolarHBondContact O-N 3.05Å; S356-F358 VanDerWaalsContact O-N 3.09Å; F358-R360 PolarHBondContact O-N 3.26Å |
| 359 | E | 42.2 | Very low | 36.1 | Very low | 189 Ų | 189 | 167 Ų | 167 | 88% | 0.883 | 82% | 0.817 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.8 | 37.9 | -172.9 | -152.6 | 174.3 | -176.7 | 0 | 0 | 114 | ||
| 360 | R | 45.8 | Very low | 36 | Very low | 244 Ų | 244 | 161.7 Ų | 161.7 | 92% | 0.921 | 80% | 0.804 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.1 | 3.3 | 177.9 | -86.5 | -171.5 | -179.3 | 144.9 | 4.5 | 116.3 | F358 | F358-R360 PolarHBondContact O-N 3.26Š|
| 361 | V | 37.6 | Very low | 35.9 | Very low | 132 Ų | 132 | 157.9 Ų | 157.9 | 80% | 0.8 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -129.5 | 56.9 | -175.2 | -163.9 | 0 | 0 | 0 | 0 | 112.9 | ||
| 362 | T | 43.8 | Very low | 35.9 | Very low | 144 Ų | 144 | 156.6 Ų | 156.6 | 88% | 0.883 | 78% | 0.784 | S | S | * | * | trans | -168.4 | 76.4 | 145.2 | 43.2 | 0 | 0 | 0 | 0 | 109.8 | K364 | T362-K364 PolarHBondContact O-N 3.33Š| ||
| 363 | G | 35.8 | Very low | 35.9 | Very low | 83 Ų | 83 | 154.5 Ų | 154.5 | 86% | 0.856 | 78% | 0.781 | S | S | * | * | trans | -81.3 | 106.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 364 | K | 34.8 | Very low | 35.8 | Very low | 205 Ų | 205 | 152 Ų | 152 | 89% | 0.891 | 78% | 0.782 | S | S | * | * | trans | -150.3 | 117.5 | 156.2 | -125.6 | 174.1 | -175.1 | -178.4 | 0 | 113.7 | T362 | T362-K364 PolarHBondContact O-N 3.33Š| ||
| 365 | K | 35 | Very low | 35.6 | Very low | 177 Ų | 177 | 149.5 Ų | 149.5 | 77% | 0.77 | 78% | 0.778 | S | S | * | * | trans | -69.7 | 139.8 | 166 | 155.2 | -169.8 | 173 | -174.3 | 0 | 109.5 | ||||
| 366 | D | 33.4 | Very low | 35.1 | Very low | 155 Ų | 155 | 147.6 Ų | 147.6 | 83% | 0.829 | 78% | 0.782 | S | S | * | * | trans | -161.7 | 173.3 | 138.2 | -103.8 | -37 | 0 | 0 | 0 | 111.5 | ||||
| 367 | S | 32.4 | Very low | 34.7 | Very low | 97 Ų | 97 | 146.1 Ų | 146.1 | 68% | 0.678 | 78% | 0.782 | S | S | * | * | trans | -133.1 | 165.9 | -160.4 | -56.5 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 368 | K | 32.8 | Very low | 34.5 | Very low | 161 Ų | 161 | 143.5 Ų | 143.5 | 70% | 0.7 | 78% | 0.777 | S | S | * | * | trans | 84.1 | 125.3 | 141.3 | -171.6 | -179.6 | -176 | 178.6 | 0 | 118.5 | ||||
| 369 | R | 30.3 | Very low | 34.1 | Very low | 211 Ų | 211 | 141.8 Ų | 141.8 | 80% | 0.796 | 78% | 0.777 | S | S | * | * | trans | 67.2 | 162.7 | 160.4 | -76.8 | 173.7 | -175.1 | 172.2 | -3.9 | 117.1 | ||||
| 370 | S | 28.7 | Very low | 33.8 | Very low | 84 Ų | 84 | 138.2 Ų | 138.2 | 59% | 0.587 | 77% | 0.773 | S | S | * | * | cis | -174.7 | 172.6 | -40.6 | 53.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 371 | D | 29.2 | Very low | 33.2 | Very low | 107 Ų | 107 | 131.7 Ų | 131.7 | 57% | 0.572 | 76% | 0.764 | S | S | * | * | trans | 84.4 | 117.9 | 159.8 | -68.1 | -86.3 | 0 | 0 | 0 | 120.9 | ||||
| 372 | K | 33.9 | Very low | 33.2 | Very low | 173 Ų | 173 | 131.4 Ų | 131.4 | 75% | 0.752 | 76% | 0.763 | S | S | * | * | trans | 72 | 143.8 | 133.2 | -67.1 | -179.1 | 178.9 | 93.5 | 0 | 117.8 | ||||
| 373 | L | 32.7 | Very low | 32.5 | Very low | 152 Ų | 152 | 131.9 Ų | 131.9 | 80% | 0.796 | 76% | 0.76 | S | S | * | * | cis | -158.5 | 169.1 | 14.5 | -127.3 | 162.1 | 0 | 0 | 0 | 111 | ||||
| 374 | S | 29.8 | Very low | 32.4 | Very low | 106 Ų | 106 | 135 Ų | 135 | 74% | 0.741 | 76% | 0.757 | S | S | * | * | trans | 74.3 | 140.3 | 154.8 | 178.8 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 375 | N | 31.8 | Very low | 32.2 | Very low | 159 Ų | 159 | 134.1 Ų | 134.1 | 85% | 0.85 | 75% | 0.752 | S | S | * | * | cis | -166.3 | 154.6 | -28.1 | -159.1 | 15.8 | 0 | 0 | 0 | 111.2 | ||||
| 376 | G | 29.7 | Very low | 32.1 | Very low | 74 Ų | 74 | 131 Ų | 131 | 76% | 0.763 | 75% | 0.753 | S | S | * | * | trans | 83 | 144.6 | 166.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 377 | G | 28.9 | Very low | 32.6 | Very low | 64 Ų | 64 | 129.4 Ų | 129.4 | 66% | 0.66 | 75% | 0.751 | S | S | * | * | cis | 170.9 | 150.8 | -8.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 378 | S | 36.7 | Very low | 32.6 | Very low | 112 Ų | 112 | 130.7 Ų | 130.7 | 78% | 0.783 | 76% | 0.76 | S | S | * | * | trans | 55.6 | 148.5 | 168.8 | 47.5 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 379 | D | 31 | Very low | 32.6 | Very low | 149 Ų | 149 | 126.9 Ų | 126.9 | 80% | 0.797 | 76% | 0.758 | S | S | * | * | cis | -162.2 | 167.1 | -16.4 | -101.7 | -32.5 | 0 | 0 | 0 | 111 | ||||
| 380 | S | 35.1 | Very low | 32.5 | Very low | 114 Ų | 114 | 127.1 Ų | 127.1 | 80% | 0.797 | 77% | 0.766 | S | S | * | * | trans | 65.4 | 138.8 | 174.9 | 70.9 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 381 | S | 33.8 | Very low | 32.5 | Very low | 107 Ų | 107 | 126 Ų | 126 | 75% | 0.748 | 77% | 0.767 | S | S | * | * | cis | 91.6 | 92.6 | 16.8 | -170.5 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 382 | T | 37.5 | Very low | 32.5 | Very low | 125 Ų | 125 | 129.9 Ų | 129.9 | 77% | 0.767 | 78% | 0.782 | S | S | * | * | -167 | 134 | 110.5 | 32.5 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 383 | D | 30.3 | Very low | 32.3 | Very low | 155 Ų | 155 | 127.4 Ų | 127.4 | 83% | 0.829 | 78% | 0.782 | S | S | * | * | trans | 54.5 | 139.9 | 148.2 | -71.1 | -50 | 0 | 0 | 0 | 126.4 | ||||
| 384 | L | 32.7 | Very low | 32.2 | Very low | 149 Ų | 149 | 129 Ų | 129 | 78% | 0.78 | 79% | 0.785 | S | S | * | * | trans | -90.8 | 176.3 | 160.5 | -55.1 | 163.9 | 0 | 0 | 0 | 107.5 | ||||
| 385 | K | 30.4 | Very low | 32.2 | Very low | 185 Ų | 185 | 131.8 Ų | 131.8 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | cis | -173 | 153.9 | 32.3 | -137.9 | 159.4 | -176.5 | 177.2 | 0 | 104.8 | ||||
| 386 | S | 33.3 | Very low | 32 | Very low | 111 Ų | 111 | 132 Ų | 132 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | 176.8 | 162.5 | 85.9 | 54.2 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 387 | P | 43.2 | Very low | 31.9 | Very low | 123 Ų | 123 | 133 Ų | 133 | 80% | 0.799 | 78% | 0.778 | S | S | * | * | trans | -102.2 | 170.1 | 173.9 | 39.1 | -33.7 | 0 | 0 | 0 | 114.3 | ||||
| 388 | S | 32.1 | Very low | 31.9 | Very low | 124 Ų | 124 | 138.5 Ų | 138.5 | 87% | 0.867 | 78% | 0.784 | S | S | * | * | trans | -80.9 | 163 | -174.7 | -23.6 | 0 | 0 | 0 | 0 | 116 | ||||
| 389 | A | 32.8 | Very low | 31.7 | Very low | 80 Ų | 80 | 139.9 Ų | 139.9 | 66% | 0.661 | 78% | 0.782 | S | S | * | * | trans | -174.5 | 162.3 | 139 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 390 | F | 28.6 | Very low | 31.6 | Very low | 217 Ų | 217 | 141.7 Ų | 141.7 | 95% | 0.952 | 78% | 0.779 | S | S | * | * | trans | 67.4 | 142.2 | 175.8 | -64.1 | -90.6 | 0 | 0 | 0 | 117.6 | ||||
| 391 | G | 29.1 | Very low | 31.4 | Very low | 60 Ų | 60 | 143.5 Ų | 143.5 | 62% | 0.619 | 78% | 0.78 | S | S | * | * | cis | 167.4 | 157.5 | -8.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 392 | E | 29.9 | Very low | 31.5 | Very low | 188 Ų | 188 | 141.9 Ų | 141.9 | 88% | 0.879 | 77% | 0.768 | S | S | * | * | trans | 69.4 | 147.4 | 172.4 | -54 | -167.4 | 145.2 | 0 | 0 | 117.1 | ||||
| 393 | T | 30.1 | Very low | 31.6 | Very low | 122 Ų | 122 | 142.6 Ų | 142.6 | 75% | 0.748 | 77% | 0.773 | S | S | * | * | cis | -146.1 | 175.7 | -10.2 | 4.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 394 | H | 30.1 | Very low | 31.7 | Very low | 185 Ų | 185 | 142.1 Ų | 142.1 | 86% | 0.856 | 77% | 0.77 | S | S | * | * | trans | -59.4 | 148 | -176.2 | -78.1 | -120.9 | 0 | 0 | 0 | 116.1 | ||||
| 395 | Q | 30 | Very low | 32.2 | Very low | 165 Ų | 165 | 139.7 Ų | 139.7 | 77% | 0.771 | 76% | 0.764 | S | S | * | * | -162.1 | 163.9 | 97.8 | -156.4 | 141 | 7.7 | 0 | 0 | 113.1 | |||||
| 396 | E | 27.9 | Very low | 32.1 | Very low | 162 Ų | 162 | 139.5 Ų | 139.5 | 76% | 0.757 | 76% | 0.763 | S | S | * | * | trans | -34.5 | 160.7 | 179.5 | -65.4 | 139.9 | -126.7 | 0 | 0 | 118.8 | ||||
| 397 | S | 27.6 | Very low | 32.1 | Very low | 97 Ų | 97 | 141.8 Ų | 141.8 | 68% | 0.678 | 77% | 0.765 | S | S | * | * | cis | -171.7 | 145.2 | -19.2 | 173.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 398 | F | 29 | Very low | 31.7 | Very low | 179 Ų | 179 | 141.1 Ų | 141.1 | 79% | 0.785 | 76% | 0.759 | S | S | * | * | trans | -10.3 | 147.5 | 164.3 | -57.9 | -81.5 | 0 | 0 | 0 | 119.6 | ||||
| 399 | D | 30.9 | Very low | 31.6 | Very low | 141 Ų | 141 | 142.1 Ų | 142.1 | 75% | 0.754 | 75% | 0.754 | S | S | * | * | cis | -158.8 | 171.6 | 28.5 | -134.7 | -22.6 | 0 | 0 | 0 | 117.5 | ||||
| 400 | Y | 29.5 | Very low | 31.7 | Very low | 187 Ų | 187 | 147.9 Ų | 147.9 | 73% | 0.733 | 77% | 0.765 | S | S | * | * | trans | -31.7 | 138.5 | 168.4 | -153 | -101.7 | 0 | 0 | 0 | 119.6 | ||||
| 401 | D | 29.9 | Very low | 31.8 | Very low | 152 Ų | 152 | 147.5 Ų | 147.5 | 81% | 0.813 | 76% | 0.763 | S | S | * | * | -152.1 | 153.1 | 119.8 | -156 | 1.7 | 0 | 0 | 0 | 111.7 | |||||
| 402 | S | 36.3 | Very low | 32.4 | Very low | 72 Ų | 72 | 149.9 Ų | 149.9 | 50% | 0.503 | 77% | 0.767 | S | S | . | * | trans | -117.2 | 112.9 | -174.7 | -71.5 | 0 | 0 | 0 | 0 | 112.9 | N404 | S402-N404 PolarHBondContact O-N 3.16Š| ||
| 403 | T | 39.3 | Very low | 32.3 | Very low | 140 Ų | 140 | 147.5 Ų | 147.5 | 86% | 0.859 | 77% | 0.766 | S | S | * | * | trans | -46.4 | 126.2 | 179 | -53.4 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 404 | N | 33.8 | Very low | 32.3 | Very low | 145 Ų | 145 | 146 Ų | 146 | 78% | 0.775 | 76% | 0.761 | S | S | * | * | trans | -126.7 | 112.2 | 169.9 | -150.2 | -21.5 | 0 | 0 | 0 | 109.7 | S402 F406 | S402-N404 PolarHBondContact O-N 3.16Å; N404-F406 PolarHBondContact O-N 3.38Å; N404-F406 VanDerWaalsContact O-N 3.11Å | ||
| 405 | P | 42.1 | Very low | 32.3 | Very low | 99 Ų | 99 | 146.1 Ų | 146.1 | 64% | 0.643 | 76% | 0.763 | S | S | * | * | trans | -94.7 | 65.6 | -149.7 | 37.4 | -39.7 | 0 | 0 | 0 | 115 | ||||
| 406 | F | 29.6 | Very low | 32.4 | Very low | 180 Ų | 180 | 146 Ų | 146 | 79% | 0.789 | 77% | 0.767 | S | S | * | * | trans | -138.7 | 133.2 | 171.5 | -74.9 | -76.7 | 0 | 0 | 0 | 113.6 | N404 | N404-F406 PolarHBondContact O-N 3.38Å; N404-F406 VanDerWaalsContact O-N 3.11Å | ||
| 407 | I | 32.1 | Very low | 33.6 | Very low | 160 Ų | 160 | 143.6 Ų | 143.6 | 82% | 0.821 | 77% | 0.766 | S | S | * | * | trans | 70.5 | 139.8 | -179.5 | -32.5 | 180 | 0 | 0 | 0 | 109 | ||||
| 408 | T | 34.8 | Very low | 33.6 | Very low | 109 Ų | 109 | 144.3 Ų | 144.3 | 67% | 0.669 | 77% | 0.771 | S | S | * | * | cis | -152 | 157 | 41.3 | 90.1 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 409 | N | 31.5 | Very low | 33.6 | Very low | 145 Ų | 145 | 140.7 Ų | 140.7 | 78% | 0.775 | 77% | 0.768 | S | S | * | * | trans | 65.6 | 117.1 | 140.8 | -59.6 | -25.3 | 0 | 0 | 0 | 123 | ||||
| 410 | F | 33.2 | Very low | 33.5 | Very low | 201 Ų | 201 | 137.4 Ų | 137.4 | 88% | 0.882 | 76% | 0.756 | S | S | * | * | trans | -68.2 | 147.4 | 148.8 | -96.3 | -107.4 | 0 | 0 | 0 | 112.2 | ||||
| 411 | K | 31.7 | Very low | 33.5 | Very low | 209 Ų | 209 | 138.5 Ų | 138.5 | 91% | 0.909 | 76% | 0.76 | S | S | * | * | trans | -158.5 | 130.8 | 136.8 | -118.9 | 176.7 | -177 | -179.5 | 0 | 111.8 | ||||
| 412 | P | 41.2 | Very low | 33.5 | Very low | 109 Ų | 109 | 137.9 Ų | 137.9 | 71% | 0.708 | 76% | 0.757 | S | S | * | * | trans | -101.6 | 144 | -177.4 | 37.1 | -33.3 | 0 | 0 | 0 | 113.9 | ||||
| 413 | T | 28.3 | Very low | 33.2 | Very low | 138 Ų | 138 | 142 Ų | 142 | 85% | 0.847 | 77% | 0.77 | S | S | * | * | trans | 179.7 | 136.3 | 166 | -76 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 414 | S | 29.2 | Very low | 32.9 | Very low | 92 Ų | 92 | 142.4 Ų | 142.4 | 64% | 0.643 | 77% | 0.767 | S | S | * | * | cis | -167.6 | 176.1 | -16.3 | 55.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 415 | M | 30.5 | Very low | 33.7 | Very low | 186 Ų | 186 | 140.8 Ų | 140.8 | 92% | 0.916 | 76% | 0.764 | S | S | * | * | trans | 87 | 136.3 | 166.4 | -52.1 | -164.7 | -179.2 | 0 | 0 | 119.4 | ||||
| 416 | L | 32.7 | Very low | 33.1 | Very low | 163 Ų | 163 | 141.8 Ų | 141.8 | 85% | 0.853 | 77% | 0.774 | S | S | * | * | trans | -113.1 | -178.4 | 169 | -79.6 | 169.5 | 0 | 0 | 0 | 107 | ||||
| 417 | P | 52.9 | Low | 33.1 | Very low | 111 Ų | 111 | 136.9 Ų | 136.9 | 72% | 0.721 | 77% | 0.774 | S | S | * | * | cis | -132.4 | 171.8 | -28.8 | 29.7 | -11.1 | 0 | 0 | 0 | 113.4 | ||||
| 418 | S | 27.3 | Very low | 33.2 | Very low | 113 Ų | 113 | 136.7 Ų | 136.7 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | trans | -158.7 | 135.2 | 143.3 | -82.9 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 419 | S | 28.9 | Very low | 33.3 | Very low | 103 Ų | 103 | 140 Ų | 140 | 72% | 0.72 | 78% | 0.781 | S | S | * | * | 66.9 | 118.9 | 58.2 | -170.9 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 420 | S | 28.2 | Very low | 33.3 | Very low | 72 Ų | 72 | 140 Ų | 140 | 50% | 0.503 | 78% | 0.781 | S | S | . | * | cis | -167.7 | -164.2 | -4.4 | 32.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 421 | Y | 31.3 | Very low | 33.8 | Very low | 209 Ų | 209 | 137.9 Ų | 137.9 | 82% | 0.82 | 78% | 0.778 | S | S | * | * | trans | 87.8 | 96 | 162.9 | -43.7 | -63.1 | 0 | 0 | 0 | 120.8 | ||||
| 422 | N | 30 | Very low | 33.7 | Very low | 140 Ų | 140 | 139 Ų | 139 | 75% | 0.749 | 78% | 0.777 | S | S | * | * | 19.9 | 116.5 | 118.8 | -83.4 | -6.1 | 0 | 0 | 0 | 119.6 | |||||
| 423 | M | 29.6 | Very low | 33.7 | Very low | 158 Ų | 158 | 143.7 Ų | 143.7 | 78% | 0.778 | 79% | 0.786 | S | S | * | * | 175.1 | 160.9 | 99.7 | -97.1 | -59 | 129.5 | 0 | 0 | 113.9 | |||||
| 424 | N | 31.8 | Very low | 33.7 | Very low | 148 Ų | 148 | 143.4 Ų | 143.4 | 79% | 0.791 | 78% | 0.784 | S | S | * | * | trans | -87.1 | -174.3 | 169.4 | -56.7 | -39.5 | 0 | 0 | 0 | 110.2 | ||||
| 425 | P | 51.7 | Low | 33.9 | Very low | 111 Ų | 111 | 146.7 Ų | 146.7 | 72% | 0.721 | 79% | 0.791 | S | S | * | * | cis | -136.9 | -171.8 | -3.5 | 40.1 | -20.4 | 0 | 0 | 0 | 115.6 | ||||
| 426 | S | 29.4 | Very low | 34.1 | Very low | 120 Ų | 120 | 144.7 Ų | 144.7 | 84% | 0.839 | 78% | 0.784 | S | S | * | * | trans | 66.1 | 130.6 | 150 | 61.9 | 0 | 0 | 0 | 0 | 121 | ||||
| 427 | G | 28.1 | Very low | 34.2 | Very low | 78 Ų | 78 | 140.7 Ų | 140.7 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | trans | 174.7 | 118.9 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 428 | I | 34.5 | Very low | 33.7 | Very low | 156 Ų | 156 | 140.8 Ų | 140.8 | 80% | 0.8 | 78% | 0.777 | S | S | * | * | trans | -79.6 | 144.6 | -172.8 | -76.2 | 171.7 | 0 | 0 | 0 | 111.8 | ||||
| 429 | E | 38 | Very low | 34.7 | Very low | 179 Ų | 179 | 141.6 Ų | 141.6 | 84% | 0.836 | 78% | 0.779 | S | S | * | * | trans | 18.7 | 123.6 | 159.6 | -59.9 | 170.9 | 139.3 | 0 | 0 | 120.3 | ||||
| 430 | D | 30.7 | Very low | 35.3 | Very low | 143 Ų | 143 | 144.1 Ų | 144.1 | 77% | 0.765 | 78% | 0.777 | S | S | * | * | -159.3 | 96.3 | 121.1 | -142.1 | -8.4 | 0 | 0 | 0 | 116 | R432 | D430-R432 PolarHBondContact O-N 3.34Š| |||
| 431 | L | 44.2 | Very low | 36.4 | Very low | 157 Ų | 157 | 144.8 Ų | 144.8 | 82% | 0.822 | 78% | 0.775 | S | S | * | * | trans | 33.1 | 70.8 | 133.7 | -143.4 | 170.1 | 0 | 0 | 0 | 120.5 | ||||
| 432 | R | 30.1 | Very low | 37.7 | Very low | 234 Ų | 234 | 138.2 Ų | 138.2 | 88% | 0.883 | 77% | 0.765 | S | S | * | * | trans | -137.7 | 90.2 | 164.8 | -69.1 | -166.5 | -178.2 | 170.6 | 5.8 | 117.4 | D430 | D430-R432 PolarHBondContact O-N 3.34Š| ||
| 433 | K | 39.9 | Very low | 39.1 | Very low | 207 Ų | 207 | 135.9 Ų | 135.9 | 90% | 0.9 | 76% | 0.755 | S | S | * | * | trans | 10.8 | 105.2 | 142.1 | -174.6 | -174.9 | 177.6 | 179.9 | 0 | 118.8 | ||||
| 434 | T | 28.1 | Very low | 40.7 | Very low | 132 Ų | 132 | 130.5 Ų | 130.5 | 81% | 0.81 | 74% | 0.736 | S | S | * | * | trans | -137.3 | 113.5 | 144.9 | 45.3 | 0 | 0 | 0 | 0 | 107 | ||||
| 435 | M | 34.5 | Very low | 42.1 | Very low | 161 Ų | 161 | 126.1 Ų | 126.1 | 79% | 0.793 | 73% | 0.726 | S | S | * | * | 75.5 | 103.4 | 70.8 | -159.3 | 163.9 | 90.6 | 0 | 0 | 113.2 | |||||
| 436 | D | 35 | Very low | 42.7 | Very low | 144 Ų | 144 | 125.8 Ų | 125.8 | 77% | 0.77 | 71% | 0.711 | S | S | * | * | trans | 52.1 | 70.3 | 153.4 | -50.2 | -24.7 | 0 | 0 | 0 | 118 | N438 | D436-N438 PolarHBondContact O-N 3.04Š| ||
| 437 | G | 35 | Very low | 44.6 | Very low | 79 Ų | 79 | 129.1 Ų | 129.1 | 81% | 0.814 | 71% | 0.705 | S | S | * | * | trans | -61.5 | 96.6 | 155.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | P439 | G437-P439 WeakPolarHBondContact O-CD 3.41Š| ||
| 438 | N | 41.8 | Very low | 46.8 | Very low | 113 Ų | 113 | 131.9 Ų | 131.9 | 60% | 0.604 | 70% | 0.702 | S | S | * | * | trans | -53 | 118.1 | -175.5 | -178.1 | 11.1 | 0 | 0 | 0 | 111.8 | D436 F440 D441 | D436-N438 PolarHBondContact O-N 3.04Å; N438-F440 PolarHBondContact O-N 2.81Å; N438-F440 PolarHBondContact OD1-N 3.31Å; N438-D441 PolarHBondContact O-N 2.84Å | ||
| 439 | P | 49 | Very low | 48.7 | Very low | 130 Ų | 130 | 128 Ų | 128 | 84% | 0.844 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.7 | -3.3 | -177 | -25 | 35.1 | 0 | 0 | 0 | 115.8 | G437 | G437-P439 WeakPolarHBondContact O-CD 3.41Š|
| 440 | F | 41 | Very low | 50.9 | Low | 155 Ų | 155 | 123.3 Ų | 123.3 | 68% | 0.68 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.3 | 5.7 | -175.9 | -109.9 | -85.3 | 0 | 0 | 0 | 115.4 | M156 N438 A442 | M156-F440 HydrophobicContact SD-CZ 4Å; N438-F440 PolarHBondContact O-N 2.81Å; N438-F440 PolarHBondContact OD1-N 3.31Å; F440-A442 VanDerWaalsContact C-N 3.32Å; F440-A442 PolarHBondContact O-N 2.76Å |
| 441 | D | 50.8 | Low | 53.3 | Low | 86 Ų | 86 | 126.2 Ų | 126.2 | 46% | 0.46 | 67% | 0.667 | S | S | . | * | trans | -74.1 | 83 | 177.4 | -174.5 | 28.9 | 0 | 0 | 0 | 112.9 | N438 T443 A444 | N438-D441 PolarHBondContact O-N 2.84Å; D441-T443 PolarHBondContact O-N 2.98Å; D441-T443 VanDerWaalsContact O-N 3.08Å; D441-T443 WeakPolarHBondContact OD1-CA 3.28Å; D441-T443 WeakPolarHBondContact OD1-CB 3.37Å; D441-T443 PolarHBondContact OD1-N 2.87Å; D441-T443 PolarHBondContact OD1-OG1 3.36Å; D441-A444 WeakPolarHBondContact O-CB 3.25Å; D441-A444 PolarHBondContact O-N 2.93Å; D441-A444 VanDerWaalsContact O-N 3.1Å; D441-A444 PolarHBondContact OD2-N 2.99Å | ||
| 442 | A | 58.6 | Low | 55.4 | Low | 72 Ų | 72 | 125.9 Ų | 125.9 | 60% | 0.595 | 66% | 0.662 | S | S | * | * | G | 310 helix | trans | -60.2 | -13.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | F440 A444 Y446 | F440-A442 VanDerWaalsContact C-N 3.32Å; F440-A442 PolarHBondContact O-N 2.76Å; A442-A444 VanDerWaalsContact C-N 3.33Å; A442-Y446 WeakPolarHBondContact O-CD2 3.49Å |
| 443 | T | 59.8 | Low | 58 | Low | 90 Ų | 90 | 118.8 Ų | 118.8 | 55% | 0.552 | 64% | 0.639 | S | S | * | * | G | 310 helix | trans | -73.5 | -24.9 | 175.6 | -27.1 | 0 | 0 | 0 | 0 | 112.1 | D441 G445 Y446 R447 | D441-T443 PolarHBondContact O-N 2.98Å; D441-T443 VanDerWaalsContact O-N 3.08Å; D441-T443 WeakPolarHBondContact OD1-CA 3.28Å; D441-T443 WeakPolarHBondContact OD1-CB 3.37Å; D441-T443 PolarHBondContact OD1-N 2.87Å; D441-T443 PolarHBondContact OD1-OG1 3.36Å; T443-G445 PolarHBondContact O-N 3.44Å; T443-G445 VanDerWaalsContact O-N 3.11Å; T443-Y446 PolarHBondContact O-N 2.83Å; T443-R447 PolarHBondContact O-N 2.87Å |
| 444 | A | 62.2 | Low | 60.1 | Low | 45 Ų | 45 | 111.2 Ų | 111.2 | 37% | 0.372 | 61% | 0.609 | S | S | . | * | G | 310 helix | trans | -60.8 | -23.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | D441 A442 R447 | D441-A444 WeakPolarHBondContact O-CB 3.25Å; D441-A444 PolarHBondContact O-N 2.93Å; D441-A444 VanDerWaalsContact O-N 3.1Å; D441-A444 PolarHBondContact OD2-N 2.99Å; A442-A444 VanDerWaalsContact C-N 3.33Å; A444-R447 WeakPolarHBondContact O-CG 3.34Å; A444-R447 PolarHBondContact O-NE 3.01Å |
| 445 | G | 61.5 | Low | 63 | Low | 56 Ų | 56 | 109.1 Ų | 109.1 | 58% | 0.577 | 59% | 0.593 | S | S | * | * | G | 310 helix | trans | -80.3 | -22.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | T443 L449 | T443-G445 PolarHBondContact O-N 3.44Å; T443-G445 VanDerWaalsContact O-N 3.11Å; G445-L449 WeakPolarHBondContact O-CD1 3.43Å |
| 446 | Y | 64.1 | Low | 65.5 | Low | 104 Ų | 104 | 107.9 Ų | 107.9 | 41% | 0.408 | 59% | 0.585 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -103.8 | -16.5 | -176.5 | -61.3 | -81.4 | 0 | 0 | 0 | 113.7 | A442 T443 N448 L449 V454 | A442-Y446 WeakPolarHBondContact O-CD2 3.49Å; T443-Y446 PolarHBondContact O-N 2.83Å; Y446-N448 PolarHBondContact O-N 2.91Å; Y446-L449 HydrophobicContact CD1-CD1 4.42Å; Y446-L449 PolarHBondContact O-N 3.48Å; Y446-V454 HydrophobicContact CD1-CG1 4.33Å; Y446-V454 HydrophobicContact CD1-CG2 4.22Å |
| 447 | R | 69.3 | Low | 68 | Low | 190 Ų | 190 | 103.7 Ų | 103.7 | 72% | 0.717 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.9 | -17.4 | -176.6 | 71.3 | -177.9 | 174.3 | 159.4 | 5.4 | 116.4 | T443 A444 | T443-R447 PolarHBondContact O-N 2.87Å; A444-R447 WeakPolarHBondContact O-CG 3.34Å; A444-R447 PolarHBondContact O-NE 3.01Å |
| 448 | N | 75 | Confident | 70.5 | Confident | 137 Ų | 137 | 105 Ų | 105 | 73% | 0.733 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.6 | -3.2 | -178.2 | -71.6 | -3.8 | 0 | 0 | 0 | 113.4 | Y446 | Y446-N448 PolarHBondContact O-N 2.91Š|
| 449 | L | 74.7 | Confident | 72.9 | Confident | 75 Ų | 75 | 103.4 Ų | 103.4 | 39% | 0.393 | 54% | 0.543 | S | S | . | . | S | Bend | trans | -98.7 | 145.9 | -178.1 | -72.6 | 123.7 | 0 | 0 | 0 | 110.9 | G445 Y446 E453 V454 | G445-L449 WeakPolarHBondContact O-CD1 3.43Å; Y446-L449 HydrophobicContact CD1-CD1 4.42Å; Y446-L449 PolarHBondContact O-N 3.48Å; L449-E453 HydrophobicContact CB-CB 4.26Å; L449-E453 HydrophobicContact CD2-CB 3.62Å; L449-E453 HydrophobicContact CD2-CG 4.41Å; L449-V454 HydrophobicContact CB-CG2 3.69Å |
| 450 | T | 84.4 | Confident | 74.9 | Confident | 80 Ų | 80 | 101.7 Ų | 101.7 | 49% | 0.491 | 52% | 0.522 | S | S | . | . | trans | -69.3 | 160 | 171.4 | 65.3 | 0 | 0 | 0 | 0 | 111.3 | E452 E453 V454 | T450-E452 PolarHBondContact O-N 3.4Å; T450-E452 VanDerWaalsContact O-N 3.17Å; T450-E453 VanDerWaalsContact CB-OE2 3.29Å; T450-E453 WeakPolarHBondContact CB-OE2 3.47Å; T450-E453 WeakPolarHBondContact CG2-OE2 3.18Å; T450-E453 PolarHBondContact N-OE2 2.95Å; T450-E453 PolarHBondContact O-N 2.82Å; T450-E453 VanDerWaalsContact OG1-CD 3.32Å; T450-E453 WeakPolarHBondContact OG1-CG 3.48Å; T450-E453 PolarHBondContact OG1-N 2.92Å; T450-E453 PolarHBondContact OG1-OE2 3.41Å; T450-V454 WeakPolarHBondContact O-CG2 3.35Å; T450-V454 PolarHBondContact O-N 3.43Å | ||
| 451 | Y | 80.6 | Confident | 77.1 | Confident | 203 Ų | 203 | 97.7 Ų | 97.7 | 80% | 0.796 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -54.8 | -34.8 | 178.1 | 178.5 | -98.6 | 0 | 0 | 0 | 113.1 | L455 | Y451-L455 WeakPolarHBondContact O-CB 3.13Å; Y451-L455 PolarHBondContact O-N 2.74Å; Y451-L455 VanDerWaalsContact O-N 3.09Å |
| 452 | E | 87.1 | Confident | 78.9 | Confident | 151 Ų | 151 | 99.9 Ų | 99.9 | 71% | 0.706 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -73.5 | -43.4 | -179.7 | -171.4 | 164.6 | -168 | 0 | 0 | 112.2 | T450 L455 Q456 | T450-E452 PolarHBondContact O-N 3.4Å; T450-E452 VanDerWaalsContact O-N 3.17Å; E452-L455 WeakPolarHBondContact O-CB 3.43Å; E452-L455 PolarHBondContact O-N 2.91Å; E452-Q456 WeakPolarHBondContact O-CB 3.42Å; E452-Q456 PolarHBondContact O-N 2.92Å |
| 453 | E | 85.5 | Confident | 80.5 | Confident | 85 Ų | 85 | 101.1 Ų | 101.1 | 40% | 0.397 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.1 | -39.6 | 175.1 | -65.7 | 162.8 | 119.9 | 0 | 0 | 111.9 | L449 T450 L455 Q456 E457 | L449-E453 HydrophobicContact CB-CB 4.26Å; L449-E453 HydrophobicContact CD2-CB 3.62Å; L449-E453 HydrophobicContact CD2-CG 4.41Å; T450-E453 VanDerWaalsContact CB-OE2 3.29Å; T450-E453 WeakPolarHBondContact CB-OE2 3.47Å; T450-E453 WeakPolarHBondContact CG2-OE2 3.18Å; T450-E453 PolarHBondContact N-OE2 2.95Å; T450-E453 PolarHBondContact O-N 2.82Å; T450-E453 VanDerWaalsContact OG1-CD 3.32Å; T450-E453 WeakPolarHBondContact OG1-CG 3.48Å; T450-E453 PolarHBondContact OG1-N 2.92Å; T450-E453 PolarHBondContact OG1-OE2 3.41Å; E453-L455 VanDerWaalsContact C-N 3.31Å; E453-L455 PolarHBondContact O-N 2.94Å; E453-Q456 PolarHBondContact O-N 2.82Å; E453-E457 WeakPolarHBondContact O-CB 3.36Å; E453-E457 PolarHBondContact O-N 2.83Å |
| 454 | V | 84.6 | Confident | 81.7 | Confident | 47 Ų | 47 | 101 Ų | 101 | 29% | 0.285 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.4 | -39.9 | 174 | 176.2 | 0 | 0 | 0 | 0 | 111 | Y446 L449 T450 L458 | Y446-V454 HydrophobicContact CD1-CG1 4.33Å; Y446-V454 HydrophobicContact CD1-CG2 4.22Å; L449-V454 HydrophobicContact CB-CG2 3.69Å; T450-V454 WeakPolarHBondContact O-CG2 3.35Å; T450-V454 PolarHBondContact O-N 3.43Å; V454-L458 VanDerWaalsContact O-CB 3.31Å; V454-L458 WeakPolarHBondContact O-CB 3.22Å; V454-L458 PolarHBondContact O-N 3.41Å |
| 455 | L | 89.1 | Confident | 82.9 | Confident | 88 Ų | 88 | 103.7 Ų | 103.7 | 46% | 0.461 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.9 | -42.3 | 175.1 | -179.6 | 62.4 | 0 | 0 | 0 | 111.6 | Y451 E452 E453 L458 V459 | Y451-L455 WeakPolarHBondContact O-CB 3.13Å; Y451-L455 PolarHBondContact O-N 2.74Å; Y451-L455 VanDerWaalsContact O-N 3.09Å; E452-L455 WeakPolarHBondContact O-CB 3.43Å; E452-L455 PolarHBondContact O-N 2.91Å; E453-L455 VanDerWaalsContact C-N 3.31Å; E453-L455 PolarHBondContact O-N 2.94Å; L455-L458 PolarHBondContact O-N 3.39Å; L455-V459 WeakPolarHBondContact O-CG2 3.26Å; L455-V459 PolarHBondContact O-N 2.81Å |
| 456 | Q | 87.4 | Confident | 84.3 | Confident | 136 Ų | 136 | 107.1 Ų | 107.1 | 64% | 0.636 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.2 | -45.4 | 177.5 | -171.2 | 177.5 | 11.4 | 0 | 0 | 111.8 | E452 E453 L458 V459 K460 | E452-Q456 WeakPolarHBondContact O-CB 3.42Å; E452-Q456 PolarHBondContact O-N 2.92Å; E453-Q456 PolarHBondContact O-N 2.82Å; Q456-L458 VanDerWaalsContact C-N 3.32Å; Q456-L458 PolarHBondContact O-N 3.4Å; Q456-V459 PolarHBondContact O-N 2.95Å; Q456-K460 WeakPolarHBondContact O-CB 3.36Å; Q456-K460 PolarHBondContact O-N 3.36Å |
| 457 | E | 86 | Confident | 85.7 | Confident | 56 Ų | 56 | 108 Ų | 108 | 26% | 0.262 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.4 | -33.4 | 177.9 | -162.8 | 62.4 | -150.4 | 0 | 0 | 111.6 | E453 K460 H461 | E453-E457 WeakPolarHBondContact O-CB 3.36Å; E453-E457 PolarHBondContact O-N 2.83Å; E457-K460 PolarHBondContact O-N 2.9Å; E457-K460 WeakPolarHBondContact OE1-CE 3.25Å; E457-K460 IonicContact OE1-NZ 2.69Å; E457-K460 PolarHBondContact OE1-NZ 3.05Å; E457-K460 WeakPolarHBondContact OE2-CD 3.45Å; E457-K460 IonicContact OE2-NZ 2.68Å; E457-K460 PolarHBondContact OE2-NZ 2.79Å; E457-H461 WeakPolarHBondContact O-CB 3.1Å; E457-H461 VanDerWaalsContact O-CG 3.31Å; E457-H461 PolarHBondContact O-N 3.03Å; E457-H461 PolarHBondContact O-ND1 3.1Å; E457-H461 IonicContact OE1-CE1 3.99Å; E457-H461 IonicContact OE1-NE2 2.95Å |
| 458 | L | 88 | Confident | 86.7 | Confident | 105 Ų | 105 | 104.8 Ų | 104.8 | 55% | 0.55 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.7 | -42.5 | 172.3 | -168.6 | 159.4 | 0 | 0 | 0 | 111.8 | V454 L455 Q456 H461 K462 | V454-L458 VanDerWaalsContact O-CB 3.31Å; V454-L458 WeakPolarHBondContact O-CB 3.22Å; V454-L458 PolarHBondContact O-N 3.41Å; L455-L458 PolarHBondContact O-N 3.39Å; Q456-L458 VanDerWaalsContact C-N 3.32Å; Q456-L458 PolarHBondContact O-N 3.4Å; L458-H461 PolarHBondContact O-N 3.07Å; L458-K462 VanDerWaalsContact O-CB 3.32Å; L458-K462 WeakPolarHBondContact O-CB 3.43Å; L458-K462 PolarHBondContact O-N 2.84Å |
| 459 | V | 91.8 | Very high | 87.4 | Confident | 80 Ų | 80 | 101.9 Ų | 101.9 | 49% | 0.485 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63 | -44.1 | 174.3 | 169.7 | 0 | 0 | 0 | 0 | 111.1 | L455 Q456 K462 E463 | L455-V459 WeakPolarHBondContact O-CG2 3.26Å; L455-V459 PolarHBondContact O-N 2.81Å; Q456-V459 PolarHBondContact O-N 2.95Å; V459-K462 WeakPolarHBondContact O-CB 3.24Å; V459-K462 PolarHBondContact O-N 3.14Å; V459-E463 PolarHBondContact O-N 2.79Å |
| 460 | K | 91.1 | Very high | 88.4 | Confident | 95 Ų | 95 | 102.4 Ų | 102.4 | 41% | 0.413 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.9 | -45.7 | 176.1 | 175.7 | 177.8 | 161.8 | -139.7 | 0 | 112.3 | Q456 E457 K462 E463 Q464 | Q456-K460 WeakPolarHBondContact O-CB 3.36Å; Q456-K460 PolarHBondContact O-N 3.36Å; E457-K460 PolarHBondContact O-N 2.9Å; E457-K460 WeakPolarHBondContact OE1-CE 3.25Å; E457-K460 IonicContact OE1-NZ 2.69Å; E457-K460 PolarHBondContact OE1-NZ 3.05Å; E457-K460 WeakPolarHBondContact OE2-CD 3.45Å; E457-K460 IonicContact OE2-NZ 2.68Å; E457-K460 PolarHBondContact OE2-NZ 2.79Å; K460-K462 VanDerWaalsContact C-N 3.35Å; K460-K462 PolarHBondContact O-N 3.01Å; K460-E463 PolarHBondContact O-N 3.13Å; K460-Q464 WeakPolarHBondContact O-CG 3.43Å; K460-Q464 PolarHBondContact O-N 3Å |
| 461 | H | 86.7 | Confident | 88.8 | Confident | 70 Ų | 70 | 103.3 Ų | 103.3 | 32% | 0.324 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.2 | -40.9 | 172.2 | -75.2 | 140.8 | 0 | 0 | 0 | 112.2 | E457 L458 E463 Q464 L465 | E457-H461 WeakPolarHBondContact O-CB 3.1Å; E457-H461 VanDerWaalsContact O-CG 3.31Å; E457-H461 PolarHBondContact O-N 3.03Å; E457-H461 PolarHBondContact O-ND1 3.1Å; E457-H461 IonicContact OE1-CE1 3.99Å; E457-H461 IonicContact OE1-NE2 2.95Å; L458-H461 PolarHBondContact O-N 3.07Å; H461-E463 VanDerWaalsContact C-N 3.3Å; H461-E463 PolarHBondContact O-N 3.39Å; H461-Q464 PolarHBondContact O-N 2.71Å; H461-L465 WeakPolarHBondContact O-CB 3.49Å; H461-L465 WeakPolarHBondContact O-CG 3.13Å; H461-L465 PolarHBondContact O-N 3.04Å |
| 462 | K | 89.6 | Confident | 89.4 | Confident | 133 Ų | 133 | 97.7 Ų | 97.7 | 58% | 0.578 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -63.4 | -34.2 | 175.5 | -178.3 | -178.9 | 179.5 | -178.6 | 0 | 112.6 | L458 V459 K460 K466 | L458-K462 VanDerWaalsContact O-CB 3.32Å; L458-K462 WeakPolarHBondContact O-CB 3.43Å; L458-K462 PolarHBondContact O-N 2.84Å; V459-K462 WeakPolarHBondContact O-CB 3.24Å; V459-K462 PolarHBondContact O-N 3.14Å; K460-K462 VanDerWaalsContact C-N 3.35Å; K460-K462 PolarHBondContact O-N 3.01Å; K462-K466 WeakPolarHBondContact O-CG 3.12Å; K462-K466 PolarHBondContact O-N 3.18Å; K462-K466 VanDerWaalsContact O-N 3.12Å |
| 463 | E | 92.9 | Very high | 89.7 | Confident | 98 Ų | 98 | 97.3 Ų | 97.3 | 46% | 0.458 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -72.9 | -41 | 173.3 | -161.8 | -166.5 | 141.2 | 0 | 0 | 112 | V459 K460 H461 L465 K466 K467 | V459-E463 PolarHBondContact O-N 2.79Å; K460-E463 PolarHBondContact O-N 3.13Å; H461-E463 VanDerWaalsContact C-N 3.3Å; H461-E463 PolarHBondContact O-N 3.39Å; E463-L465 VanDerWaalsContact C-N 3.32Å; E463-L465 PolarHBondContact O-N 2.84Å; E463-K466 PolarHBondContact O-N 2.84Å; E463-K467 WeakPolarHBondContact O-CG 3.39Å; E463-K467 PolarHBondContact O-N 2.98Å; E463-K467 WeakPolarHBondContact OE1-CE 3.26Å; E463-K467 IonicContact OE1-NZ 2.61Å; E463-K467 PolarHBondContact OE1-NZ 3.16Å |
| 464 | Q | 85.2 | Confident | 90.2 | Very high | 86 Ų | 86 | 98.4 Ų | 98.4 | 40% | 0.402 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -62.5 | -37.4 | 173.7 | -72.3 | 178.4 | 0.2 | 0 | 0 | 112.7 | K460 H461 K467 K468 | K460-Q464 WeakPolarHBondContact O-CG 3.43Å; K460-Q464 PolarHBondContact O-N 3Å; H461-Q464 PolarHBondContact O-N 2.71Å; Q464-K467 PolarHBondContact O-N 2.81Å; Q464-K468 PolarHBondContact O-N 3.04Å; Q464-K468 VanDerWaalsContact O-N 3.09Å |
| 465 | L | 85.9 | Confident | 90.7 | Very high | 103 Ų | 103 | 100.2 Ų | 100.2 | 54% | 0.539 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.7 | -52.9 | 172.3 | -76 | 166.7 | 0 | 0 | 0 | 110.4 | H461 E463 K467 K468 D469 | H461-L465 WeakPolarHBondContact O-CB 3.49Å; H461-L465 WeakPolarHBondContact O-CG 3.13Å; H461-L465 PolarHBondContact O-N 3.04Å; E463-L465 VanDerWaalsContact C-N 3.32Å; E463-L465 PolarHBondContact O-N 2.84Å; L465-K467 PolarHBondContact O-N 3.22Å; L465-K467 VanDerWaalsContact O-N 3.15Å; L465-K468 CarbonylContact O-C 3.51Å; L465-K468 WeakPolarHBondContact O-CA 3.42Å; L465-K468 WeakPolarHBondContact O-CB 3.39Å; L465-K468 PolarHBondContact O-N 2.89Å; L465-D469 PolarHBondContact O-N 2.99Å |
| 466 | K | 92.3 | Very high | 90.8 | Very high | 127 Ų | 127 | 101 Ų | 101 | 55% | 0.552 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -51.7 | -40.8 | 174.4 | -79.2 | -178.2 | 168.9 | -166.2 | 0 | 113.5 | K462 E463 D469 I470 | K462-K466 WeakPolarHBondContact O-CG 3.12Å; K462-K466 PolarHBondContact O-N 3.18Å; K462-K466 VanDerWaalsContact O-N 3.12Å; E463-K466 PolarHBondContact O-N 2.84Å; K466-D469 PolarHBondContact O-N 2.89Å; K466-I470 WeakPolarHBondContact O-CD1 3.34Å; K466-I470 VanDerWaalsContact O-CG1 3.29Å; K466-I470 WeakPolarHBondContact O-CG1 3.3Å; K466-I470 PolarHBondContact O-N 2.85Å |
| 467 | K | 92.1 | Very high | 91.3 | Very high | 123 Ų | 123 | 99.3 Ų | 99.3 | 54% | 0.535 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -66.4 | -37.4 | 177.2 | -72.3 | 174.9 | -175.5 | 173.3 | 0 | 111.9 | E463 Q464 L465 H471 | E463-K467 WeakPolarHBondContact O-CG 3.39Å; E463-K467 PolarHBondContact O-N 2.98Å; E463-K467 WeakPolarHBondContact OE1-CE 3.26Å; E463-K467 IonicContact OE1-NZ 2.61Å; E463-K467 PolarHBondContact OE1-NZ 3.16Å; Q464-K467 PolarHBondContact O-N 2.81Å; L465-K467 PolarHBondContact O-N 3.22Å; L465-K467 VanDerWaalsContact O-N 3.15Å; K467-H471 WeakPolarHBondContact O-CB 3.43Å; K467-H471 PolarHBondContact O-N 3.3Å; K467-H471 VanDerWaalsContact O-N 3.09Å |
| 468 | K | 91.8 | Very high | 91.7 | Very high | 122 Ų | 122 | 103.8 Ų | 103.8 | 53% | 0.53 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -67.3 | -42.9 | 169.7 | -71.4 | -171.4 | 176.5 | 71.2 | 0 | 112.2 | Q464 L465 I470 H471 I472 | Q464-K468 PolarHBondContact O-N 3.04Å; Q464-K468 VanDerWaalsContact O-N 3.09Å; L465-K468 CarbonylContact O-C 3.51Å; L465-K468 WeakPolarHBondContact O-CA 3.42Å; L465-K468 WeakPolarHBondContact O-CB 3.39Å; L465-K468 PolarHBondContact O-N 2.89Å; K468-I470 PolarHBondContact O-N 2.96Å; K468-H471 PolarHBondContact O-N 3.04Å; K468-H471 VanDerWaalsContact O-N 3.13Å; K468-I472 WeakPolarHBondContact O-CB 3.34Å; K468-I472 VanDerWaalsContact O-CG1 3.27Å; K468-I472 WeakPolarHBondContact O-CG1 3.37Å; K468-I472 PolarHBondContact O-N 3.42Å |
| 469 | D | 89.6 | Confident | 92 | Very high | 76 Ų | 76 | 103.7 Ų | 103.7 | 41% | 0.406 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.1 | -24.6 | 179 | -56.9 | -30.9 | 0 | 0 | 0 | 113.2 | L465 K466 R473 | L465-D469 PolarHBondContact O-N 2.99Å; K466-D469 PolarHBondContact O-N 2.89Å; D469-R473 VanDerWaalsContact O-CZ 3.32Å; D469-R473 PolarHBondContact O-NH1 2.82Å; D469-R473 VanDerWaalsContact O-NH1 3.14Å; D469-R473 PolarHBondContact O-NH2 2.55Å |
| 470 | I | 95.1 | Very high | 92 | Very high | 87 Ų | 87 | 104.7 Ų | 104.7 | 45% | 0.446 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -78.1 | -51.4 | 170.4 | -69.1 | 163.5 | 0 | 0 | 0 | 109.4 | K466 K468 I472 R473 E474 | K466-I470 WeakPolarHBondContact O-CD1 3.34Å; K466-I470 VanDerWaalsContact O-CG1 3.29Å; K466-I470 WeakPolarHBondContact O-CG1 3.3Å; K466-I470 PolarHBondContact O-N 2.85Å; K468-I470 PolarHBondContact O-N 2.96Å; I470-I472 VanDerWaalsContact C-N 3.33Å; I470-I472 PolarHBondContact O-N 2.92Å; I470-R473 WeakPolarHBondContact O-CA 3.18Å; I470-R473 WeakPolarHBondContact O-CB 3.22Å; I470-R473 PolarHBondContact O-N 3.06Å; I470-E474 HydrophobicContact CG2-CG 4.46Å; I470-E474 WeakPolarHBondContact CG2-OE1 3.43Å; I470-E474 PolarHBondContact O-N 2.97Å |
| 471 | H | 92.4 | Very high | 92.2 | Very high | 99 Ų | 99 | 104.3 Ų | 104.3 | 46% | 0.458 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.9 | -33.8 | -177.4 | -169.7 | 50.1 | 0 | 0 | 0 | 114.1 | K467 K468 R473 E474 L475 | K467-H471 WeakPolarHBondContact O-CB 3.43Å; K467-H471 PolarHBondContact O-N 3.3Å; K467-H471 VanDerWaalsContact O-N 3.09Å; K468-H471 PolarHBondContact O-N 3.04Å; K468-H471 VanDerWaalsContact O-N 3.13Å; H471-R473 VanDerWaalsContact C-N 3.31Å; H471-R473 PolarHBondContact O-N 3.18Å; H471-E474 WeakPolarHBondContact CA-OE2 3.4Å; H471-E474 IonicContact CE1-OE2 3.81Å; H471-E474 IonicContact CG-OE2 3.25Å; H471-E474 IonicContact ND1-OE2 3.81Å; H471-E474 PolarHBondContact ND1-OE2 2.94Å; H471-E474 PolarHBondContact O-N 3.44Å; H471-L475 WeakPolarHBondContact O-CG 3.4Å; H471-L475 PolarHBondContact O-N 2.92Å |
| 472 | I | 92.4 | Very high | 92.5 | Very high | 85 Ų | 85 | 104.3 Ų | 104.3 | 44% | 0.436 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.8 | -44.7 | 171.4 | -71.1 | 164.7 | 0 | 0 | 0 | 109.9 | K468 I470 E474 L475 E476 | K468-I472 WeakPolarHBondContact O-CB 3.34Å; K468-I472 VanDerWaalsContact O-CG1 3.27Å; K468-I472 WeakPolarHBondContact O-CG1 3.37Å; K468-I472 PolarHBondContact O-N 3.42Å; I470-I472 VanDerWaalsContact C-N 3.33Å; I470-I472 PolarHBondContact O-N 2.92Å; I472-E474 PolarHBondContact O-N 2.76Å; I472-L475 PolarHBondContact O-N 2.87Å; I472-L475 VanDerWaalsContact O-N 3.17Å; I472-E476 HydrophobicContact CG2-CG 4.31Å; I472-E476 VanDerWaalsContact O-CG 3.3Å; I472-E476 WeakPolarHBondContact O-CG 3.49Å; I472-E476 PolarHBondContact O-N 3.23Å |
| 473 | R | 95.1 | Very high | 92.6 | Very high | 142 Ų | 142 | 101.5 Ų | 101.5 | 54% | 0.536 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -68.2 | -34.1 | 179.2 | -165.4 | -180 | -56.7 | 88 | 22.5 | 113.2 | D469 I470 H471 L475 E476 D477 | D469-R473 VanDerWaalsContact O-CZ 3.32Å; D469-R473 PolarHBondContact O-NH1 2.82Å; D469-R473 VanDerWaalsContact O-NH1 3.14Å; D469-R473 PolarHBondContact O-NH2 2.55Å; I470-R473 WeakPolarHBondContact O-CA 3.18Å; I470-R473 WeakPolarHBondContact O-CB 3.22Å; I470-R473 PolarHBondContact O-N 3.06Å; H471-R473 VanDerWaalsContact C-N 3.31Å; H471-R473 PolarHBondContact O-N 3.18Å; R473-L475 VanDerWaalsContact C-N 3.32Å; R473-E476 WeakPolarHBondContact CA-OE2 3.2Å; R473-D477 WeakPolarHBondContact O-CB 3.49Å; R473-D477 PolarHBondContact O-N 3.32Å |
| 474 | E | 95.4 | Very high | 92.6 | Very high | 109 Ų | 109 | 100.4 Ų | 100.4 | 51% | 0.509 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.3 | -39.2 | 171.3 | -66.3 | 166.4 | 172.8 | 0 | 0 | 111.5 | I470 H471 I472 Y478 | I470-E474 HydrophobicContact CG2-CG 4.46Å; I470-E474 WeakPolarHBondContact CG2-OE1 3.43Å; I470-E474 PolarHBondContact O-N 2.97Å; H471-E474 WeakPolarHBondContact CA-OE2 3.4Å; H471-E474 IonicContact CE1-OE2 3.81Å; H471-E474 IonicContact CG-OE2 3.25Å; H471-E474 IonicContact ND1-OE2 3.81Å; H471-E474 PolarHBondContact ND1-OE2 2.94Å; H471-E474 PolarHBondContact O-N 3.44Å; I472-E474 PolarHBondContact O-N 2.76Å; E474-Y478 VanDerWaalsContact O-CB 3.31Å; E474-Y478 WeakPolarHBondContact O-CB 3.37Å; E474-Y478 PolarHBondContact O-N 3.02Å |
| 475 | L | 95.3 | Very high | 92.9 | Very high | 84 Ų | 84 | 102.6 Ų | 102.6 | 44% | 0.44 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -74.4 | -36.7 | 176.8 | -68.5 | 172.3 | 0 | 0 | 0 | 112.5 | H471 I472 R473 Y478 I479 | H471-L475 WeakPolarHBondContact O-CG 3.4Å; H471-L475 PolarHBondContact O-N 2.92Å; I472-L475 PolarHBondContact O-N 2.87Å; I472-L475 VanDerWaalsContact O-N 3.17Å; R473-L475 VanDerWaalsContact C-N 3.32Å; L475-Y478 PolarHBondContact O-N 2.94Å; L475-I479 WeakPolarHBondContact O-CB 3.38Å; L475-I479 WeakPolarHBondContact O-CD1 3.29Å; L475-I479 WeakPolarHBondContact O-CG1 3.49Å; L475-I479 PolarHBondContact O-N 3.08Å |
| 476 | E | 91.4 | Very high | 93.3 | Very high | 106 Ų | 106 | 99.1 Ų | 99.1 | 50% | 0.495 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -60.3 | -52.4 | 172 | -72.7 | 168 | 157.3 | 0 | 0 | 110.4 | I472 R473 Y478 I479 D480 | I472-E476 HydrophobicContact CG2-CG 4.31Å; I472-E476 VanDerWaalsContact O-CG 3.3Å; I472-E476 WeakPolarHBondContact O-CG 3.49Å; I472-E476 PolarHBondContact O-N 3.23Å; R473-E476 WeakPolarHBondContact CA-OE2 3.2Å; E476-Y478 VanDerWaalsContact C-N 3.34Å; E476-Y478 PolarHBondContact O-N 2.97Å; E476-I479 PolarHBondContact O-N 3.12Å; E476-I479 VanDerWaalsContact O-N 3.11Å; E476-D480 PolarHBondContact O-N 2.77Å |
| 477 | D | 96.4 | Very high | 93.1 | Very high | 100 Ų | 100 | 98.4 Ų | 98.4 | 54% | 0.535 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.7 | -39.1 | 177.4 | -174 | 79 | 0 | 0 | 0 | 112.3 | R473 I479 D480 N481 | R473-D477 WeakPolarHBondContact O-CB 3.49Å; R473-D477 PolarHBondContact O-N 3.32Å; D477-I479 PolarHBondContact O-N 2.94Å; D477-D480 PolarHBondContact O-N 2.84Å; D477-N481 WeakPolarHBondContact O-CB 3.5Å; D477-N481 PolarHBondContact O-N 3.29Å; D477-N481 PolarHBondContact O-ND2 2.91Å; D477-N481 PolarHBondContact OD1-ND2 2.82Å; D477-N481 PolarHBondContact OD2-ND2 3.11Å |
| 478 | Y | 95.5 | Very high | 93 | Very high | 149 Ų | 149 | 99.7 Ų | 99.7 | 58% | 0.584 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -62.6 | -41 | 172.9 | 177 | -95.3 | 0 | 0 | 0 | 112.6 | E474 L475 E476 L482 | E474-Y478 VanDerWaalsContact O-CB 3.31Å; E474-Y478 WeakPolarHBondContact O-CB 3.37Å; E474-Y478 PolarHBondContact O-N 3.02Å; L475-Y478 PolarHBondContact O-N 2.94Å; E476-Y478 VanDerWaalsContact C-N 3.34Å; E476-Y478 PolarHBondContact O-N 2.97Å; Y478-L482 HydrophobicContact CE1-CD2 4.12Å; Y478-L482 VanDerWaalsContact O-CB 3.22Å; Y478-L482 WeakPolarHBondContact O-CB 3.43Å; Y478-L482 PolarHBondContact O-N 3.12Å |
| 479 | I | 94.1 | Very high | 93 | Very high | 103 Ų | 103 | 100.4 Ų | 100.4 | 53% | 0.528 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66.5 | -44 | 177.5 | -73.2 | 164.4 | 0 | 0 | 0 | 110.6 | L475 E476 D477 L482 L483 | L475-I479 WeakPolarHBondContact O-CB 3.38Å; L475-I479 WeakPolarHBondContact O-CD1 3.29Å; L475-I479 WeakPolarHBondContact O-CG1 3.49Å; L475-I479 PolarHBondContact O-N 3.08Å; E476-I479 PolarHBondContact O-N 3.12Å; E476-I479 VanDerWaalsContact O-N 3.11Å; D477-I479 PolarHBondContact O-N 2.94Å; I479-L482 PolarHBondContact O-N 3.42Å; I479-L483 VanDerWaalsContact O-CB 3.29Å; I479-L483 WeakPolarHBondContact O-CB 3.4Å; I479-L483 PolarHBondContact O-N 2.83Å |
| 480 | D | 92.6 | Very high | 92.9 | Very high | 101 Ų | 101 | 99.8 Ų | 99.8 | 54% | 0.54 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.5 | -45.6 | 179.1 | -77 | -14.7 | 0 | 0 | 0 | 111.4 | E476 D477 L482 L483 V484 | E476-D480 PolarHBondContact O-N 2.77Å; D477-D480 PolarHBondContact O-N 2.84Å; D480-L482 VanDerWaalsContact C-N 3.32Å; D480-L482 PolarHBondContact O-N 2.83Å; D480-L483 PolarHBondContact O-N 3.47Å; D480-V484 WeakPolarHBondContact O-CG2 3.35Å; D480-V484 PolarHBondContact O-N 3.4Å |
| 481 | N | 94.1 | Very high | 92.4 | Very high | 88 Ų | 88 | 98.5 Ų | 98.5 | 47% | 0.471 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.9 | -37.6 | 174.6 | -80.4 | -75.5 | 0 | 0 | 0 | 112.7 | D477 R485 | D477-N481 WeakPolarHBondContact O-CB 3.5Å; D477-N481 PolarHBondContact O-N 3.29Å; D477-N481 PolarHBondContact O-ND2 2.91Å; D477-N481 PolarHBondContact OD1-ND2 2.82Å; D477-N481 PolarHBondContact OD2-ND2 3.11Å; N481-R485 PolarHBondContact O-N 3.03Å |
| 482 | L | 93.9 | Very high | 91.8 | Very high | 70 Ų | 70 | 97.6 Ų | 97.6 | 37% | 0.366 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -68.6 | -40.5 | 174.5 | 179.4 | 61 | 0 | 0 | 0 | 111.5 | Y478 I479 D480 R485 V486 | Y478-L482 HydrophobicContact CE1-CD2 4.12Å; Y478-L482 VanDerWaalsContact O-CB 3.22Å; Y478-L482 WeakPolarHBondContact O-CB 3.43Å; Y478-L482 PolarHBondContact O-N 3.12Å; I479-L482 PolarHBondContact O-N 3.42Å; D480-L482 VanDerWaalsContact C-N 3.32Å; D480-L482 PolarHBondContact O-N 2.83Å; L482-R485 PolarHBondContact O-N 2.89Å; L482-V486 HydrophobicContact CD1-CG2 4.34Å; L482-V486 WeakPolarHBondContact O-CB 3.36Å; L482-V486 VanDerWaalsContact O-CG2 3.29Å; L482-V486 WeakPolarHBondContact O-CG2 3.45Å; L482-V486 PolarHBondContact O-N 3.03Å |
| 483 | L | 92.1 | Very high | 91.3 | Very high | 74 Ų | 74 | 99.5 Ų | 99.5 | 39% | 0.387 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.6 | -42 | 178.5 | -177.6 | 62.6 | 0 | 0 | 0 | 111.5 | I479 D480 V486 M487 L494 | I479-L483 VanDerWaalsContact O-CB 3.29Å; I479-L483 WeakPolarHBondContact O-CB 3.4Å; I479-L483 PolarHBondContact O-N 2.83Å; D480-L483 PolarHBondContact O-N 3.47Å; L483-V486 PolarHBondContact O-N 3.15Å; L483-M487 HydrophobicContact CG-SD 4.25Å; L483-M487 VanDerWaalsContact O-CG 3.31Å; L483-M487 WeakPolarHBondContact O-CG 3.47Å; L483-M487 PolarHBondContact O-N 2.77Å; L483-L494 HydrophobicContact CD1-CD1 3.82Å; L483-L494 HydrophobicContact CD1-CD2 3.75Å; L483-L494 HydrophobicContact CD1-CG 4.46Å |
| 484 | V | 92.9 | Very high | 90.5 | Very high | 75 Ų | 75 | 97 Ų | 97 | 46% | 0.455 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -56.8 | -52.7 | 172.8 | 169.7 | 0 | 0 | 0 | 0 | 110.5 | D480 V486 M487 E488 | D480-V484 WeakPolarHBondContact O-CG2 3.35Å; D480-V484 PolarHBondContact O-N 3.4Å; V484-V486 VanDerWaalsContact C-N 3.29Å; V484-V486 PolarHBondContact O-N 2.79Å; V484-M487 WeakPolarHBondContact O-CB 3.19Å; V484-M487 PolarHBondContact O-N 3.37Å; V484-E488 WeakPolarHBondContact O-CG 3.47Å; V484-E488 PolarHBondContact O-N 2.87Å |
| 485 | R | 91.1 | Very high | 89.8 | Confident | 132 Ų | 132 | 100.5 Ų | 100.5 | 50% | 0.498 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.7 | -39.1 | 178.5 | -169.3 | -178.7 | -54.5 | 146.8 | 10.6 | 112.5 | N481 L482 E488 E489 | N481-R485 PolarHBondContact O-N 3.03Å; L482-R485 PolarHBondContact O-N 2.89Å; R485-E488 PolarHBondContact O-N 3.49Å; R485-E489 WeakPolarHBondContact CD-OE1 3.24Å; R485-E489 VanDerWaalsContact CG-CD 3.47Å; R485-E489 HydrophobicContact CG-CG 4.05Å; R485-E489 VanDerWaalsContact CG-OE1 3.25Å; R485-E489 WeakPolarHBondContact CG-OE1 3.27Å; R485-E489 WeakPolarHBondContact O-CB 3.14Å; R485-E489 PolarHBondContact O-N 3.26Å |
| 486 | V | 92.9 | Very high | 88.7 | Confident | 30 Ų | 30 | 102.9 Ų | 102.9 | 18% | 0.182 | 52% | 0.518 | C | S | . | . | H | α-helix | trans | -66.5 | -36.3 | 175.9 | 167.2 | 0 | 0 | 0 | 0 | 112 | L482 L483 V484 E488 T490 P491 I493 L494 | L482-V486 HydrophobicContact CD1-CG2 4.34Å; L482-V486 WeakPolarHBondContact O-CB 3.36Å; L482-V486 VanDerWaalsContact O-CG2 3.29Å; L482-V486 WeakPolarHBondContact O-CG2 3.45Å; L482-V486 PolarHBondContact O-N 3.03Å; L483-V486 PolarHBondContact O-N 3.15Å; V484-V486 VanDerWaalsContact C-N 3.29Å; V484-V486 PolarHBondContact O-N 2.79Å; V486-E488 VanDerWaalsContact C-N 3.33Å; V486-T490 CarbonylContact O-C 3.44Å; V486-T490 WeakPolarHBondContact O-CA 3.26Å; V486-T490 PolarHBondContact O-N 2.67Å; V486-P491 VanDerWaalsContact O-N 3.16Å; V486-I493 HydrophobicContact CG1-CG2 3.27Å; V486-L494 HydrophobicContact CG1-CD1 4.03Å; V486-L494 HydrophobicContact CG1-CD2 3.94Å; V486-L494 HydrophobicContact CG1-CG 3.82Å |
| 487 | M | 88.9 | Confident | 87.5 | Confident | 112 Ų | 112 | 102.9 Ų | 102.9 | 55% | 0.552 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -67.9 | -31.8 | 173.9 | -73.6 | 175.4 | 59.3 | 0 | 0 | 112.7 | L483 V484 L494 | L483-M487 HydrophobicContact CG-SD 4.25Å; L483-M487 VanDerWaalsContact O-CG 3.31Å; L483-M487 WeakPolarHBondContact O-CG 3.47Å; L483-M487 PolarHBondContact O-N 2.77Å; V484-M487 WeakPolarHBondContact O-CB 3.19Å; V484-M487 PolarHBondContact O-N 3.37Å; M487-L494 HydrophobicContact CG-CD1 3.42Å; M487-L494 VanDerWaalsContact CG-CD1 3.42Å; M487-L494 HydrophobicContact SD-CD1 4.5Å |
| 488 | E | 89.4 | Confident | 85.7 | Confident | 150 Ų | 150 | 107.5 Ų | 107.5 | 70% | 0.701 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -80.2 | -49.7 | 177.8 | -68.7 | 175.5 | 159.1 | 0 | 0 | 112.6 | V484 R485 V486 | V484-E488 WeakPolarHBondContact O-CG 3.47Å; V484-E488 PolarHBondContact O-N 2.87Å; R485-E488 PolarHBondContact O-N 3.49Å; V486-E488 VanDerWaalsContact C-N 3.33Å |
| 489 | E | 92.3 | Very high | 84 | Confident | 136 Ų | 136 | 107.7 Ų | 107.7 | 64% | 0.636 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -84.3 | -44.7 | -174.3 | -66.1 | 177.5 | -177.9 | 0 | 0 | 113.4 | R485 | R485-E489 WeakPolarHBondContact CD-OE1 3.24Å; R485-E489 VanDerWaalsContact CG-CD 3.47Å; R485-E489 HydrophobicContact CG-CG 4.05Å; R485-E489 VanDerWaalsContact CG-OE1 3.25Å; R485-E489 WeakPolarHBondContact CG-OE1 3.27Å; R485-E489 WeakPolarHBondContact O-CB 3.14Å; R485-E489 PolarHBondContact O-N 3.26Å |
| 490 | T | 87.8 | Confident | 82.2 | Confident | 64 Ų | 64 | 106.7 Ų | 106.7 | 39% | 0.393 | 55% | 0.545 | S | S | . | . | trans | -142.1 | 54 | -167.1 | 52.4 | 0 | 0 | 0 | 0 | 114.3 | V486 S492 I493 | V486-T490 CarbonylContact O-C 3.44Å; V486-T490 WeakPolarHBondContact O-CA 3.26Å; V486-T490 PolarHBondContact O-N 2.67Å; T490-S492 PolarHBondContact O-N 3.4Å; T490-I493 WeakPolarHBondContact O-CG2 3.37Å; T490-I493 PolarHBondContact O-N 2.82Å | ||
| 491 | P | 85.4 | Confident | 80.3 | Confident | 60 Ų | 60 | 106.7 Ų | 106.7 | 39% | 0.39 | 55% | 0.553 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -63.5 | -1.2 | -175.7 | 26.1 | -36.1 | 0 | 0 | 0 | 115.4 | V486 | V486-P491 VanDerWaalsContact O-N 3.16Š|
| 492 | S | 79.2 | Confident | 78.6 | Confident | 80 Ų | 80 | 114.1 Ų | 114.1 | 56% | 0.559 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.7 | -32.5 | 169.1 | 50.2 | 0 | 0 | 0 | 0 | 113.2 | T490 L494 R495 | T490-S492 PolarHBondContact O-N 3.4Å; S492-L494 PolarHBondContact O-N 3.21Å; S492-R495 WeakPolarHBondContact O-CB 3.28Å; S492-R495 PolarHBondContact O-N 2.77Å; S492-R495 VanDerWaalsContact O-N 3.14Å |
| 493 | I | 82.4 | Confident | 76.7 | Confident | 125 Ų | 125 | 120.3 Ų | 120.3 | 64% | 0.641 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.3 | -22.7 | -177 | -158.9 | 172.5 | 0 | 0 | 0 | 112.8 | V486 T490 R495 | V486-I493 HydrophobicContact CG1-CG2 3.27Å; T490-I493 WeakPolarHBondContact O-CG2 3.37Å; T490-I493 PolarHBondContact O-N 2.82Å; I493-R495 VanDerWaalsContact C-N 3.29Å |
| 494 | L | 78.1 | Confident | 74.7 | Confident | 89 Ų | 89 | 121.5 Ų | 121.5 | 47% | 0.466 | 62% | 0.619 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.1 | -2.3 | 176.5 | -57.8 | 177.6 | 0 | 0 | 0 | 113.2 | L483 V486 M487 S492 | L483-L494 HydrophobicContact CD1-CD1 3.82Å; L483-L494 HydrophobicContact CD1-CD2 3.75Å; L483-L494 HydrophobicContact CD1-CG 4.46Å; V486-L494 HydrophobicContact CG1-CD1 4.03Å; V486-L494 HydrophobicContact CG1-CD2 3.94Å; V486-L494 HydrophobicContact CG1-CG 3.82Å; M487-L494 HydrophobicContact CG-CD1 3.42Å; M487-L494 VanDerWaalsContact CG-CD1 3.42Å; M487-L494 HydrophobicContact SD-CD1 4.5Å; S492-L494 PolarHBondContact O-N 3.21Å |
| 495 | R | 80.2 | Confident | 72.5 | Confident | 182 Ų | 182 | 120.9 Ų | 120.9 | 69% | 0.687 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -89.5 | 116.6 | 178.8 | -60 | -179.1 | -174 | 175 | 0.2 | 110.2 | S492 I493 P497 | S492-R495 WeakPolarHBondContact O-CB 3.28Å; S492-R495 PolarHBondContact O-N 2.77Å; S492-R495 VanDerWaalsContact O-N 3.14Å; I493-R495 VanDerWaalsContact C-N 3.29Å; R495-P497 WeakPolarHBondContact O-CD 3.35Å |
| 496 | V | 71.8 | Confident | 70.5 | Confident | 135 Ų | 135 | 124.3 Ų | 124.3 | 82% | 0.818 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 126.2 | 161.9 | -178 | 0 | 0 | 0 | 0 | 108 | Y498 | V496-Y498 PolarHBondContact O-N 3.25Š|
| 497 | P | 66.6 | Low | 68.2 | Low | 106 Ų | 106 | 132.8 Ų | 132.8 | 69% | 0.688 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -58 | 128.4 | 177.1 | -26.2 | 35.5 | 0 | 0 | 0 | 111.4 | R495 E499 | R495-P497 WeakPolarHBondContact O-CD 3.35Å; P497-E499 PolarHBondContact O-N 2.69Å |
| 498 | Y | 57.8 | Low | 66.1 | Low | 196 Ų | 196 | 132.6 Ų | 132.6 | 77% | 0.769 | 69% | 0.691 | S | S | * | * | trans | -74.9 | 95.3 | 172.6 | 179.7 | -98.1 | 0 | 0 | 0 | 109.2 | V496 P500 | V496-Y498 PolarHBondContact O-N 3.25Å; Y498-P500 HydrophobicContact CD1-CB 4.45Å; Y498-P500 HydrophobicContact CE1-CB 3.95Å; Y498-P500 WeakPolarHBondContact O-CD 3.3Å | ||
| 499 | E | 59.8 | Low | 64.3 | Low | 153 Ų | 153 | 135.6 Ų | 135.6 | 72% | 0.715 | 70% | 0.701 | S | S | * | * | trans | -71 | 108.9 | 166.3 | -82.4 | -65.3 | 148 | 0 | 0 | 109.3 | P497 S501 | P497-E499 PolarHBondContact O-N 2.69Å; E499-S501 PolarHBondContact O-N 3.36Å; E499-S501 VanDerWaalsContact O-N 3.12Å | ||
| 500 | P | 58.2 | Low | 62.1 | Low | 82 Ų | 82 | 138 Ų | 138 | 53% | 0.532 | 73% | 0.733 | S | S | . | * | trans | -68.6 | 114.3 | 176.8 | 29.2 | -32.9 | 0 | 0 | 0 | 108.7 | Y498 R502 | Y498-P500 HydrophobicContact CD1-CB 4.45Å; Y498-P500 HydrophobicContact CE1-CB 3.95Å; Y498-P500 WeakPolarHBondContact O-CD 3.3Å; P500-R502 PolarHBondContact O-N 3.14Å; P500-R502 VanDerWaalsContact O-N 3.08Å | ||
| 501 | S | 51.7 | Low | 60.8 | Low | 102 Ų | 102 | 141.7 Ų | 141.7 | 71% | 0.713 | 75% | 0.75 | S | S | * | * | trans | -55 | 121.4 | -179.2 | 60.1 | 0 | 0 | 0 | 0 | 110.3 | E499 K503 | E499-S501 PolarHBondContact O-N 3.36Å; E499-S501 VanDerWaalsContact O-N 3.12Å; S501-K503 PolarHBondContact O-N 3.21Å | ||
| 502 | R | 59 | Low | 59.5 | Low | 244 Ų | 244 | 146 Ų | 146 | 92% | 0.921 | 77% | 0.769 | S | S | * | * | trans | -62.4 | 99.1 | -173.2 | -62.9 | -173.9 | -168.2 | 176.2 | 5.9 | 109.3 | P500 A504 | P500-R502 PolarHBondContact O-N 3.14Å; P500-R502 VanDerWaalsContact O-N 3.08Å; R502-A504 PolarHBondContact O-N 3.04Å | ||
| 503 | K | 52.5 | Low | 58.4 | Low | 200 Ų | 200 | 149.7 Ų | 149.7 | 87% | 0.87 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 124.9 | 176.8 | -69.5 | -179.5 | 179.6 | 175.3 | 0 | 108.5 | S501 G505 | S501-K503 PolarHBondContact O-N 3.21Å; K503-G505 PolarHBondContact O-N 3.47Å; K503-G505 VanDerWaalsContact O-N 3.14Å |
| 504 | A | 51.8 | Low | 57 | Low | 98 Ų | 98 | 151.1 Ų | 151.1 | 81% | 0.81 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 121.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | R502 K506 | R502-A504 PolarHBondContact O-N 3.04Å; A504-K506 PolarHBondContact O-N 3.34Å |
| 505 | G | 46.5 | Very low | 55.7 | Low | 62 Ų | 62 | 155 Ų | 155 | 64% | 0.639 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 128.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | K503 F507 | K503-G505 PolarHBondContact O-N 3.47Å; K503-G505 VanDerWaalsContact O-N 3.14Å; G505-F507 PolarHBondContact O-N 3.09Å |
| 506 | K | 48.6 | Very low | 54 | Low | 205 Ų | 205 | 153.2 Ų | 153.2 | 89% | 0.891 | 82% | 0.818 | S | S | * | * | trans | -67.2 | 115.5 | 169.7 | -67.3 | 179.8 | 179.9 | 178.7 | 0 | 108 | A504 S508 | A504-K506 PolarHBondContact O-N 3.34Å; K506-S508 PolarHBondContact O-N 3.38Å | ||
| 507 | F | 43.5 | Very low | 52.8 | Low | 207 Ų | 207 | 154.5 Ų | 154.5 | 91% | 0.908 | 82% | 0.818 | S | S | * | * | trans | -63.2 | 107.7 | 169.8 | -71.7 | -83.9 | 0 | 0 | 0 | 109.6 | G505 K509 | G505-F507 PolarHBondContact O-N 3.09Å; F507-K509 PolarHBondContact O-N 3.37Å | ||
| 508 | S | 46 | Very low | 51.7 | Low | 109 Ų | 109 | 158.2 Ų | 158.2 | 76% | 0.762 | 83% | 0.828 | S | S | * | * | trans | -66.5 | 124.7 | 163.9 | 48.9 | 0 | 0 | 0 | 0 | 108.9 | K506 | K506-S508 PolarHBondContact O-N 3.38Š| ||
| 509 | K | 50.5 | Low | 51.2 | Low | 212 Ų | 212 | 155.1 Ų | 155.1 | 92% | 0.922 | 83% | 0.833 | S | S | * | * | trans | -78.7 | 131.2 | 167.3 | -69.6 | -176 | 177.5 | -177.3 | 0 | 109.4 | F507 | F507-K509 PolarHBondContact O-N 3.37Š| ||
| 510 | S | 46.3 | Very low | 50.4 | Low | 187 Ų | 187 | 155.3 Ų | 155.3 | 100% | 1.308 | 84% | 0.843 | S | S | * | * | trans | -141.5 | 0 | 162.1 | 59.4 | 0 | 0 | 0 | 0 | 107.1 |
Retrieved 510 of 510 residues in 106 ms
(Link to these results)