| 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 | 62.8 | Low | 87.3 | Confident | 102 Ų | 102 | 92.3 Ų | 92.3 | 50% | 0.502 | 47% | 0.466 | S | S | . | . | 0 | 73.4 | 0 | -79.1 | -156.7 | -106.7 | 0 | 0 | 107.6 | Y4 A57 K59 Y70 | M1-Y4 HydrophobicContact CB-CD2 4.09Å; M1-Y4 HydrophobicContact CB-CG 4.43Å; M1-Y4 PolarHBondContact O-N 3.5Å; M1-A57 HydrophobicContact SD-CB 4.27Å; M1-K59 HydrophobicContact CE-CD 4.29Å; M1-Y70 HydrophobicContact CE-CD2 3.71Å; M1-Y70 HydrophobicContact CE-CE2 3.47Å; M1-Y70 VanDerWaalsContact CE-CE2 3.47Å; M1-Y70 HydrophobicContact CE-CG 4.45Å; M1-Y70 HydrophobicContact SD-CD2 4.14Å; M1-Y70 HydrophobicContact SD-CE2 4.47Å | |||
| 2 | E | 69.8 | Low | 87.7 | Confident | 177 Ų | 177 | 89.5 Ų | 89.5 | 83% | 0.827 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | 132.1 | -171.4 | -71.3 | 172.2 | -175.1 | 0 | 0 | 112.4 | Y4 K72 | E2-Y4 VanDerWaalsContact C-N 3.32Å; E2-K72 PolarHBondContact O-NZ 3.24Å; E2-K72 VanDerWaalsContact O-NZ 3.11Å |
| 3 | G | 82.7 | Confident | 87.8 | Confident | 57 Ų | 57 | 87.1 Ų | 87.1 | 59% | 0.588 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.8 | 12.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | K72 | G3-K72 WeakPolarHBondContact O-CG 3.49Š|
| 4 | Y | 90.4 | Very high | 88.2 | Confident | 39 Ų | 39 | 86.7 Ų | 86.7 | 15% | 0.153 | 45% | 0.45 | C | S | . | . | P | Polyproline II helix | trans | -94.9 | 128.1 | 171.8 | -82.6 | -88.7 | 0 | 0 | 0 | 110.3 | M1 E2 Q55 A57 R71 K72 | M1-Y4 HydrophobicContact CB-CD2 4.09Å; M1-Y4 HydrophobicContact CB-CG 4.43Å; M1-Y4 PolarHBondContact O-N 3.5Å; E2-Y4 VanDerWaalsContact C-N 3.32Å; Y4-Q55 HydrophobicContact CE1-CB 4.47Å; Y4-Q55 PolarHBondContact OH-OE1 3.48Å; Y4-A57 HydrophobicContact CD1-CB 4.12Å; Y4-A57 HydrophobicContact CE1-CB 3.66Å; Y4-R71 CarbonylContact C-O 3.52Å; Y4-R71 WeakPolarHBondContact CA-O 3.25Å; Y4-K72 HydrophobicContact CD1-CB 3.78Å; Y4-K72 HydrophobicContact CD2-CB 4.34Å; Y4-K72 HydrophobicContact CD2-CD 4.1Å; Y4-K72 HydrophobicContact CE1-CB 3.73Å; Y4-K72 HydrophobicContact CE2-CB 4.32Å; Y4-K72 HydrophobicContact CE2-CD 3.88Å; Y4-K72 HydrophobicContact CG-CB 4.1Å |
| 5 | V | 92.5 | Very high | 88.5 | Confident | 98 Ų | 98 | 86.7 Ų | 86.7 | 59% | 0.594 | 45% | 0.447 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 135.7 | 176.5 | -174.7 | 0 | 0 | 0 | 0 | 108.9 | Y70 R71 | V5-Y70 CarbonylContact O-C 3.55Å; V5-Y70 VanDerWaalsContact O-CA 3.25Å; V5-Y70 WeakPolarHBondContact O-CA 3.29Å; V5-R71 PolarHBondContact N-O 2.98Å; V5-R71 PolarHBondContact O-N 2.84Å |
| 6 | Y | 93.5 | Very high | 88.8 | Confident | 128 Ų | 128 | 81.3 Ų | 81.3 | 50% | 0.502 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 137.9 | 174 | 169.7 | -102.3 | 0 | 0 | 0 | 110.7 | S9 T68 | Y6-S9 PolarHBondContact OH-N 3.15Å; Y6-S9 PolarHBondContact OH-OG 3.24Å; Y6-T68 HydrophobicContact CD2-CG2 3.73Å; Y6-T68 HydrophobicContact CE2-CG2 3.74Å |
| 7 | V | 93.1 | Very high | 89 | Confident | 48 Ų | 48 | 81.1 Ų | 81.1 | 29% | 0.291 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | -66.2 | 178.9 | -177.8 | 0 | 0 | 0 | 0 | 110.3 | Y19 F56 L69 R71 | V7-Y19 HydrophobicContact CG1-CE1 4.49Å; V7-F56 HydrophobicContact CG2-CE1 4.36Å; V7-L69 HydrophobicContact CB-CD2 4.41Å; V7-L69 HydrophobicContact CB-CG 4.42Å; V7-L69 HydrophobicContact CG1-CD2 4.41Å; V7-L69 PolarHBondContact N-O 2.9Å; V7-R71 HydrophobicContact CG2-CB 3.48Å; V7-R71 VanDerWaalsContact CG2-CB 3.48Å |
| 8 | R | 94.3 | Very high | 89.1 | Confident | 159 Ų | 159 | 81.4 Ų | 81.4 | 60% | 0.6 | 42% | 0.418 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -164.4 | 160.1 | -176.1 | -159.6 | -178.8 | 174.3 | 167.6 | -0.2 | 109.5 | F10 L69 | R8-F10 HydrophobicContact CB-CE2 4.43Å; R8-F10 HydrophobicContact CB-CZ 4.44Å; R8-L69 WeakPolarHBondContact O-CB 3.41Å; R8-L69 PolarHBondContact O-N 3.5Å |
| 9 | S | 94.9 | Very high | 89.2 | Confident | 43 Ų | 43 | 80.8 Ų | 80.8 | 30% | 0.301 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 147.3 | 167.5 | -64.6 | 0 | 0 | 0 | 0 | 110.8 | Y6 I67 | Y6-S9 PolarHBondContact OH-N 3.15Å; Y6-S9 PolarHBondContact OH-OG 3.24Å; S9-I67 CarbonylContact C-O 3.49Å; S9-I67 VanDerWaalsContact CA-O 3.3Å; S9-I67 WeakPolarHBondContact CA-O 3.47Å |
| 10 | F | 94.6 | Very high | 89.3 | Confident | 12 Ų | 12 | 77.4 Ų | 77.4 | 5% | 0.053 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 147.7 | 176.7 | -58.3 | -88.1 | 0 | 0 | 0 | 109.5 | R8 E15 L16 Y19 I67 L69 | R8-F10 HydrophobicContact CB-CE2 4.43Å; R8-F10 HydrophobicContact CB-CZ 4.44Å; F10-E15 HydrophobicContact CB-CB 4.42Å; F10-E15 HydrophobicContact CD1-CB 3.87Å; F10-L16 HydrophobicContact CB-CB 4.32Å; F10-L16 HydrophobicContact CD2-CB 4.08Å; F10-L16 HydrophobicContact CD2-CD1 3.76Å; F10-L16 HydrophobicContact CD2-CG 4.5Å; F10-L16 HydrophobicContact CE2-CD1 3.66Å; F10-L16 HydrophobicContact CG-CB 4.06Å; F10-L16 HydrophobicContact CZ-CD1 4.35Å; F10-Y19 HydrophobicContact CE1-CD2 4.48Å; F10-Y19 HydrophobicContact CE1-CG 4.08Å; F10-Y19 HydrophobicContact CE2-CD1 4.5Å; F10-Y19 AromaticContact CZ-CD1 3.82Å; F10-Y19 HydrophobicContact CZ-CD1 3.82Å; F10-Y19 HydrophobicContact CZ-CD2 4.12Å; F10-Y19 AromaticContact CZ-CG 3.57Å; F10-Y19 HydrophobicContact CZ-CG 3.57Å; F10-I67 HydrophobicContact CB-CB 4.35Å; F10-I67 PolarHBondContact N-O 3.44Å; F10-I67 PolarHBondContact O-N 3.05Å; F10-L69 HydrophobicContact CD2-CB 4.41Å; F10-L69 HydrophobicContact CE2-CB 3.86Å; F10-L69 HydrophobicContact CE2-CD2 3.89Å; F10-L69 HydrophobicContact CE2-CG 4.49Å; F10-L69 HydrophobicContact CZ-CD2 4.39Å |
| 11 | E | 92.1 | Very high | 89.2 | Confident | 152 Ų | 152 | 79.5 Ų | 79.5 | 71% | 0.71 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -85.3 | -31.7 | 178.2 | -66.2 | -180 | -172.4 | 0 | 0 | 111 | E15 | E11-E15 PolarHBondContact N-OE2 2.66Š|
| 12 | T | 91.2 | Very high | 90.4 | Very high | 59 Ų | 59 | 79.7 Ų | 79.7 | 36% | 0.362 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -130.4 | 152.8 | -175.4 | 72 | 0 | 0 | 0 | 0 | 112.9 | E15 L16 I67 | T12-E15 PolarHBondContact O-N 3.07Å; T12-E15 WeakPolarHBondContact OG1-CG 3.19Å; T12-L16 PolarHBondContact O-N 3.26Å; T12-I67 VanDerWaalsContact C-CD1 3.44Å; T12-I67 WeakPolarHBondContact O-CD1 3.49Å |
| 13 | M | 89.5 | Confident | 91.2 | Very high | 58 Ų | 58 | 71.5 Ų | 71.5 | 29% | 0.286 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -60.3 | -41.3 | 175.5 | -82 | -63.9 | -56.1 | 0 | 0 | 113.4 | E15 L16 E17 I39 V60 I67 | M13-E15 PolarHBondContact O-N 3.46Å; M13-L16 WeakPolarHBondContact O-CB 3.38Å; M13-L16 PolarHBondContact O-N 2.92Å; M13-L16 HydrophobicContact SD-CD2 4.29Å; M13-E17 WeakPolarHBondContact O-CG 3.36Å; M13-E17 PolarHBondContact O-N 3.34Å; M13-I39 HydrophobicContact CE-CD1 3.67Å; M13-I39 HydrophobicContact SD-CD1 4.15Å; M13-V60 HydrophobicContact SD-CG2 4.26Å; M13-I67 HydrophobicContact CB-CD1 4.33Å; M13-I67 HydrophobicContact CG-CD1 3.8Å; M13-I67 HydrophobicContact SD-CD1 3.55Å; M13-I67 VanDerWaalsContact SD-CD1 3.55Å; M13-I67 HydrophobicContact SD-CG1 4.46Å |
| 14 | P | 93 | Very high | 91.3 | Very high | 82 Ų | 82 | 70.5 Ų | 70.5 | 53% | 0.532 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -57.7 | -42.2 | 176 | -28.4 | 37.3 | 0 | 0 | 0 | 114 | L16 E17 D18 | P14-L16 VanDerWaalsContact C-N 3.34Å; P14-L16 PolarHBondContact O-N 2.9Å; P14-E17 PolarHBondContact O-N 3.24Å; P14-E17 VanDerWaalsContact O-N 3.13Å; P14-D18 PolarHBondContact O-N 2.93Å |
| 15 | E | 93.8 | Very high | 91.3 | Very high | 87 Ų | 87 | 68.7 Ų | 68.7 | 41% | 0.407 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -61.9 | -42.4 | 177.3 | -72.5 | 168.6 | -167 | 0 | 0 | 112.2 | F10 E11 T12 M13 E17 D18 Y19 | F10-E15 HydrophobicContact CB-CB 4.42Å; F10-E15 HydrophobicContact CD1-CB 3.87Å; E11-E15 PolarHBondContact N-OE2 2.66Å; T12-E15 PolarHBondContact O-N 3.07Å; T12-E15 WeakPolarHBondContact OG1-CG 3.19Å; M13-E15 PolarHBondContact O-N 3.46Å; E15-E17 VanDerWaalsContact C-N 3.33Å; E15-D18 PolarHBondContact O-N 3.45Å; E15-Y19 PolarHBondContact O-N 3.02Å |
| 16 | L | 93 | Very high | 91.1 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61.1 | -45.5 | 173.8 | 171.6 | 65.4 | 0 | 0 | 0 | 110.4 | F10 T12 M13 P14 D18 Y19 I20 Y41 A58 I67 L69 | F10-L16 HydrophobicContact CB-CB 4.32Å; F10-L16 HydrophobicContact CD2-CB 4.08Å; F10-L16 HydrophobicContact CD2-CD1 3.76Å; F10-L16 HydrophobicContact CD2-CG 4.5Å; F10-L16 HydrophobicContact CE2-CD1 3.66Å; F10-L16 HydrophobicContact CG-CB 4.06Å; F10-L16 HydrophobicContact CZ-CD1 4.35Å; T12-L16 PolarHBondContact O-N 3.26Å; M13-L16 WeakPolarHBondContact O-CB 3.38Å; M13-L16 PolarHBondContact O-N 2.92Å; M13-L16 HydrophobicContact SD-CD2 4.29Å; P14-L16 VanDerWaalsContact C-N 3.34Å; P14-L16 PolarHBondContact O-N 2.9Å; L16-D18 VanDerWaalsContact C-N 3.34Å; L16-D18 PolarHBondContact O-N 3.14Å; L16-Y19 PolarHBondContact O-N 3.36Å; L16-I20 HydrophobicContact CD1-CD1 4.34Å; L16-I20 HydrophobicContact CD1-CG1 3.86Å; L16-I20 HydrophobicContact CG-CG1 4.18Å; L16-I20 WeakPolarHBondContact O-CB 3.25Å; L16-I20 WeakPolarHBondContact O-CG1 3.42Å; L16-I20 PolarHBondContact O-N 2.99Å; L16-Y41 WeakPolarHBondContact CD2-OH 3.39Å; L16-A58 HydrophobicContact CD2-CB 3.66Å; L16-I67 HydrophobicContact CD2-CG2 3.65Å; L16-L69 HydrophobicContact CD1-CD1 3.99Å; L16-L69 HydrophobicContact CD1-CD2 4.17Å; L16-L69 HydrophobicContact CD1-CG 4.46Å |
| 17 | E | 91.1 | Very high | 91 | Very high | 77 Ų | 77 | 62.4 Ų | 62.4 | 36% | 0.36 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -63.5 | -39.7 | -179.2 | -73.3 | -172.9 | 173.2 | 0 | 0 | 112.4 | M13 P14 E15 I20 K21 R30 | M13-E17 WeakPolarHBondContact O-CG 3.36Å; M13-E17 PolarHBondContact O-N 3.34Å; P14-E17 PolarHBondContact O-N 3.24Å; P14-E17 VanDerWaalsContact O-N 3.13Å; E15-E17 VanDerWaalsContact C-N 3.33Å; E17-I20 PolarHBondContact O-N 3.01Å; E17-K21 VanDerWaalsContact O-CG 3.3Å; E17-K21 WeakPolarHBondContact O-CG 3.45Å; E17-K21 PolarHBondContact O-N 3.07Å; E17-R30 IonicContact OE1-NH2 3.21Å |
| 18 | D | 91.3 | Very high | 90.9 | Very high | 87 Ų | 87 | 64.6 Ų | 64.6 | 47% | 0.465 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -65.6 | -43.8 | 175.1 | -75.3 | -16.3 | 0 | 0 | 0 | 111.6 | P14 E15 L16 I20 K21 T22 | P14-D18 PolarHBondContact O-N 2.93Å; E15-D18 PolarHBondContact O-N 3.45Å; L16-D18 VanDerWaalsContact C-N 3.34Å; L16-D18 PolarHBondContact O-N 3.14Å; D18-I20 PolarHBondContact O-N 2.9Å; D18-K21 WeakPolarHBondContact O-CB 3.37Å; D18-K21 PolarHBondContact O-N 3.11Å; D18-K21 IonicContact OD1-NZ 2.7Å; D18-K21 PolarHBondContact OD1-NZ 3.39Å; D18-T22 WeakPolarHBondContact O-CG2 3.32Å; D18-T22 PolarHBondContact O-N 2.99Å |
| 19 | Y | 92.1 | Very high | 90.8 | Very high | 71 Ų | 71 | 58.5 Ų | 58.5 | 28% | 0.278 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -57.7 | -48.5 | 171.8 | -178 | -96.5 | 0 | 0 | 0 | 111.4 | V7 F10 E15 L16 K21 T22 V23 L69 | V7-Y19 HydrophobicContact CG1-CE1 4.49Å; F10-Y19 HydrophobicContact CE1-CD2 4.48Å; F10-Y19 HydrophobicContact CE1-CG 4.08Å; F10-Y19 HydrophobicContact CE2-CD1 4.5Å; F10-Y19 AromaticContact CZ-CD1 3.82Å; F10-Y19 HydrophobicContact CZ-CD1 3.82Å; F10-Y19 HydrophobicContact CZ-CD2 4.12Å; F10-Y19 AromaticContact CZ-CG 3.57Å; F10-Y19 HydrophobicContact CZ-CG 3.57Å; E15-Y19 PolarHBondContact O-N 3.02Å; L16-Y19 PolarHBondContact O-N 3.36Å; Y19-K21 VanDerWaalsContact C-N 3.27Å; Y19-K21 PolarHBondContact O-N 2.95Å; Y19-T22 WeakPolarHBondContact O-CA 3.46Å; Y19-T22 WeakPolarHBondContact O-CB 3.49Å; Y19-T22 PolarHBondContact O-N 3.3Å; Y19-T22 PolarHBondContact O-OG1 3.05Å; Y19-V23 HydrophobicContact CD1-CG2 3.8Å; Y19-V23 HydrophobicContact CE1-CG2 3.5Å; Y19-V23 HydrophobicContact CG-CG2 4.47Å; Y19-V23 WeakPolarHBondContact O-CG2 3.28Å; Y19-V23 PolarHBondContact O-N 3.25Å; Y19-L69 HydrophobicContact CD1-CD2 3.65Å; Y19-L69 HydrophobicContact CE1-CD2 3.47Å; Y19-L69 VanDerWaalsContact CE1-CD2 3.47Å |
| 20 | I | 90.9 | Very high | 90.7 | Very high | 11 Ų | 11 | 63.7 Ų | 63.7 | 6% | 0.056 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -58.9 | -37.3 | 179.8 | -72.8 | -68 | 0 | 0 | 0 | 112.1 | L16 E17 D18 T22 V23 N24 V25 Y41 L69 | L16-I20 HydrophobicContact CD1-CD1 4.34Å; L16-I20 HydrophobicContact CD1-CG1 3.86Å; L16-I20 HydrophobicContact CG-CG1 4.18Å; L16-I20 WeakPolarHBondContact O-CB 3.25Å; L16-I20 WeakPolarHBondContact O-CG1 3.42Å; L16-I20 PolarHBondContact O-N 2.99Å; E17-I20 PolarHBondContact O-N 3.01Å; D18-I20 PolarHBondContact O-N 2.9Å; I20-T22 VanDerWaalsContact C-N 3.33Å; I20-T22 PolarHBondContact O-N 3.09Å; I20-V23 PolarHBondContact O-N 3.44Å; I20-N24 PolarHBondContact O-N 3.34Å; I20-V25 HydrophobicContact CB-CG2 4.42Å; I20-V25 HydrophobicContact CD1-CG2 3.59Å; I20-V25 HydrophobicContact CG2-CG2 3.78Å; I20-V25 VanDerWaalsContact CG2-O 3.27Å; I20-V25 WeakPolarHBondContact CG2-O 3.35Å; I20-V25 PolarHBondContact O-N 2.85Å; I20-Y41 HydrophobicContact CB-CE1 4.4Å; I20-Y41 HydrophobicContact CD1-CD1 3.91Å; I20-Y41 HydrophobicContact CD1-CD2 3.92Å; I20-Y41 HydrophobicContact CD1-CE1 4Å; I20-Y41 HydrophobicContact CD1-CE2 4.04Å; I20-Y41 HydrophobicContact CD1-CG 3.87Å; I20-Y41 HydrophobicContact CG1-CD1 4.2Å; I20-Y41 HydrophobicContact CG1-CE1 3.86Å; I20-Y41 HydrophobicContact CG1-CE2 4.42Å; I20-Y41 HydrophobicContact CG2-CD1 3.77Å; I20-Y41 HydrophobicContact CG2-CE1 3.83Å; I20-L69 HydrophobicContact CD1-CD1 4.41Å |
| 21 | K | 86.8 | Confident | 90.5 | Very high | 123 Ų | 123 | 65.2 Ų | 65.2 | 54% | 0.535 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -60.4 | -41.9 | 172.8 | -70.6 | 167 | -160.9 | 159.5 | 0 | 111.2 | E17 D18 Y19 V23 N24 | E17-K21 VanDerWaalsContact O-CG 3.3Å; E17-K21 WeakPolarHBondContact O-CG 3.45Å; E17-K21 PolarHBondContact O-N 3.07Å; D18-K21 WeakPolarHBondContact O-CB 3.37Å; D18-K21 PolarHBondContact O-N 3.11Å; D18-K21 IonicContact OD1-NZ 2.7Å; D18-K21 PolarHBondContact OD1-NZ 3.39Å; Y19-K21 VanDerWaalsContact C-N 3.27Å; Y19-K21 PolarHBondContact O-N 2.95Å; K21-V23 VanDerWaalsContact C-N 3.32Å; K21-V23 PolarHBondContact O-N 3.41Å; K21-N24 PolarHBondContact O-N 3.09Å |
| 22 | T | 87.6 | Confident | 90.3 | Very high | 105 Ų | 105 | 64 Ų | 64 | 64% | 0.644 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -64.4 | -33.5 | 179.2 | 73.3 | 0 | 0 | 0 | 0 | 113.4 | D18 Y19 I20 N24 | D18-T22 WeakPolarHBondContact O-CG2 3.32Å; D18-T22 PolarHBondContact O-N 2.99Å; Y19-T22 WeakPolarHBondContact O-CA 3.46Å; Y19-T22 WeakPolarHBondContact O-CB 3.49Å; Y19-T22 PolarHBondContact O-N 3.3Å; Y19-T22 PolarHBondContact O-OG1 3.05Å; I20-T22 VanDerWaalsContact C-N 3.33Å; I20-T22 PolarHBondContact O-N 3.09Å; T22-N24 VanDerWaalsContact C-N 3.31Å; T22-N24 PolarHBondContact O-N 3.47Å |
| 23 | V | 86.6 | Confident | 89.7 | Confident | 6 Ų | 6 | 64.2 Ų | 64.2 | 4% | 0.036 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | 2.8 | -177.6 | -130.2 | 0 | 0 | 0 | 0 | 114 | Y19 I20 K21 V25 F56 H75 | Y19-V23 HydrophobicContact CD1-CG2 3.8Å; Y19-V23 HydrophobicContact CE1-CG2 3.5Å; Y19-V23 HydrophobicContact CG-CG2 4.47Å; Y19-V23 WeakPolarHBondContact O-CG2 3.28Å; Y19-V23 PolarHBondContact O-N 3.25Å; I20-V23 PolarHBondContact O-N 3.44Å; K21-V23 VanDerWaalsContact C-N 3.32Å; K21-V23 PolarHBondContact O-N 3.41Å; V23-V25 VanDerWaalsContact C-N 3.3Å; V23-V25 PolarHBondContact O-N 2.97Å; V23-F56 HydrophobicContact CB-CZ 4.41Å; V23-F56 HydrophobicContact CG1-CE2 4.36Å; V23-F56 HydrophobicContact CG1-CZ 3.93Å; V23-H75 PolarHBondContact O-NE2 2.86Å |
| 24 | N | 85.7 | Confident | 89.3 | Confident | 36 Ų | 36 | 72.2 Ų | 72.2 | 19% | 0.193 | 37% | 0.365 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.3 | 38.6 | -179.6 | -160.5 | 22.6 | 0 | 0 | 0 | 114.1 | I20 K21 T22 K44 E45 | I20-N24 PolarHBondContact O-N 3.34Å; K21-N24 PolarHBondContact O-N 3.09Å; T22-N24 VanDerWaalsContact C-N 3.31Å; T22-N24 PolarHBondContact O-N 3.47Å; N24-K44 PolarHBondContact O-N 2.92Å; N24-K44 VanDerWaalsContact O-N 3.12Å; N24-E45 PolarHBondContact ND2-OE1 2.9Å |
| 25 | V | 89.3 | Confident | 88.5 | Confident | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 148.7 | 174.4 | -58 | 0 | 0 | 0 | 0 | 110.9 | I20 V23 Y41 R42 K44 I54 F56 | I20-V25 HydrophobicContact CB-CG2 4.42Å; I20-V25 HydrophobicContact CD1-CG2 3.59Å; I20-V25 HydrophobicContact CG2-CG2 3.78Å; I20-V25 VanDerWaalsContact CG2-O 3.27Å; I20-V25 WeakPolarHBondContact CG2-O 3.35Å; I20-V25 PolarHBondContact O-N 2.85Å; V23-V25 VanDerWaalsContact C-N 3.3Å; V23-V25 PolarHBondContact O-N 2.97Å; V25-Y41 HydrophobicContact CG2-CG 4.44Å; V25-R42 CarbonylContact C-O 3.49Å; V25-R42 VanDerWaalsContact CA-O 3.27Å; V25-R42 WeakPolarHBondContact CA-O 3.25Å; V25-R42 WeakPolarHBondContact CB-O 3.05Å; V25-K44 WeakPolarHBondContact O-CE 3.34Å; V25-I54 HydrophobicContact CG1-CG2 4.4Å; V25-F56 HydrophobicContact CB-CD2 4.28Å; V25-F56 HydrophobicContact CG1-CD2 3.79Å; V25-F56 HydrophobicContact CG1-CE2 3.68Å; V25-F56 HydrophobicContact CG2-CD2 3.87Å; V25-F56 HydrophobicContact CG2-CE2 4.22Å |
| 26 | G | 88.5 | Confident | 88 | Confident | 20 Ų | 20 | 68.3 Ų | 68.3 | 21% | 0.206 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 156.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | K28 Y41 R42 | G26-K28 PolarHBondContact O-N 3.11Å; G26-Y41 CarbonylContact O-C 3.5Å; G26-Y41 WeakPolarHBondContact O-CA 3.45Å; G26-Y41 WeakPolarHBondContact O-CB 3.35Å; G26-R42 PolarHBondContact N-O 3.12Å; G26-R42 PolarHBondContact O-N 3.01Å |
| 27 | V | 92.7 | Very high | 87.9 | Confident | 75 Ų | 75 | 70.8 Ų | 70.8 | 46% | 0.455 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 127 | 177.1 | -179.1 | 0 | 0 | 0 | 0 | 108.9 | R30 I39 Y41 | V27-R30 HydrophobicContact CG1-CG 4.07Å; V27-I39 HydrophobicContact CG1-CG2 4.11Å; V27-I39 HydrophobicContact CG2-CG2 4.5Å; V27-Y41 HydrophobicContact CB-CD1 4.49Å; V27-Y41 HydrophobicContact CG2-CD1 3.93Å; V27-Y41 HydrophobicContact CG2-CE1 3.61Å |
| 28 | K | 90.8 | Very high | 87.9 | Confident | 93 Ų | 93 | 70.8 Ų | 70.8 | 40% | 0.404 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | -50.3 | 171.6 | -175.3 | -160.4 | 174.3 | -160.7 | 0 | 110.3 | G26 R40 R42 | G26-K28 PolarHBondContact O-N 3.11Å; K28-R40 WeakPolarHBondContact CB-O 3.49Å; K28-R40 PolarHBondContact N-O 3.32Å; K28-R42 HydrophobicContact CB-CG 4.19Å; K28-R42 HydrophobicContact CD-CG 4.08Å; K28-R42 HydrophobicContact CG-CG 4.39Å |
| 29 | D | 92.1 | Very high | 88 | Confident | 32 Ų | 32 | 66.6 Ų | 66.6 | 17% | 0.171 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.1 | 152.6 | -176.9 | 61.2 | -82.4 | 0 | 0 | 0 | 111.2 | R40 | D29-R40 PolarHBondContact N-O 3.36Å; D29-R40 PolarHBondContact O-N 3.22Å; D29-R40 WeakPolarHBondContact OD1-CB 3.34Å; D29-R40 IonicContact OD1-CZ 2.73Å; D29-R40 IonicContact OD1-NE 3.36Å; D29-R40 PolarHBondContact OD1-NE 3.36Å; D29-R40 IonicContact OD1-NH2 3.43Å; D29-R40 PolarHBondContact OD1-NH2 2.83Å; D29-R40 IonicContact OD2-CZ 2.74Å; D29-R40 IonicContact OD2-NE 3.1Å; D29-R40 PolarHBondContact OD2-NE 2.99Å; D29-R40 IonicContact OD2-NH2 3.5Å; D29-R40 PolarHBondContact OD2-NH2 3.3Å |
| 30 | R | 92.2 | Very high | 88.1 | Confident | 151 Ų | 151 | 67.3 Ų | 67.3 | 57% | 0.57 | 34% | 0.342 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 126.3 | 172.7 | -64.9 | -180 | 176.2 | -175 | -3.5 | 106.6 | E17 V27 I39 | E17-R30 IonicContact OE1-NH2 3.21Å; V27-R30 HydrophobicContact CG1-CG 4.07Å; R30-I39 HydrophobicContact CG-CG1 4.28Å; R30-I39 HydrophobicContact CG-CG2 4.08Å |
| 31 | S | 90 | Very high | 88.3 | Confident | 45 Ų | 45 | 67 Ų | 67 | 32% | 0.315 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 130.5 | 178.9 | 61.5 | 0 | 0 | 0 | 0 | 109.4 | R38 | S31-R38 PolarHBondContact N-O 3.14Å; S31-R38 PolarHBondContact O-N 3.39Å; S31-R38 PolarHBondContact OG-O 3.14Å |
| 32 | T | 87.2 | Confident | 88.5 | Confident | 125 Ų | 125 | 64 Ų | 64 | 77% | 0.767 | 33% | 0.326 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79 | 143.6 | 169.9 | 49.7 | 0 | 0 | 0 | 0 | 109.7 | L37 | T32-L37 HydrophobicContact CG2-CD1 4.05Å |
| 33 | F | 80.4 | Confident | 88.7 | Confident | 65 Ų | 65 | 59.3 Ų | 59.3 | 29% | 0.285 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 163.3 | 172.5 | 72.5 | -75.8 | 0 | 0 | 0 | 108.9 | S35 G36 R38 K59 | F33-S35 VanDerWaalsContact CD2-N 3.27Å; F33-S35 WeakPolarHBondContact CD2-OG 3.41Å; F33-S35 VanDerWaalsContact CE2-CA 3.43Å; F33-S35 WeakPolarHBondContact CE2-OG 3.43Å; F33-S35 WeakPolarHBondContact CZ-O 3.25Å; F33-S35 PolarHBondContact O-N 2.99Å; F33-G36 WeakPolarHBondContact CD1-O 3.32Å; F33-G36 WeakPolarHBondContact CE1-O 3.38Å; F33-G36 VanDerWaalsContact CZ-N 3.34Å; F33-G36 PolarHBondContact N-O 3.46Å; F33-G36 PolarHBondContact O-N 3.06Å; F33-R38 HydrophobicContact CD1-CB 4.16Å; F33-R38 HydrophobicContact CE1-CB 4.41Å; F33-K59 HydrophobicContact CE1-CG 4Å; F33-K59 VanDerWaalsContact CE2-CE 3.4Å; F33-K59 HydrophobicContact CZ-CD 4.03Å; F33-K59 HydrophobicContact CZ-CG 3.68Å |
| 34 | K | 79.9 | Confident | 88.8 | Confident | 225 Ų | 225 | 64.9 Ų | 64.9 | 98% | 0.978 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | -25.1 | -177.3 | -67.4 | -174.6 | 178.2 | -176.5 | 0 | 114.4 | ||
| 35 | S | 76.4 | Confident | 88.7 | Confident | 67 Ų | 67 | 64.8 Ų | 64.8 | 47% | 0.469 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108 | 11.8 | -178.8 | 8.1 | 0 | 0 | 0 | 0 | 114.9 | F33 A62 | F33-S35 VanDerWaalsContact CD2-N 3.27Å; F33-S35 WeakPolarHBondContact CD2-OG 3.41Å; F33-S35 VanDerWaalsContact CE2-CA 3.43Å; F33-S35 WeakPolarHBondContact CE2-OG 3.43Å; F33-S35 WeakPolarHBondContact CZ-O 3.25Å; F33-S35 PolarHBondContact O-N 2.99Å; S35-A62 PolarHBondContact O-N 3.39Å |
| 36 | G | 84.2 | Confident | 88.5 | Confident | 21 Ų | 21 | 70.7 Ų | 70.7 | 22% | 0.216 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 143.3 | -147.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | F33 V60 | F33-G36 WeakPolarHBondContact CD1-O 3.32Å; F33-G36 WeakPolarHBondContact CE1-O 3.38Å; F33-G36 VanDerWaalsContact CZ-N 3.34Å; F33-G36 PolarHBondContact N-O 3.46Å; F33-G36 PolarHBondContact O-N 3.06Å; G36-V60 WeakPolarHBondContact CA-O 3.28Å |
| 37 | L | 89.3 | Confident | 88.3 | Confident | 52 Ų | 52 | 81.6 Ų | 81.6 | 27% | 0.272 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 133.9 | 178.7 | -177.2 | 71.9 | 0 | 0 | 0 | 110.5 | T32 I39 V60 | T32-L37 HydrophobicContact CG2-CD1 4.05Å; L37-I39 HydrophobicContact CD2-CD1 3.91Å; L37-I39 HydrophobicContact CD2-CG1 3.92Å; L37-I39 HydrophobicContact CG-CG1 4.05Å; L37-V60 HydrophobicContact CB-CB 3.99Å; L37-V60 HydrophobicContact CB-CG2 3.97Å; L37-V60 HydrophobicContact CD2-CG2 4.28Å; L37-V60 HydrophobicContact CG-CG2 4.47Å; L37-V60 PolarHBondContact N-O 2.71Å; L37-V60 PolarHBondContact O-N 3.07Å |
| 38 | R | 92 | Very high | 87.9 | Confident | 76 Ų | 76 | 84.8 Ų | 84.8 | 29% | 0.287 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 127.7 | 170.5 | -175.9 | -179 | -175.5 | -172 | 0.1 | 109.3 | S31 F33 A58 | S31-R38 PolarHBondContact N-O 3.14Å; S31-R38 PolarHBondContact O-N 3.39Å; S31-R38 PolarHBondContact OG-O 3.14Å; F33-R38 HydrophobicContact CD1-CB 4.16Å; F33-R38 HydrophobicContact CE1-CB 4.41Å; R38-A58 CarbonylContact C-O 3.59Å; R38-A58 WeakPolarHBondContact CA-O 3.4Å |
| 39 | I | 93.7 | Very high | 87.6 | Confident | 0 Ų | 0 | 83.1 Ų | 83.1 | 0% | 0 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 127 | 177.8 | -48.6 | 175.5 | 0 | 0 | 0 | 107.9 | M13 V27 R30 L37 Y41 A57 A58 | M13-I39 HydrophobicContact CE-CD1 3.67Å; M13-I39 HydrophobicContact SD-CD1 4.15Å; V27-I39 HydrophobicContact CG1-CG2 4.11Å; V27-I39 HydrophobicContact CG2-CG2 4.5Å; R30-I39 HydrophobicContact CG-CG1 4.28Å; R30-I39 HydrophobicContact CG-CG2 4.08Å; L37-I39 HydrophobicContact CD2-CD1 3.91Å; L37-I39 HydrophobicContact CD2-CG1 3.92Å; L37-I39 HydrophobicContact CG-CG1 4.05Å; I39-Y41 HydrophobicContact CB-CE2 3.89Å; I39-Y41 HydrophobicContact CG2-CD2 4.28Å; I39-Y41 HydrophobicContact CG2-CE1 3.96Å; I39-Y41 HydrophobicContact CG2-CE2 3.58Å; I39-Y41 WeakPolarHBondContact CG2-OH 3.23Å; I39-A57 CarbonylContact O-C 3.52Å; I39-A57 VanDerWaalsContact O-CA 3.3Å; I39-A57 WeakPolarHBondContact O-CA 3.09Å; I39-A58 HydrophobicContact CB-CB 4.34Å; I39-A58 PolarHBondContact N-O 2.96Å; I39-A58 PolarHBondContact O-N 3.4Å |
| 40 | R | 93.8 | Very high | 87.2 | Confident | 86 Ų | 86 | 86.4 Ų | 86.4 | 33% | 0.325 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 139.4 | 173.5 | -63.6 | -171.3 | -69.9 | -160.8 | -9.5 | 109.8 | K28 D29 F56 | K28-R40 WeakPolarHBondContact CB-O 3.49Å; K28-R40 PolarHBondContact N-O 3.32Å; D29-R40 PolarHBondContact N-O 3.36Å; D29-R40 PolarHBondContact O-N 3.22Å; D29-R40 WeakPolarHBondContact OD1-CB 3.34Å; D29-R40 IonicContact OD1-CZ 2.73Å; D29-R40 IonicContact OD1-NE 3.36Å; D29-R40 PolarHBondContact OD1-NE 3.36Å; D29-R40 IonicContact OD1-NH2 3.43Å; D29-R40 PolarHBondContact OD1-NH2 2.83Å; D29-R40 IonicContact OD2-CZ 2.74Å; D29-R40 IonicContact OD2-NE 3.1Å; D29-R40 PolarHBondContact OD2-NE 2.99Å; D29-R40 IonicContact OD2-NH2 3.5Å; D29-R40 PolarHBondContact OD2-NH2 3.3Å; R40-F56 CarbonylContact C-O 3.56Å; R40-F56 WeakPolarHBondContact CA-O 3.5Å |
| 41 | Y | 94.3 | Very high | 86.9 | Confident | 3 Ų | 3 | 86.3 Ų | 86.3 | 1% | 0.012 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 151.7 | 177.8 | -50 | -100.2 | 0 | 0 | 0 | 110.8 | L16 I20 V25 G26 V27 I39 Q55 F56 A58 | L16-Y41 WeakPolarHBondContact CD2-OH 3.39Å; I20-Y41 HydrophobicContact CB-CE1 4.4Å; I20-Y41 HydrophobicContact CD1-CD1 3.91Å; I20-Y41 HydrophobicContact CD1-CD2 3.92Å; I20-Y41 HydrophobicContact CD1-CE1 4Å; I20-Y41 HydrophobicContact CD1-CE2 4.04Å; I20-Y41 HydrophobicContact CD1-CG 3.87Å; I20-Y41 HydrophobicContact CG1-CD1 4.2Å; I20-Y41 HydrophobicContact CG1-CE1 3.86Å; I20-Y41 HydrophobicContact CG1-CE2 4.42Å; I20-Y41 HydrophobicContact CG2-CD1 3.77Å; I20-Y41 HydrophobicContact CG2-CE1 3.83Å; V25-Y41 HydrophobicContact CG2-CG 4.44Å; G26-Y41 CarbonylContact O-C 3.5Å; G26-Y41 WeakPolarHBondContact O-CA 3.45Å; G26-Y41 WeakPolarHBondContact O-CB 3.35Å; V27-Y41 HydrophobicContact CB-CD1 4.49Å; V27-Y41 HydrophobicContact CG2-CD1 3.93Å; V27-Y41 HydrophobicContact CG2-CE1 3.61Å; I39-Y41 HydrophobicContact CB-CE2 3.89Å; I39-Y41 HydrophobicContact CG2-CD2 4.28Å; I39-Y41 HydrophobicContact CG2-CE1 3.96Å; I39-Y41 HydrophobicContact CG2-CE2 3.58Å; I39-Y41 WeakPolarHBondContact CG2-OH 3.23Å; Y41-Q55 WeakPolarHBondContact O-CA 3.32Å; Y41-F56 HydrophobicContact CD2-CB 4.01Å; Y41-F56 HydrophobicContact CG-CB 4.43Å; Y41-F56 PolarHBondContact N-O 3.42Å; Y41-F56 PolarHBondContact O-N 3.33Å; Y41-A58 HydrophobicContact CE2-CB 3.88Å |
| 42 | R | 92.5 | Very high | 86.7 | Confident | 62 Ų | 62 | 84.3 Ų | 84.3 | 23% | 0.234 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 160.1 | 175.2 | -73.3 | -170.2 | 169.4 | 172.9 | 1.1 | 110.5 | V25 G26 K28 K44 Q55 | V25-R42 CarbonylContact C-O 3.49Å; V25-R42 VanDerWaalsContact CA-O 3.27Å; V25-R42 WeakPolarHBondContact CA-O 3.25Å; V25-R42 WeakPolarHBondContact CB-O 3.05Å; G26-R42 PolarHBondContact N-O 3.12Å; G26-R42 PolarHBondContact O-N 3.01Å; K28-R42 HydrophobicContact CB-CG 4.19Å; K28-R42 HydrophobicContact CD-CG 4.08Å; K28-R42 HydrophobicContact CG-CG 4.39Å; R42-K44 PolarHBondContact O-N 2.97Å; R42-Q55 HydrophobicContact CG-CG 4.4Å |
| 43 | C | 90.6 | Very high | 86.6 | Confident | 6 Ų | 6 | 80.3 Ų | 80.3 | 4% | 0.041 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.7 | 130.9 | 173.5 | -176.8 | 0 | 0 | 0 | 0 | 111.7 | E45 R46 C52 I54 H77 | C43-E45 PolarHBondContact O-N 2.87Å; C43-E45 PolarHBondContact SG-N 3.17Å; C43-R46 WeakPolarHBondContact O-CB 3.49Å; C43-R46 PolarHBondContact O-N 2.86Å; C43-C52 HydrophobicContact CB-CB 4.26Å; C43-C52 VanDerWaalsContact CB-SG 3.57Å; C43-I54 HydrophobicContact CB-CG2 3.69Å; C43-H77 PolarHBondContact SG-NE2 3.21Å |
| 44 | K | 88.5 | Confident | 87.2 | Confident | 122 Ų | 122 | 77.5 Ų | 77.5 | 53% | 0.53 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -28.5 | 175.3 | -68.3 | -175.4 | -177.9 | 175.9 | 0 | 112 | N24 V25 R42 R46 | N24-K44 PolarHBondContact O-N 2.92Å; N24-K44 VanDerWaalsContact O-N 3.12Å; V25-K44 WeakPolarHBondContact O-CE 3.34Å; R42-K44 PolarHBondContact O-N 2.97Å; K44-R46 VanDerWaalsContact C-N 3.32Å; K44-R46 PolarHBondContact O-N 3.22Å |
| 45 | E | 85.2 | Confident | 87.8 | Confident | 34 Ų | 34 | 69.4 Ų | 69.4 | 16% | 0.159 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | 10.9 | -177.4 | -60 | -176.1 | -173.7 | 0 | 0 | 113.3 | N24 C43 R47 K48 F49 H77 | N24-E45 PolarHBondContact ND2-OE1 2.9Å; C43-E45 PolarHBondContact O-N 2.87Å; C43-E45 PolarHBondContact SG-N 3.17Å; E45-R47 PolarHBondContact O-N 2.87Å; E45-K48 WeakPolarHBondContact O-CA 3.45Å; E45-K48 PolarHBondContact O-N 3.41Å; E45-F49 HydrophobicContact CB-CD2 3.95Å; E45-F49 PolarHBondContact O-N 3.01Å; E45-F49 WeakPolarHBondContact OE2-CE2 3.35Å; E45-H77 IonicContact OE2-CE1 3.74Å; E45-H77 IonicContact OE2-ND1 3.8Å |
| 46 | R | 84.3 | Confident | 88.6 | Confident | 124 Ų | 124 | 66.3 Ų | 66.3 | 47% | 0.468 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -27 | 179.6 | -175 | 173.9 | 178.8 | -112.4 | -2.7 | 114.1 | C43 K44 K48 F49 P50 | C43-R46 WeakPolarHBondContact O-CB 3.49Å; C43-R46 PolarHBondContact O-N 2.86Å; K44-R46 VanDerWaalsContact C-N 3.32Å; K44-R46 PolarHBondContact O-N 3.22Å; R46-K48 VanDerWaalsContact C-N 3.35Å; R46-F49 WeakPolarHBondContact CA-O 3.48Å; R46-F49 CarbonylContact O-C 3.23Å; R46-F49 VanDerWaalsContact O-C 3.23Å; R46-P50 WeakPolarHBondContact O-CA 3.4Å |
| 47 | R | 83.7 | Confident | 89.1 | Confident | 249 Ų | 249 | 65.3 Ų | 65.3 | 94% | 0.94 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -33 | 173.5 | -71.2 | -173.2 | 178.5 | 166.9 | -0.4 | 113 | E45 | E45-R47 PolarHBondContact O-N 2.87Š|
| 48 | K | 84.5 | Confident | 89.3 | Confident | 143 Ų | 143 | 62.9 Ų | 62.9 | 62% | 0.622 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | -33.7 | 176.3 | -59.6 | -177 | -176.1 | 174.8 | 0 | 111.5 | E45 R46 L81 | E45-K48 WeakPolarHBondContact O-CA 3.45Å; E45-K48 PolarHBondContact O-N 3.41Å; R46-K48 VanDerWaalsContact C-N 3.35Å; K48-L81 HydrophobicContact CB-CD1 4.2Å; K48-L81 HydrophobicContact CD-CD1 3.41Å; K48-L81 VanDerWaalsContact CD-CD1 3.41Å; K48-L81 HydrophobicContact CG-CD1 4.46Å |
| 49 | F | 84.3 | Confident | 89.4 | Confident | 57 Ų | 57 | 61.9 Ų | 61.9 | 25% | 0.25 | 28% | 0.283 | C | S | . | . | trans | -124.2 | 81.9 | -178.9 | -59 | -64.3 | 0 | 0 | 0 | 110.2 | E45 R46 E51 C52 H77 L81 | E45-F49 HydrophobicContact CB-CD2 3.95Å; E45-F49 PolarHBondContact O-N 3.01Å; E45-F49 WeakPolarHBondContact OE2-CE2 3.35Å; R46-F49 WeakPolarHBondContact CA-O 3.48Å; R46-F49 CarbonylContact O-C 3.23Å; R46-F49 VanDerWaalsContact O-C 3.23Å; F49-E51 PolarHBondContact O-N 3.38Å; F49-C52 HydrophobicContact CB-CB 4.07Å; F49-C52 VanDerWaalsContact O-CB 3.25Å; F49-C52 WeakPolarHBondContact O-CB 3.31Å; F49-C52 PolarHBondContact O-N 3.09Å; F49-H77 HydrophobicContact CB-CB 4.37Å; F49-H77 HydrophobicContact CD1-CB 3.82Å; F49-H77 HydrophobicContact CD2-CB 3.56Å; F49-H77 AromaticContact CD2-CD2 3.35Å; F49-H77 WeakPolarHBondContact CD2-CD2 3.45Å; F49-H77 AromaticContact CD2-CE1 3.91Å; F49-H77 AromaticContact CD2-CG 3.22Å; F49-H77 AromaticContact CD2-ND1 3.6Å; F49-H77 AromaticContact CD2-NE2 3.78Å; F49-H77 HydrophobicContact CE1-CB 3.84Å; F49-H77 HydrophobicContact CE2-CB 3.52Å; F49-H77 AromaticContact CE2-CG 3.48Å; F49-H77 VanDerWaalsContact CE2-CG 3.48Å; F49-H77 AromaticContact CE2-ND1 3.63Å; F49-H77 HydrophobicContact CG-CB 3.66Å; F49-H77 AromaticContact CG-CD2 3.56Å; F49-H77 AromaticContact CG-CG 3.66Å; F49-H77 HydrophobicContact CZ-CB 3.67Å; F49-L81 HydrophobicContact CD2-CD1 4.12Å; F49-L81 HydrophobicContact CE2-CD1 3.12Å; F49-L81 HydrophobicContact CE2-CD2 4.33Å; F49-L81 HydrophobicContact CE2-CG 3.48Å; F49-L81 VanDerWaalsContact CE2-CG 3.48Å; F49-L81 HydrophobicContact CZ-CD1 3.38Å; F49-L81 HydrophobicContact CZ-CD2 3.75Å; F49-L81 HydrophobicContact CZ-CG 3.37Å | ||
| 50 | P | 84.1 | Confident | 89.3 | Confident | 102 Ų | 102 | 63.2 Ų | 63.2 | 66% | 0.662 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -27.6 | -179.4 | 24 | -33.1 | 0 | 0 | 0 | 112.5 | R46 C52 | R46-P50 WeakPolarHBondContact O-CA 3.4Å; P50-C52 PolarHBondContact O-N 2.94Å |
| 51 | E | 85.4 | Confident | 89.1 | Confident | 148 Ų | 148 | 61.7 Ų | 61.7 | 69% | 0.692 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -11.6 | 176.3 | -60.6 | -176.1 | -172.9 | 0 | 0 | 113.8 | F49 G53 K76 | F49-E51 PolarHBondContact O-N 3.38Å; E51-G53 PolarHBondContact O-N 3.43Å; E51-K76 HydrophobicContact CB-CD 4.49Å; E51-K76 WeakPolarHBondContact O-CD 3.45Å |
| 52 | C | 85.8 | Confident | 88.5 | Confident | 3 Ų | 3 | 65.3 Ų | 65.3 | 2% | 0.02 | 32% | 0.317 | C | S | . | . | trans | -69.7 | 94 | 176.5 | -165.2 | 0 | 0 | 0 | 0 | 110.9 | C43 F49 P50 I54 H75 H77 | C43-C52 HydrophobicContact CB-CB 4.26Å; C43-C52 VanDerWaalsContact CB-SG 3.57Å; F49-C52 HydrophobicContact CB-CB 4.07Å; F49-C52 VanDerWaalsContact O-CB 3.25Å; F49-C52 WeakPolarHBondContact O-CB 3.31Å; F49-C52 PolarHBondContact O-N 3.09Å; P50-C52 PolarHBondContact O-N 2.94Å; C52-I54 VanDerWaalsContact C-N 3.32Å; C52-I54 PolarHBondContact O-N 3.37Å; C52-H75 PolarHBondContact SG-ND1 2.6Å; C52-H77 PolarHBondContact SG-CD2 3.02Å; C52-H77 PolarHBondContact SG-NE2 2.89Å | ||
| 53 | G | 86.4 | Confident | 88.1 | Confident | 42 Ų | 42 | 72.3 Ų | 72.3 | 43% | 0.433 | 35% | 0.35 | S | S | . | . | trans | -85.3 | 4.6 | -178 | 0 | 0 | 0 | 0 | 0 | 114.9 | E51 Q55 | E51-G53 PolarHBondContact O-N 3.43Å; G53-Q55 PolarHBondContact O-N 3.39Å | ||
| 54 | I | 91.2 | Very high | 87.7 | Confident | 6 Ų | 6 | 75.9 Ų | 75.9 | 3% | 0.031 | 37% | 0.371 | C | S | . | . | trans | -64.3 | 134 | -176.5 | -162.7 | 171.9 | 0 | 0 | 0 | 111.5 | V25 C43 C52 F56 K72 H75 | V25-I54 HydrophobicContact CG1-CG2 4.4Å; C43-I54 HydrophobicContact CB-CG2 3.69Å; C52-I54 VanDerWaalsContact C-N 3.32Å; C52-I54 PolarHBondContact O-N 3.37Å; I54-F56 HydrophobicContact CD1-CE2 3.53Å; I54-F56 HydrophobicContact CD1-CZ 3.95Å; I54-F56 HydrophobicContact CG1-CD2 4.38Å; I54-F56 HydrophobicContact CG1-CE2 3.78Å; I54-F56 HydrophobicContact CG1-CZ 4.47Å; I54-K72 WeakPolarHBondContact CA-O 3.46Å; I54-H75 VanDerWaalsContact CD1-CD2 3.48Å; I54-H75 WeakPolarHBondContact CD1-CD2 3.42Å | ||
| 55 | Q | 93.2 | Very high | 87.4 | Confident | 54 Ų | 54 | 74 Ų | 74 | 25% | 0.252 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 142.7 | 176.7 | -57.8 | -180 | 26.9 | 0 | 0 | 109.3 | Y4 Y41 R42 G53 R71 K72 | Y4-Q55 HydrophobicContact CE1-CB 4.47Å; Y4-Q55 PolarHBondContact OH-OE1 3.48Å; Y41-Q55 WeakPolarHBondContact O-CA 3.32Å; R42-Q55 HydrophobicContact CG-CG 4.4Å; G53-Q55 PolarHBondContact O-N 3.39Å; Q55-R71 CarbonylContact O-C 3.49Å; Q55-R71 WeakPolarHBondContact O-CA 3.37Å; Q55-K72 HydrophobicContact CB-CB 4.41Å; Q55-K72 PolarHBondContact N-O 3.44Å; Q55-K72 PolarHBondContact O-N 3.48Å |
| 56 | F | 94.1 | Very high | 87.6 | Confident | 2 Ų | 2 | 75.6 Ų | 75.6 | 1% | 0.009 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 151.6 | 165.5 | -65 | -103.1 | 0 | 0 | 0 | 109.8 | V7 V23 V25 R40 Y41 I54 L69 Y70 R71 | V7-F56 HydrophobicContact CG2-CE1 4.36Å; V23-F56 HydrophobicContact CB-CZ 4.41Å; V23-F56 HydrophobicContact CG1-CE2 4.36Å; V23-F56 HydrophobicContact CG1-CZ 3.93Å; V25-F56 HydrophobicContact CB-CD2 4.28Å; V25-F56 HydrophobicContact CG1-CD2 3.79Å; V25-F56 HydrophobicContact CG1-CE2 3.68Å; V25-F56 HydrophobicContact CG2-CD2 3.87Å; V25-F56 HydrophobicContact CG2-CE2 4.22Å; R40-F56 CarbonylContact C-O 3.56Å; R40-F56 WeakPolarHBondContact CA-O 3.5Å; Y41-F56 HydrophobicContact CD2-CB 4.01Å; Y41-F56 HydrophobicContact CG-CB 4.43Å; Y41-F56 PolarHBondContact N-O 3.42Å; Y41-F56 PolarHBondContact O-N 3.33Å; I54-F56 HydrophobicContact CD1-CE2 3.53Å; I54-F56 HydrophobicContact CD1-CZ 3.95Å; I54-F56 HydrophobicContact CG1-CD2 4.38Å; I54-F56 HydrophobicContact CG1-CE2 3.78Å; I54-F56 HydrophobicContact CG1-CZ 4.47Å; F56-L69 HydrophobicContact CB-CD1 3.95Å; F56-L69 HydrophobicContact CD1-CD1 4.1Å; F56-L69 HydrophobicContact CD1-CD2 3.94Å; F56-L69 HydrophobicContact CD1-CG 4.03Å; F56-L69 HydrophobicContact CE1-CD2 4.39Å; F56-L69 HydrophobicContact CG-CD1 4.49Å; F56-Y70 CarbonylContact C-O 3.56Å; F56-Y70 WeakPolarHBondContact CA-O 3.44Å; F56-R71 HydrophobicContact CD1-CB 3.97Å; F56-R71 HydrophobicContact CD1-CG 4.23Å; F56-R71 HydrophobicContact CE1-CB 3.77Å; F56-R71 HydrophobicContact CE1-CG 3.74Å; F56-R71 HydrophobicContact CE2-CG 4.43Å; F56-R71 HydrophobicContact CZ-CB 4.39Å; F56-R71 HydrophobicContact CZ-CG 3.84Å |
| 57 | A | 93.9 | Very high | 88 | Confident | 1 Ų | 1 | 69.9 Ų | 69.9 | 1% | 0.008 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 120 | 171.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | M1 Y4 I39 Y70 | M1-A57 HydrophobicContact SD-CB 4.27Å; Y4-A57 HydrophobicContact CD1-CB 4.12Å; Y4-A57 HydrophobicContact CE1-CB 3.66Å; I39-A57 CarbonylContact O-C 3.52Å; I39-A57 VanDerWaalsContact O-CA 3.3Å; I39-A57 WeakPolarHBondContact O-CA 3.09Å; A57-Y70 PolarHBondContact N-O 3.39Å; A57-Y70 WeakPolarHBondContact O-CD2 3.38Å; A57-Y70 PolarHBondContact O-N 3.33Å |
| 58 | A | 94.1 | Very high | 88.5 | Confident | 1 Ų | 1 | 58.7 Ų | 58.7 | 1% | 0.008 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 137.1 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | L16 R38 I39 Y41 I67 T68 L69 | L16-A58 HydrophobicContact CD2-CB 3.66Å; R38-A58 CarbonylContact C-O 3.59Å; R38-A58 WeakPolarHBondContact CA-O 3.4Å; I39-A58 HydrophobicContact CB-CB 4.34Å; I39-A58 PolarHBondContact N-O 2.96Å; I39-A58 PolarHBondContact O-N 3.4Å; Y41-A58 HydrophobicContact CE2-CB 3.88Å; A58-I67 HydrophobicContact CB-CG2 3.9Å; A58-T68 CarbonylContact C-O 3.53Å; A58-T68 WeakPolarHBondContact CA-O 3.23Å; A58-L69 HydrophobicContact CB-CD1 4.05Å |
| 59 | K | 93 | Very high | 89 | Confident | 55 Ų | 55 | 51.9 Ų | 51.9 | 24% | 0.239 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 114.5 | 172.3 | -172.8 | -179.2 | 178.8 | -174.6 | 0 | 107.8 | M1 F33 H61 I67 T68 Y70 | M1-K59 HydrophobicContact CE-CD 4.29Å; F33-K59 HydrophobicContact CE1-CG 4Å; F33-K59 VanDerWaalsContact CE2-CE 3.4Å; F33-K59 HydrophobicContact CZ-CD 4.03Å; F33-K59 HydrophobicContact CZ-CG 3.68Å; K59-H61 PolarHBondContact O-CD2 3.17Å; K59-I67 WeakPolarHBondContact O-CA 3.29Å; K59-T68 PolarHBondContact N-O 2.87Å; K59-T68 PolarHBondContact O-N 3.29Å; K59-Y70 HydrophobicContact CB-CE2 4.34Å |
| 60 | V | 92 | Very high | 89.5 | Confident | 28 Ų | 28 | 51.8 Ų | 51.8 | 17% | 0.17 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 116.2 | 173.7 | -172.4 | 0 | 0 | 0 | 0 | 107.3 | M13 G36 L37 I67 | M13-V60 HydrophobicContact SD-CG2 4.26Å; G36-V60 WeakPolarHBondContact CA-O 3.28Å; L37-V60 HydrophobicContact CB-CB 3.99Å; L37-V60 HydrophobicContact CB-CG2 3.97Å; L37-V60 HydrophobicContact CD2-CG2 4.28Å; L37-V60 HydrophobicContact CG-CG2 4.47Å; L37-V60 PolarHBondContact N-O 2.71Å; L37-V60 PolarHBondContact O-N 3.07Å; V60-I67 HydrophobicContact CG1-CG1 4.22Å; V60-I67 HydrophobicContact CG2-CG1 4.14Å; V60-I67 HydrophobicContact CG2-CG2 3.98Å |
| 61 | H | 89 | Confident | 89.9 | Confident | 54 Ų | 54 | 51.4 Ų | 51.4 | 25% | 0.25 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 117.1 | 180 | -72.6 | -101.6 | 0 | 0 | 0 | 110 | K59 K63 T64 S65 I66 T68 | K59-H61 PolarHBondContact O-CD2 3.17Å; H61-K63 PolarHBondContact O-N 3.37Å; H61-T64 WeakPolarHBondContact CB-OG1 3.36Å; H61-T64 PolarHBondContact O-N 2.89Å; H61-S65 WeakPolarHBondContact O-CA 3.34Å; H61-S65 PolarHBondContact O-N 3.28Å; H61-I66 PolarHBondContact N-O 2.92Å; H61-T68 PolarHBondContact NE2-OG1 2.96Å |
| 62 | A | 82.9 | Confident | 90.3 | Very high | 78 Ų | 78 | 48.3 Ų | 48.3 | 65% | 0.645 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -26.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | S35 | S35-A62 PolarHBondContact O-N 3.39Š|
| 63 | K | 83.9 | Confident | 90.5 | Very high | 210 Ų | 210 | 50.2 Ų | 50.2 | 91% | 0.913 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -36.5 | -177.3 | -66.5 | -171.8 | 177.1 | -171.7 | 0 | 114 | H61 | H61-K63 PolarHBondContact O-N 3.37Š|
| 64 | T | 82.7 | Confident | 90.5 | Very high | 80 Ų | 80 | 54.2 Ų | 54.2 | 49% | 0.491 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.3 | -8.7 | -171.3 | 55.7 | 0 | 0 | 0 | 0 | 112.6 | H61 I66 | H61-T64 WeakPolarHBondContact CB-OG1 3.36Å; H61-T64 PolarHBondContact O-N 2.89Å; T64-I66 PolarHBondContact O-N 3.18Å; T64-I66 PolarHBondContact OG1-N 3Å |
| 65 | S | 81.5 | Confident | 90.3 | Very high | 84 Ų | 84 | 55.7 Ų | 55.7 | 59% | 0.587 | 29% | 0.293 | S | S | * | . | trans | 58 | 2.9 | -168 | -57.4 | 0 | 0 | 0 | 0 | 114.6 | H61 | H61-S65 WeakPolarHBondContact O-CA 3.34Å; H61-S65 PolarHBondContact O-N 3.28Å | ||
| 66 | I | 89.4 | Confident | 89.9 | Confident | 67 Ų | 67 | 60.4 Ų | 60.4 | 34% | 0.344 | 31% | 0.313 | S | S | . | . | trans | -74.4 | 137 | 178 | -62 | 170.5 | 0 | 0 | 0 | 109.3 | H61 T64 | H61-I66 PolarHBondContact N-O 2.92Å; T64-I66 PolarHBondContact O-N 3.18Å; T64-I66 PolarHBondContact OG1-N 3Å | ||
| 67 | I | 93.1 | Very high | 89.3 | Confident | 3 Ų | 3 | 61.4 Ų | 61.4 | 2% | 0.015 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 109.1 | 176.9 | -47.3 | 162.1 | 0 | 0 | 0 | 109.2 | S9 F10 T12 M13 L16 A58 K59 V60 | S9-I67 CarbonylContact C-O 3.49Å; S9-I67 VanDerWaalsContact CA-O 3.3Å; S9-I67 WeakPolarHBondContact CA-O 3.47Å; F10-I67 HydrophobicContact CB-CB 4.35Å; F10-I67 PolarHBondContact N-O 3.44Å; F10-I67 PolarHBondContact O-N 3.05Å; T12-I67 VanDerWaalsContact C-CD1 3.44Å; T12-I67 WeakPolarHBondContact O-CD1 3.49Å; M13-I67 HydrophobicContact CB-CD1 4.33Å; M13-I67 HydrophobicContact CG-CD1 3.8Å; M13-I67 HydrophobicContact SD-CD1 3.55Å; M13-I67 VanDerWaalsContact SD-CD1 3.55Å; M13-I67 HydrophobicContact SD-CG1 4.46Å; L16-I67 HydrophobicContact CD2-CG2 3.65Å; A58-I67 HydrophobicContact CB-CG2 3.9Å; K59-I67 WeakPolarHBondContact O-CA 3.29Å; V60-I67 HydrophobicContact CG1-CG1 4.22Å; V60-I67 HydrophobicContact CG2-CG1 4.14Å; V60-I67 HydrophobicContact CG2-CG2 3.98Å |
| 68 | T | 93.8 | Very high | 88.1 | Confident | 15 Ų | 15 | 67.8 Ų | 67.8 | 9% | 0.092 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 121.8 | -178.9 | -52.9 | 0 | 0 | 0 | 0 | 110.5 | Y6 A58 K59 H61 Y70 | Y6-T68 HydrophobicContact CD2-CG2 3.73Å; Y6-T68 HydrophobicContact CE2-CG2 3.74Å; A58-T68 CarbonylContact C-O 3.53Å; A58-T68 WeakPolarHBondContact CA-O 3.23Å; K59-T68 PolarHBondContact N-O 2.87Å; K59-T68 PolarHBondContact O-N 3.29Å; H61-T68 PolarHBondContact NE2-OG1 2.96Å; T68-Y70 HydrophobicContact CG2-CD2 4.37Å; T68-Y70 HydrophobicContact CG2-CE1 4.15Å; T68-Y70 HydrophobicContact CG2-CE2 3.57Å; T68-Y70 VanDerWaalsContact CG2-CZ 3.45Å; T68-Y70 WeakPolarHBondContact CG2-OH 3.38Å |
| 69 | L | 94.8 | Very high | 86.5 | Confident | 0 Ų | 0 | 75.9 Ų | 75.9 | 0% | 0 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 133.3 | 179.6 | -173.2 | 67.6 | 0 | 0 | 0 | 111.5 | V7 R8 F10 L16 Y19 I20 F56 A58 | V7-L69 HydrophobicContact CB-CD2 4.41Å; V7-L69 HydrophobicContact CB-CG 4.42Å; V7-L69 HydrophobicContact CG1-CD2 4.41Å; V7-L69 PolarHBondContact N-O 2.9Å; R8-L69 WeakPolarHBondContact O-CB 3.41Å; R8-L69 PolarHBondContact O-N 3.5Å; F10-L69 HydrophobicContact CD2-CB 4.41Å; F10-L69 HydrophobicContact CE2-CB 3.86Å; F10-L69 HydrophobicContact CE2-CD2 3.89Å; F10-L69 HydrophobicContact CE2-CG 4.49Å; F10-L69 HydrophobicContact CZ-CD2 4.39Å; L16-L69 HydrophobicContact CD1-CD1 3.99Å; L16-L69 HydrophobicContact CD1-CD2 4.17Å; L16-L69 HydrophobicContact CD1-CG 4.46Å; Y19-L69 HydrophobicContact CD1-CD2 3.65Å; Y19-L69 HydrophobicContact CE1-CD2 3.47Å; Y19-L69 VanDerWaalsContact CE1-CD2 3.47Å; I20-L69 HydrophobicContact CD1-CD1 4.41Å; F56-L69 HydrophobicContact CB-CD1 3.95Å; F56-L69 HydrophobicContact CD1-CD1 4.1Å; F56-L69 HydrophobicContact CD1-CD2 3.94Å; F56-L69 HydrophobicContact CD1-CG 4.03Å; F56-L69 HydrophobicContact CE1-CD2 4.39Å; F56-L69 HydrophobicContact CG-CD1 4.49Å; A58-L69 HydrophobicContact CB-CD1 4.05Å |
| 70 | Y | 94.8 | Very high | 84.6 | Confident | 54 Ų | 54 | 83.7 Ų | 83.7 | 21% | 0.212 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 147.3 | 174.8 | -53.5 | -92.8 | 0 | 0 | 0 | 111.1 | M1 V5 F56 A57 K59 T68 | M1-Y70 HydrophobicContact CE-CD2 3.71Å; M1-Y70 HydrophobicContact CE-CE2 3.47Å; M1-Y70 VanDerWaalsContact CE-CE2 3.47Å; M1-Y70 HydrophobicContact CE-CG 4.45Å; M1-Y70 HydrophobicContact SD-CD2 4.14Å; M1-Y70 HydrophobicContact SD-CE2 4.47Å; V5-Y70 CarbonylContact O-C 3.55Å; V5-Y70 VanDerWaalsContact O-CA 3.25Å; V5-Y70 WeakPolarHBondContact O-CA 3.29Å; F56-Y70 CarbonylContact C-O 3.56Å; F56-Y70 WeakPolarHBondContact CA-O 3.44Å; A57-Y70 PolarHBondContact N-O 3.39Å; A57-Y70 WeakPolarHBondContact O-CD2 3.38Å; A57-Y70 PolarHBondContact O-N 3.33Å; K59-Y70 HydrophobicContact CB-CE2 4.34Å; T68-Y70 HydrophobicContact CG2-CD2 4.37Å; T68-Y70 HydrophobicContact CG2-CE1 4.15Å; T68-Y70 HydrophobicContact CG2-CE2 3.57Å; T68-Y70 VanDerWaalsContact CG2-CZ 3.45Å; T68-Y70 WeakPolarHBondContact CG2-OH 3.38Å |
| 71 | R | 93.9 | Very high | 82.8 | Confident | 94 Ų | 94 | 85.4 Ų | 85.4 | 36% | 0.355 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 143.2 | 178.7 | -175.4 | -175 | 95.3 | 178.6 | 9.6 | 110.8 | Y4 V5 V7 Q55 F56 G73 E74 | Y4-R71 CarbonylContact C-O 3.52Å; Y4-R71 WeakPolarHBondContact CA-O 3.25Å; V5-R71 PolarHBondContact N-O 2.98Å; V5-R71 PolarHBondContact O-N 2.84Å; V7-R71 HydrophobicContact CG2-CB 3.48Å; V7-R71 VanDerWaalsContact CG2-CB 3.48Å; Q55-R71 CarbonylContact O-C 3.49Å; Q55-R71 WeakPolarHBondContact O-CA 3.37Å; F56-R71 HydrophobicContact CD1-CB 3.97Å; F56-R71 HydrophobicContact CD1-CG 4.23Å; F56-R71 HydrophobicContact CE1-CB 3.77Å; F56-R71 HydrophobicContact CE1-CG 3.74Å; F56-R71 HydrophobicContact CE2-CG 4.43Å; F56-R71 HydrophobicContact CZ-CB 4.39Å; F56-R71 HydrophobicContact CZ-CG 3.84Å; R71-G73 PolarHBondContact NE-O 3.44Å; R71-G73 VanDerWaalsContact NE-O 3.15Å; R71-E74 IonicContact CZ-OE1 2.71Å; R71-E74 IonicContact NH2-OE1 2.79Å; R71-E74 PolarHBondContact NH2-OE1 3.49Å |
| 72 | K | 93.1 | Very high | 80.8 | Confident | 84 Ų | 84 | 92.6 Ų | 92.6 | 37% | 0.365 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 125 | 168.6 | 179.6 | 166.1 | -174.2 | 166.1 | 0 | 109.4 | E2 G3 Y4 I54 Q55 | E2-K72 PolarHBondContact O-NZ 3.24Å; E2-K72 VanDerWaalsContact O-NZ 3.11Å; G3-K72 WeakPolarHBondContact O-CG 3.49Å; Y4-K72 HydrophobicContact CD1-CB 3.78Å; Y4-K72 HydrophobicContact CD2-CB 4.34Å; Y4-K72 HydrophobicContact CD2-CD 4.1Å; Y4-K72 HydrophobicContact CE1-CB 3.73Å; Y4-K72 HydrophobicContact CE2-CB 4.32Å; Y4-K72 HydrophobicContact CE2-CD 3.88Å; Y4-K72 HydrophobicContact CG-CB 4.1Å; I54-K72 WeakPolarHBondContact CA-O 3.46Å; Q55-K72 HydrophobicContact CB-CB 4.41Å; Q55-K72 PolarHBondContact N-O 3.44Å; Q55-K72 PolarHBondContact O-N 3.48Å |
| 73 | G | 89.9 | Confident | 79.3 | Confident | 42 Ų | 42 | 93.2 Ų | 93.2 | 43% | 0.433 | 44% | 0.444 | S | S | . | . | S | Bend | trans | 74 | -170.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | R71 | R71-G73 PolarHBondContact NE-O 3.44Å; R71-G73 VanDerWaalsContact NE-O 3.15Å |
| 74 | E | 86.4 | Confident | 77.6 | Confident | 127 Ų | 127 | 87.5 Ų | 87.5 | 59% | 0.593 | 43% | 0.43 | S | S | * | . | trans | -135.8 | 161.3 | -179.2 | -60.3 | -165.3 | 151.4 | 0 | 0 | 110.3 | R71 K76 | R71-E74 IonicContact CZ-OE1 2.71Å; R71-E74 IonicContact NH2-OE1 2.79Å; R71-E74 PolarHBondContact NH2-OE1 3.49Å; E74-K76 PolarHBondContact O-N 3.3Å | ||
| 75 | H | 87.1 | Confident | 76.2 | Confident | 36 Ų | 36 | 91.3 Ų | 91.3 | 17% | 0.167 | 44% | 0.435 | C | S | . | . | trans | -67.7 | 123.2 | 173.4 | -76.9 | -75.5 | 0 | 0 | 0 | 108.6 | V23 C52 I54 H77 | V23-H75 PolarHBondContact O-NE2 2.86Å; C52-H75 PolarHBondContact SG-ND1 2.6Å; I54-H75 VanDerWaalsContact CD1-CD2 3.48Å; I54-H75 WeakPolarHBondContact CD1-CD2 3.42Å; H75-H77 AromaticContact ND1-CE1 3.63Å; H75-H77 AromaticContact ND1-NE2 3.51Å; H75-H77 PolarHBondContact O-N 3.23Å | ||
| 76 | K | 84.2 | Confident | 74.9 | Confident | 154 Ų | 154 | 87.9 Ų | 87.9 | 67% | 0.67 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -92.1 | 28.1 | 174.1 | -64.8 | -163.7 | -178.8 | -175.8 | 0 | 112.8 | E51 E74 | E51-K76 HydrophobicContact CB-CD 4.49Å; E51-K76 WeakPolarHBondContact O-CD 3.45Å; E74-K76 PolarHBondContact O-N 3.3Å |
| 77 | H | 82.2 | Confident | 73.5 | Confident | 22 Ų | 22 | 88 Ų | 88 | 10% | 0.102 | 42% | 0.416 | C | S | . | . | S | Bend | trans | -151 | 156.7 | 176 | 57.3 | 85 | 0 | 0 | 0 | 108.3 | C43 E45 F49 C52 H75 R79 | C43-H77 PolarHBondContact SG-NE2 3.21Å; E45-H77 IonicContact OE2-CE1 3.74Å; E45-H77 IonicContact OE2-ND1 3.8Å; F49-H77 HydrophobicContact CB-CB 4.37Å; F49-H77 HydrophobicContact CD1-CB 3.82Å; F49-H77 HydrophobicContact CD2-CB 3.56Å; F49-H77 AromaticContact CD2-CD2 3.35Å; F49-H77 WeakPolarHBondContact CD2-CD2 3.45Å; F49-H77 AromaticContact CD2-CE1 3.91Å; F49-H77 AromaticContact CD2-CG 3.22Å; F49-H77 AromaticContact CD2-ND1 3.6Å; F49-H77 AromaticContact CD2-NE2 3.78Å; F49-H77 HydrophobicContact CE1-CB 3.84Å; F49-H77 HydrophobicContact CE2-CB 3.52Å; F49-H77 AromaticContact CE2-CG 3.48Å; F49-H77 VanDerWaalsContact CE2-CG 3.48Å; F49-H77 AromaticContact CE2-ND1 3.63Å; F49-H77 HydrophobicContact CG-CB 3.66Å; F49-H77 AromaticContact CG-CD2 3.56Å; F49-H77 AromaticContact CG-CG 3.66Å; F49-H77 HydrophobicContact CZ-CB 3.67Å; C52-H77 PolarHBondContact SG-CD2 3.02Å; C52-H77 PolarHBondContact SG-NE2 2.89Å; H75-H77 AromaticContact ND1-CE1 3.63Å; H75-H77 AromaticContact ND1-NE2 3.51Å; H75-H77 PolarHBondContact O-N 3.23Å; H77-R79 PolarHBondContact O-N 2.81Å |
| 78 | D | 69.3 | Low | 72.3 | Confident | 135 Ų | 135 | 91.3 Ų | 91.3 | 72% | 0.722 | 44% | 0.44 | S | S | * | . | trans | -57.4 | 135.5 | 172.4 | -85.9 | -33.3 | 0 | 0 | 0 | 110.1 | R80 | D78-R80 PolarHBondContact O-N 2.8Š| ||
| 79 | R | 58.8 | Low | 71.4 | Confident | 171 Ų | 171 | 93.6 Ų | 93.6 | 65% | 0.645 | 46% | 0.455 | S | S | * | . | S | Bend | trans | -53.8 | -14.3 | 174.8 | -82.8 | -178.8 | 168.3 | 172.1 | -3.2 | 112.9 | H77 | H77-R79 PolarHBondContact O-N 2.81Š|
| 80 | R | 54.8 | Low | 70.8 | Confident | 220 Ų | 220 | 93.6 Ų | 93.6 | 83% | 0.83 | 46% | 0.455 | S | S | * | . | trans | -133 | 92.3 | 176.5 | -70.7 | 177.6 | 170.5 | 177.3 | -2.6 | 108.9 | D78 K82 | D78-R80 PolarHBondContact O-N 2.8Å; R80-K82 PolarHBondContact O-N 3.01Å; R80-K82 VanDerWaalsContact O-N 3.07Å | ||
| 81 | L | 52.7 | Low | 70.2 | Confident | 64 Ų | 64 | 93.9 Ų | 93.9 | 34% | 0.335 | 46% | 0.456 | S | S | . | . | trans | -50.3 | 121 | 147.4 | -99.4 | 162 | 0 | 0 | 0 | 107 | K48 F49 T83 | K48-L81 HydrophobicContact CB-CD1 4.2Å; K48-L81 HydrophobicContact CD-CD1 3.41Å; K48-L81 VanDerWaalsContact CD-CD1 3.41Å; K48-L81 HydrophobicContact CG-CD1 4.46Å; F49-L81 HydrophobicContact CD2-CD1 4.12Å; F49-L81 HydrophobicContact CE2-CD1 3.12Å; F49-L81 HydrophobicContact CE2-CD2 4.33Å; F49-L81 HydrophobicContact CE2-CG 3.48Å; F49-L81 VanDerWaalsContact CE2-CG 3.48Å; F49-L81 HydrophobicContact CZ-CD1 3.38Å; F49-L81 HydrophobicContact CZ-CD2 3.75Å; F49-L81 HydrophobicContact CZ-CG 3.37Å; L81-T83 VanDerWaalsContact C-N 3.27Å; L81-T83 PolarHBondContact O-N 2.59Å | ||
| 82 | K | 48.2 | Very low | 69.7 | Low | 205 Ų | 205 | 95.2 Ų | 95.2 | 89% | 0.891 | 47% | 0.466 | S | S | * | . | trans | -47.2 | 97.7 | 168.7 | -70.5 | 176.9 | -178.3 | 176.7 | 0 | 107 | R80 S84 | R80-K82 PolarHBondContact O-N 3.01Å; R80-K82 VanDerWaalsContact O-N 3.07Å; K82-S84 PolarHBondContact O-N 2.81Å | ||
| 83 | T | 49.9 | Very low | 69.3 | Low | 90 Ų | 90 | 95.1 Ų | 95.1 | 55% | 0.552 | 46% | 0.463 | S | S | * | . | trans | -55.6 | 143.8 | 171.1 | 50.1 | 0 | 0 | 0 | 0 | 106.1 | L81 R85 | L81-T83 VanDerWaalsContact C-N 3.27Å; L81-T83 PolarHBondContact O-N 2.59Å; T83-R85 PolarHBondContact O-N 3.4Å; T83-R85 WeakPolarHBondContact OG1-CB 3.33Å; T83-R85 PolarHBondContact OG1-O 3.43Å | ||
| 84 | S | 49.8 | Very low | 69.2 | Low | 90 Ų | 90 | 93.1 Ų | 93.1 | 63% | 0.629 | 44% | 0.442 | S | S | * | . | S | Bend | trans | -55.2 | -13.4 | 168.4 | 59.5 | 0 | 0 | 0 | 0 | 112.4 | K82 K123 | K82-S84 PolarHBondContact O-N 2.81Å; S84-K123 VanDerWaalsContact O-CD 3.25Å; S84-K123 WeakPolarHBondContact O-CD 3.49Å; S84-K123 WeakPolarHBondContact O-CE 3.37Å |
| 85 | R | 53.2 | Low | 69.2 | Low | 160 Ų | 160 | 93.1 Ų | 93.1 | 60% | 0.604 | 44% | 0.441 | S | S | * | . | S | Bend | trans | -66.2 | 125.8 | 170.6 | -59.2 | -177.4 | 170.7 | -173 | -1.8 | 110.2 | T83 | T83-R85 PolarHBondContact O-N 3.4Å; T83-R85 WeakPolarHBondContact OG1-CB 3.33Å; T83-R85 PolarHBondContact OG1-O 3.43Å |
| 86 | P | 53.8 | Low | 69.2 | Low | 12 Ų | 12 | 95.7 Ų | 95.7 | 8% | 0.078 | 45% | 0.454 | C | S | . | . | P | Polyproline II helix | trans | -55.1 | 155.6 | 176.2 | 14.2 | -24.4 | 0 | 0 | 0 | 112.2 | V90 R91 P119 L127 | P86-V90 HydrophobicContact CB-CB 4.32Å; P86-V90 HydrophobicContact CB-CG1 4.24Å; P86-R91 HydrophobicContact CB-CG 4.46Å; P86-R91 HydrophobicContact CG-CG 3.97Å; P86-P119 HydrophobicContact CB-CB 3.93Å; P86-P119 HydrophobicContact CB-CG 4.02Å; P86-L127 HydrophobicContact CG-CB 4.47Å; P86-L127 HydrophobicContact CG-CD1 3.95Å; P86-L127 HydrophobicContact CG-CD2 3.77Å; P86-L127 HydrophobicContact CG-CG 4.28Å |
| 87 | P | 59.2 | Low | 69.4 | Low | 69 Ų | 69 | 89.3 Ų | 89.3 | 45% | 0.448 | 43% | 0.426 | S | S | . | . | P | Polyproline II helix | trans | -48.4 | 142.4 | 178.6 | -22.1 | 29.6 | 0 | 0 | 0 | 111.6 | P89 V90 R91 | P87-P89 VanDerWaalsContact C-N 3.28Å; P87-P89 HydrophobicContact CB-CG 4.03Å; P87-V90 HydrophobicContact CB-CG2 4.3Å; P87-V90 HydrophobicContact CG-CG2 4.23Å; P87-V90 WeakPolarHBondContact O-CB 3.32Å; P87-V90 PolarHBondContact O-N 3.03Å; P87-R91 PolarHBondContact O-N 2.93Å |
| 88 | S | 68.2 | Low | 69.7 | Low | 73 Ų | 73 | 88.7 Ų | 88.7 | 51% | 0.51 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -43.9 | -46.9 | 175.6 | -150.6 | 0 | 0 | 0 | 0 | 113.8 | V90 R91 E92 | S88-V90 VanDerWaalsContact C-N 3.31Å; S88-V90 PolarHBondContact O-N 3.5Å; S88-R91 PolarHBondContact O-N 3Å; S88-E92 PolarHBondContact O-N 3.33Å; S88-E92 PolarHBondContact OG-OE1 3.09Å |
| 89 | P | 76.2 | Confident | 70.4 | Confident | 63 Ų | 63 | 85.4 Ų | 85.4 | 41% | 0.409 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -62.3 | -37.3 | -178.6 | 21 | -33 | 0 | 0 | 0 | 112.8 | P87 R93 | P87-P89 VanDerWaalsContact C-N 3.28Å; P87-P89 HydrophobicContact CB-CG 4.03Å; P89-R93 WeakPolarHBondContact O-CB 3.23Å; P89-R93 VanDerWaalsContact O-CG 3.25Å; P89-R93 WeakPolarHBondContact O-CG 3.36Å; P89-R93 PolarHBondContact O-N 2.83Å |
| 90 | V | 80.9 | Confident | 71.8 | Confident | 0 Ų | 0 | 83 Ų | 83 | 0% | 0 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -63.7 | -43.5 | 175.3 | 177.9 | 0 | 0 | 0 | 0 | 110.2 | P86 P87 S88 V94 L111 V116 P119 L127 | P86-V90 HydrophobicContact CB-CB 4.32Å; P86-V90 HydrophobicContact CB-CG1 4.24Å; P87-V90 HydrophobicContact CB-CG2 4.3Å; P87-V90 HydrophobicContact CG-CG2 4.23Å; P87-V90 WeakPolarHBondContact O-CB 3.32Å; P87-V90 PolarHBondContact O-N 3.03Å; S88-V90 VanDerWaalsContact C-N 3.31Å; S88-V90 PolarHBondContact O-N 3.5Å; V90-V94 HydrophobicContact CG1-CG2 3.97Å; V90-V94 VanDerWaalsContact O-CB 3.23Å; V90-V94 WeakPolarHBondContact O-CB 3.44Å; V90-V94 WeakPolarHBondContact O-CG2 3.48Å; V90-V94 PolarHBondContact O-N 3.34Å; V90-L111 HydrophobicContact CG1-CD1 4.29Å; V90-V116 HydrophobicContact CG2-CG1 3.4Å; V90-V116 VanDerWaalsContact CG2-CG1 3.4Å; V90-P119 HydrophobicContact CG1-CG 4.17Å; V90-L127 HydrophobicContact CG1-CD2 4.28Å |
| 91 | R | 82.7 | Confident | 73.2 | Confident | 60 Ų | 60 | 75.2 Ų | 75.2 | 23% | 0.226 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -64.4 | -44.6 | -178.3 | -69.8 | -172.6 | 151.5 | -143.8 | -11.3 | 112.4 | P86 P87 S88 K95 L127 | P86-R91 HydrophobicContact CB-CG 4.46Å; P86-R91 HydrophobicContact CG-CG 3.97Å; P87-R91 PolarHBondContact O-N 2.93Å; S88-R91 PolarHBondContact O-N 3Å; R91-K95 VanDerWaalsContact O-CB 3.32Å; R91-K95 WeakPolarHBondContact O-CB 3.4Å; R91-K95 PolarHBondContact O-N 3.49Å; R91-L127 HydrophobicContact CG-CD1 3.98Å; R91-L127 HydrophobicContact CG-CD2 4.39Å |
| 92 | E | 83.1 | Confident | 74.9 | Confident | 122 Ų | 122 | 74.4 Ų | 74.4 | 57% | 0.57 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -64.9 | -47 | 178.9 | -73.4 | 163.3 | -145.2 | 0 | 0 | 111.1 | S88 K95 M96 | S88-E92 PolarHBondContact O-N 3.33Å; S88-E92 PolarHBondContact OG-OE1 3.09Å; E92-K95 WeakPolarHBondContact O-CB 3.38Å; E92-K95 PolarHBondContact O-N 3.49Å; E92-M96 WeakPolarHBondContact O-CB 3.35Å; E92-M96 PolarHBondContact O-N 3.44Å |
| 93 | R | 85.8 | Confident | 76.8 | Confident | 82 Ų | 82 | 67.9 Ų | 67.9 | 31% | 0.309 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -64.4 | -43.8 | 176.6 | -69.4 | -179.7 | -169.8 | -164.7 | 11.4 | 112.2 | P89 K95 M96 Y97 L111 Q114 | P89-R93 WeakPolarHBondContact O-CB 3.23Å; P89-R93 VanDerWaalsContact O-CG 3.25Å; P89-R93 WeakPolarHBondContact O-CG 3.36Å; P89-R93 PolarHBondContact O-N 2.83Å; R93-K95 VanDerWaalsContact C-N 3.34Å; R93-K95 PolarHBondContact O-N 2.93Å; R93-M96 WeakPolarHBondContact O-CB 3.48Å; R93-M96 PolarHBondContact O-N 2.86Å; R93-Y97 HydrophobicContact CB-CD2 4.26Å; R93-Y97 HydrophobicContact CB-CE2 3.97Å; R93-Y97 WeakPolarHBondContact O-CB 3.44Å; R93-Y97 WeakPolarHBondContact O-CD2 3.5Å; R93-Y97 PolarHBondContact O-N 2.96Å; R93-L111 HydrophobicContact CB-CD2 3.74Å; R93-Q114 VanDerWaalsContact NH1-CB 3.34Å |
| 94 | V | 87.3 | Confident | 78.6 | Confident | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -60.5 | -43.6 | 175.1 | 169.2 | 0 | 0 | 0 | 0 | 111.1 | V90 M96 L98 V107 L111 F124 L127 I128 Y131 | V90-V94 HydrophobicContact CG1-CG2 3.97Å; V90-V94 VanDerWaalsContact O-CB 3.23Å; V90-V94 WeakPolarHBondContact O-CB 3.44Å; V90-V94 WeakPolarHBondContact O-CG2 3.48Å; V90-V94 PolarHBondContact O-N 3.34Å; V94-M96 VanDerWaalsContact C-N 3.34Å; V94-M96 PolarHBondContact O-N 3.1Å; V94-L98 HydrophobicContact CG1-CD1 3.8Å; V94-L98 HydrophobicContact CG1-CG 4.27Å; V94-L98 VanDerWaalsContact O-CB 3.28Å; V94-L98 WeakPolarHBondContact O-CB 3.38Å; V94-L98 VanDerWaalsContact O-CG 3.23Å; V94-L98 WeakPolarHBondContact O-CG 3.45Å; V94-L98 PolarHBondContact O-N 3.48Å; V94-V107 HydrophobicContact CB-CG1 4.37Å; V94-V107 HydrophobicContact CG1-CG1 4.34Å; V94-V107 HydrophobicContact CG2-CG1 3.86Å; V94-L111 HydrophobicContact CG2-CD1 3.67Å; V94-F124 HydrophobicContact CG2-CE2 4.06Å; V94-L127 HydrophobicContact CB-CD2 3.9Å; V94-L127 HydrophobicContact CG1-CD2 3.86Å; V94-L127 HydrophobicContact CG1-CG 4.16Å; V94-L127 HydrophobicContact CG2-CD2 3.8Å; V94-I128 HydrophobicContact CG1-CD1 3.73Å; V94-Y131 HydrophobicContact CG1-CD2 4.11Å; V94-Y131 HydrophobicContact CG1-CE2 4.45Å |
| 95 | K | 86.3 | Confident | 80.5 | Confident | 128 Ų | 128 | 69.7 Ų | 69.7 | 56% | 0.557 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -60.2 | -45.8 | 175.5 | -175.7 | -170.6 | 175.2 | -165.4 | 0 | 110.8 | R91 E92 R93 S99 Y131 | R91-K95 VanDerWaalsContact O-CB 3.32Å; R91-K95 WeakPolarHBondContact O-CB 3.4Å; R91-K95 PolarHBondContact O-N 3.49Å; E92-K95 WeakPolarHBondContact O-CB 3.38Å; E92-K95 PolarHBondContact O-N 3.49Å; R93-K95 VanDerWaalsContact C-N 3.34Å; R93-K95 PolarHBondContact O-N 2.93Å; K95-S99 VanDerWaalsContact O-CB 3.29Å; K95-S99 WeakPolarHBondContact O-CB 3.27Å; K95-S99 PolarHBondContact O-N 3.1Å; K95-S99 PolarHBondContact O-OG 3.49Å; K95-Y131 HydrophobicContact CB-CD1 4.35Å; K95-Y131 HydrophobicContact CB-CE1 3.93Å; K95-Y131 HydrophobicContact CB-CE2 4.39Å; K95-Y131 HydrophobicContact CD-CE1 4.12Å; K95-Y131 HydrophobicContact CG-CD1 4.17Å; K95-Y131 HydrophobicContact CG-CE1 3.87Å |
| 96 | M | 86.5 | Confident | 82.3 | Confident | 89 Ų | 89 | 66.7 Ų | 66.7 | 44% | 0.438 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62.6 | -50.4 | 178.3 | -176.8 | -174.6 | 71.8 | 0 | 0 | 111.7 | E92 R93 V94 L98 S99 L100 | E92-M96 WeakPolarHBondContact O-CB 3.35Å; E92-M96 PolarHBondContact O-N 3.44Å; R93-M96 WeakPolarHBondContact O-CB 3.48Å; R93-M96 PolarHBondContact O-N 2.86Å; V94-M96 VanDerWaalsContact C-N 3.34Å; V94-M96 PolarHBondContact O-N 3.1Å; M96-L98 PolarHBondContact O-N 3.48Å; M96-S99 WeakPolarHBondContact CA-OG 3.38Å; M96-S99 WeakPolarHBondContact O-CA 3.47Å; M96-S99 WeakPolarHBondContact O-CB 3.11Å; M96-S99 PolarHBondContact O-N 3.15Å; M96-S99 PolarHBondContact O-OG 2.75Å; M96-L100 HydrophobicContact CG-CD1 4.49Å; M96-L100 WeakPolarHBondContact O-CG 3.37Å; M96-L100 PolarHBondContact O-N 3.22Å |
| 97 | Y | 89.3 | Confident | 83.9 | Confident | 21 Ų | 21 | 66.1 Ų | 66.1 | 8% | 0.082 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -64.9 | -42.2 | 179.6 | -68.2 | -49.2 | 0 | 0 | 0 | 113 | R93 S99 L100 G101 L102 V107 A110 L111 Q114 | R93-Y97 HydrophobicContact CB-CD2 4.26Å; R93-Y97 HydrophobicContact CB-CE2 3.97Å; R93-Y97 WeakPolarHBondContact O-CB 3.44Å; R93-Y97 WeakPolarHBondContact O-CD2 3.5Å; R93-Y97 PolarHBondContact O-N 2.96Å; Y97-S99 PolarHBondContact O-N 2.9Å; Y97-L100 PolarHBondContact O-N 2.99Å; Y97-G101 PolarHBondContact O-N 3.41Å; Y97-L102 HydrophobicContact CD1-CD2 3.97Å; Y97-L102 HydrophobicContact CG-CD2 4.3Å; Y97-L102 WeakPolarHBondContact O-CB 3.15Å; Y97-L102 WeakPolarHBondContact O-CD1 3.4Å; Y97-L102 PolarHBondContact O-N 3.35Å; Y97-L102 VanDerWaalsContact O-N 3.12Å; Y97-V107 HydrophobicContact CD2-CG1 4.23Å; Y97-A110 HydrophobicContact CD2-CB 4.3Å; Y97-A110 HydrophobicContact CE1-CB 4.08Å; Y97-A110 HydrophobicContact CE2-CB 3.84Å; Y97-L111 HydrophobicContact CE2-CD2 4.09Å; Y97-L111 HydrophobicContact CE2-CG 4.33Å; Y97-Q114 PolarHBondContact OH-NE2 3.2Å; Y97-Q114 PolarHBondContact OH-OE1 3.18Å |
| 98 | L | 88.2 | Confident | 85.3 | Confident | 9 Ų | 9 | 67.1 Ų | 67.1 | 5% | 0.047 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -59.5 | -42.1 | 170.6 | -71.5 | 175.5 | 0 | 0 | 0 | 109.3 | V94 M96 L100 G101 V107 I128 Y131 R135 | V94-L98 HydrophobicContact CG1-CD1 3.8Å; V94-L98 HydrophobicContact CG1-CG 4.27Å; V94-L98 VanDerWaalsContact O-CB 3.28Å; V94-L98 WeakPolarHBondContact O-CB 3.38Å; V94-L98 VanDerWaalsContact O-CG 3.23Å; V94-L98 WeakPolarHBondContact O-CG 3.45Å; V94-L98 PolarHBondContact O-N 3.48Å; M96-L98 PolarHBondContact O-N 3.48Å; L98-L100 PolarHBondContact O-N 2.94Å; L98-G101 WeakPolarHBondContact O-CA 3.14Å; L98-G101 PolarHBondContact O-N 2.74Å; L98-V107 HydrophobicContact CD2-CG2 4.04Å; L98-V107 HydrophobicContact CG-CG2 4.31Å; L98-I128 HydrophobicContact CD1-CD1 4.01Å; L98-I128 HydrophobicContact CD2-CD1 4.15Å; L98-I128 HydrophobicContact CG-CD1 4.3Å; L98-Y131 HydrophobicContact CD1-CD2 4.38Å; L98-Y131 HydrophobicContact CD1-CG 4.29Å; L98-R135 VanDerWaalsContact O-CZ 3.27Å; L98-R135 PolarHBondContact O-NH1 3.44Å |
| 99 | S | 84.4 | Confident | 86.3 | Confident | 65 Ų | 65 | 72.3 Ų | 72.3 | 46% | 0.455 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -57.7 | -35.1 | 179.4 | 76 | 0 | 0 | 0 | 0 | 113.7 | K95 M96 Y97 G101 R135 | K95-S99 VanDerWaalsContact O-CB 3.29Å; K95-S99 WeakPolarHBondContact O-CB 3.27Å; K95-S99 PolarHBondContact O-N 3.1Å; K95-S99 PolarHBondContact O-OG 3.49Å; M96-S99 WeakPolarHBondContact CA-OG 3.38Å; M96-S99 WeakPolarHBondContact O-CA 3.47Å; M96-S99 WeakPolarHBondContact O-CB 3.11Å; M96-S99 PolarHBondContact O-N 3.15Å; M96-S99 PolarHBondContact O-OG 2.75Å; Y97-S99 PolarHBondContact O-N 2.9Å; S99-G101 PolarHBondContact O-N 2.73Å; S99-R135 VanDerWaalsContact C-NH2 3.31Å; S99-R135 PolarHBondContact O-NH2 2.89Å |
| 100 | L | 87 | Confident | 86.8 | Confident | 121 Ų | 121 | 70.3 Ų | 70.3 | 63% | 0.634 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | 1.4 | 174.7 | -64.6 | 170.6 | 0 | 0 | 0 | 114.1 | M96 Y97 L98 L102 | M96-L100 HydrophobicContact CG-CD1 4.49Å; M96-L100 WeakPolarHBondContact O-CG 3.37Å; M96-L100 PolarHBondContact O-N 3.22Å; Y97-L100 PolarHBondContact O-N 2.99Å; L98-L100 PolarHBondContact O-N 2.94Å; L100-L102 HydrophobicContact CB-CD1 3.52Å; L100-L102 HydrophobicContact CD1-CD1 4.48Å |
| 101 | G | 85.3 | Confident | 87.2 | Confident | 57 Ų | 57 | 70.3 Ų | 70.3 | 59% | 0.588 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.9 | 7.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y97 L98 S99 | Y97-G101 PolarHBondContact O-N 3.41Å; L98-G101 WeakPolarHBondContact O-CA 3.14Å; L98-G101 PolarHBondContact O-N 2.74Å; S99-G101 PolarHBondContact O-N 2.73Å |
| 102 | L | 87.3 | Confident | 87.4 | Confident | 47 Ų | 47 | 71.6 Ų | 71.6 | 25% | 0.246 | 36% | 0.357 | C | S | . | . | trans | -65.5 | 140.3 | -177.9 | -78.4 | 75 | 0 | 0 | 0 | 111.6 | Y97 L100 Q106 V107 | Y97-L102 HydrophobicContact CD1-CD2 3.97Å; Y97-L102 HydrophobicContact CG-CD2 4.3Å; Y97-L102 WeakPolarHBondContact O-CB 3.15Å; Y97-L102 WeakPolarHBondContact O-CD1 3.4Å; Y97-L102 PolarHBondContact O-N 3.35Å; Y97-L102 VanDerWaalsContact O-N 3.12Å; L100-L102 HydrophobicContact CB-CD1 3.52Å; L100-L102 HydrophobicContact CD1-CD1 4.48Å; L102-Q106 HydrophobicContact CB-CB 4.09Å; L102-Q106 HydrophobicContact CD2-CB 4.06Å; L102-Q106 HydrophobicContact CG-CB 4.24Å; L102-V107 HydrophobicContact CB-CG2 3.89Å | ||
| 103 | T | 88.6 | Confident | 87.6 | Confident | 68 Ų | 68 | 71.7 Ų | 71.7 | 42% | 0.417 | 37% | 0.366 | S | S | . | . | trans | -68.7 | 155.2 | 172.4 | 65 | 0 | 0 | 0 | 0 | 110.8 | K105 Q106 V107 | T103-K105 PolarHBondContact O-N 2.82Å; T103-K105 VanDerWaalsContact O-N 3.07Å; T103-Q106 WeakPolarHBondContact O-CB 3.19Å; T103-Q106 PolarHBondContact O-N 3.42Å; T103-Q106 VanDerWaalsContact OG1-CD 3.29Å; T103-Q106 VanDerWaalsContact OG1-CG 3.32Å; T103-Q106 WeakPolarHBondContact OG1-CG 3.27Å; T103-Q106 PolarHBondContact OG1-N 3.26Å; T103-Q106 PolarHBondContact OG1-OE1 3.44Å; T103-V107 WeakPolarHBondContact O-CG2 3.35Å; T103-V107 PolarHBondContact O-N 3.45Å | ||
| 104 | P | 87.7 | Confident | 87.4 | Confident | 44 Ų | 44 | 71 Ų | 71 | 29% | 0.286 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -55.7 | -31.3 | 179.4 | -26.5 | 35.8 | 0 | 0 | 0 | 114.1 | K108 I128 | P104-K108 PolarHBondContact O-N 3.44Å; P104-K108 VanDerWaalsContact O-N 3.11Å; P104-I128 HydrophobicContact CB-CG1 4.38Å; P104-I128 HydrophobicContact CB-CG2 4.04Å; P104-I128 HydrophobicContact CG-CG2 3.7Å |
| 105 | K | 89.6 | Confident | 87.1 | Confident | 173 Ų | 173 | 74.2 Ų | 74.2 | 75% | 0.752 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -68 | -44.6 | 175 | -68 | -176.9 | 179.8 | 178.8 | 0 | 111.3 | T103 K108 R109 | T103-K105 PolarHBondContact O-N 2.82Å; T103-K105 VanDerWaalsContact O-N 3.07Å; K105-K108 PolarHBondContact O-N 3.32Å; K105-R109 PolarHBondContact O-N 3.13Å; K105-R109 VanDerWaalsContact O-N 3.09Å |
| 106 | Q | 90 | Very high | 86.7 | Confident | 97 Ų | 97 | 69.2 Ų | 69.2 | 45% | 0.453 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -66.2 | -40 | 176.2 | -71.3 | 163.9 | -32.9 | 0 | 0 | 111.8 | L102 T103 K108 R109 A110 | L102-Q106 HydrophobicContact CB-CB 4.09Å; L102-Q106 HydrophobicContact CD2-CB 4.06Å; L102-Q106 HydrophobicContact CG-CB 4.24Å; T103-Q106 WeakPolarHBondContact O-CB 3.19Å; T103-Q106 PolarHBondContact O-N 3.42Å; T103-Q106 VanDerWaalsContact OG1-CD 3.29Å; T103-Q106 VanDerWaalsContact OG1-CG 3.32Å; T103-Q106 WeakPolarHBondContact OG1-CG 3.27Å; T103-Q106 PolarHBondContact OG1-N 3.26Å; T103-Q106 PolarHBondContact OG1-OE1 3.44Å; Q106-K108 VanDerWaalsContact C-N 3.3Å; Q106-K108 PolarHBondContact O-N 3.12Å; Q106-R109 PolarHBondContact O-N 2.83Å; Q106-A110 WeakPolarHBondContact O-CB 3.14Å; Q106-A110 PolarHBondContact O-N 3.11Å |
| 107 | V | 89.2 | Confident | 86.3 | Confident | 0 Ų | 0 | 71.8 Ų | 71.8 | 0% | 0 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -58.8 | -43.7 | 174.4 | 178.4 | 0 | 0 | 0 | 0 | 110.7 | V94 Y97 L98 L102 T103 A110 L111 F124 I128 | V94-V107 HydrophobicContact CB-CG1 4.37Å; V94-V107 HydrophobicContact CG1-CG1 4.34Å; V94-V107 HydrophobicContact CG2-CG1 3.86Å; Y97-V107 HydrophobicContact CD2-CG1 4.23Å; L98-V107 HydrophobicContact CD2-CG2 4.04Å; L98-V107 HydrophobicContact CG-CG2 4.31Å; L102-V107 HydrophobicContact CB-CG2 3.89Å; T103-V107 WeakPolarHBondContact O-CG2 3.35Å; T103-V107 PolarHBondContact O-N 3.45Å; V107-A110 PolarHBondContact O-N 2.9Å; V107-L111 HydrophobicContact CG1-CD1 4.12Å; V107-L111 VanDerWaalsContact O-CG 3.28Å; V107-L111 WeakPolarHBondContact O-CG 3.25Å; V107-L111 PolarHBondContact O-N 2.78Å; V107-L111 VanDerWaalsContact O-N 3.09Å; V107-F124 HydrophobicContact CB-CZ 4.26Å; V107-F124 HydrophobicContact CG1-CE2 4.25Å; V107-F124 HydrophobicContact CG1-CZ 3.93Å; V107-I128 HydrophobicContact CB-CD1 4.49Å; V107-I128 HydrophobicContact CG1-CD1 4.22Å |
| 108 | K | 88.7 | Confident | 85.7 | Confident | 91 Ų | 91 | 73.5 Ų | 73.5 | 40% | 0.396 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -61.2 | -50.7 | 177.4 | -169.8 | -174.7 | -177.4 | -101.9 | 0 | 111 | P104 K105 Q106 A110 L111 E112 L118 F124 | P104-K108 PolarHBondContact O-N 3.44Å; P104-K108 VanDerWaalsContact O-N 3.11Å; K105-K108 PolarHBondContact O-N 3.32Å; Q106-K108 VanDerWaalsContact C-N 3.3Å; Q106-K108 PolarHBondContact O-N 3.12Å; K108-A110 PolarHBondContact O-N 3.49Å; K108-L111 PolarHBondContact O-N 3.37Å; K108-E112 VanDerWaalsContact CE-OE1 3.29Å; K108-E112 WeakPolarHBondContact CE-OE1 3.3Å; K108-E112 IonicContact NZ-OE1 2.66Å; K108-E112 PolarHBondContact NZ-OE1 3.22Å; K108-E112 WeakPolarHBondContact O-CG 3.3Å; K108-E112 PolarHBondContact O-N 3.08Å; K108-L118 HydrophobicContact CG-CD1 3.92Å; K108-L118 HydrophobicContact CG-CD2 4.44Å; K108-F124 HydrophobicContact CB-CE1 4.02Å; K108-F124 HydrophobicContact CB-CZ 3.99Å |
| 109 | R | 88.4 | Confident | 85.2 | Confident | 181 Ų | 181 | 74 Ų | 74 | 68% | 0.683 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -58.2 | -45.9 | 177.9 | -72.9 | -176.4 | -179.2 | 178.8 | -0.6 | 111.8 | K105 Q106 L111 E112 T113 | K105-R109 PolarHBondContact O-N 3.13Å; K105-R109 VanDerWaalsContact O-N 3.09Å; Q106-R109 PolarHBondContact O-N 2.83Å; R109-L111 VanDerWaalsContact C-N 3.31Å; R109-L111 PolarHBondContact O-N 2.77Å; R109-E112 WeakPolarHBondContact O-CB 3.33Å; R109-E112 PolarHBondContact O-N 2.79Å; R109-E112 VanDerWaalsContact O-N 3.14Å; R109-T113 PolarHBondContact O-N 3.35Å; R109-T113 PolarHBondContact O-OG1 3.35Å |
| 110 | A | 87.4 | Confident | 85.1 | Confident | 22 Ų | 22 | 73.6 Ų | 73.6 | 18% | 0.182 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -61.1 | -38.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y97 Q106 V107 K108 Q114 | Y97-A110 HydrophobicContact CD2-CB 4.3Å; Y97-A110 HydrophobicContact CE1-CB 4.08Å; Y97-A110 HydrophobicContact CE2-CB 3.84Å; Q106-A110 WeakPolarHBondContact O-CB 3.14Å; Q106-A110 PolarHBondContact O-N 3.11Å; V107-A110 PolarHBondContact O-N 2.9Å; K108-A110 PolarHBondContact O-N 3.49Å; A110-Q114 WeakPolarHBondContact O-CG 3.44Å; A110-Q114 PolarHBondContact O-N 3.25Å |
| 111 | L | 88 | Confident | 84.9 | Confident | 0 Ų | 0 | 72.4 Ų | 72.4 | 0% | 0 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -68.5 | -39.4 | 175 | -69.9 | 168.6 | 0 | 0 | 0 | 112.5 | V90 R93 V94 Y97 V107 K108 R109 Q114 G115 V116 L118 F124 | V90-L111 HydrophobicContact CG1-CD1 4.29Å; R93-L111 HydrophobicContact CB-CD2 3.74Å; V94-L111 HydrophobicContact CG2-CD1 3.67Å; Y97-L111 HydrophobicContact CE2-CD2 4.09Å; Y97-L111 HydrophobicContact CE2-CG 4.33Å; V107-L111 HydrophobicContact CG1-CD1 4.12Å; V107-L111 VanDerWaalsContact O-CG 3.28Å; V107-L111 WeakPolarHBondContact O-CG 3.25Å; V107-L111 PolarHBondContact O-N 2.78Å; V107-L111 VanDerWaalsContact O-N 3.09Å; K108-L111 PolarHBondContact O-N 3.37Å; R109-L111 VanDerWaalsContact C-N 3.31Å; R109-L111 PolarHBondContact O-N 2.77Å; L111-Q114 PolarHBondContact O-N 3.46Å; L111-G115 PolarHBondContact O-N 3.41Å; L111-V116 HydrophobicContact CD2-CB 4.41Å; L111-V116 HydrophobicContact CD2-CG2 4.42Å; L111-V116 PolarHBondContact O-N 2.95Å; L111-V116 VanDerWaalsContact O-N 3.11Å; L111-L118 HydrophobicContact CB-CD2 3.73Å; L111-L118 HydrophobicContact CD1-CD2 3.84Å; L111-L118 HydrophobicContact CG-CD2 4.47Å; L111-F124 HydrophobicContact CD1-CE2 3.77Å; L111-F124 HydrophobicContact CD1-CZ 4.5Å |
| 112 | E | 86.9 | Confident | 84.9 | Confident | 87 Ų | 87 | 79.7 Ų | 79.7 | 41% | 0.407 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -62.2 | -46.5 | 175.2 | -70.6 | 167.9 | 168.4 | 0 | 0 | 110.9 | K108 R109 Q114 G115 L118 | K108-E112 VanDerWaalsContact CE-OE1 3.29Å; K108-E112 WeakPolarHBondContact CE-OE1 3.3Å; K108-E112 IonicContact NZ-OE1 2.66Å; K108-E112 PolarHBondContact NZ-OE1 3.22Å; K108-E112 WeakPolarHBondContact O-CG 3.3Å; K108-E112 PolarHBondContact O-N 3.08Å; R109-E112 WeakPolarHBondContact O-CB 3.33Å; R109-E112 PolarHBondContact O-N 2.79Å; R109-E112 VanDerWaalsContact O-N 3.14Å; E112-Q114 PolarHBondContact O-N 3.45Å; E112-G115 PolarHBondContact O-N 3.21Å; E112-L118 HydrophobicContact CG-CD1 3.43Å; E112-L118 VanDerWaalsContact CG-CD1 3.43Å; E112-L118 HydrophobicContact CG-CG 4.17Å; E112-L118 WeakPolarHBondContact OE1-CD1 3.45Å |
| 113 | T | 87.4 | Confident | 84.7 | Confident | 124 Ų | 124 | 81.6 Ų | 81.6 | 76% | 0.761 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -62 | -31.1 | 178.6 | -48.1 | 0 | 0 | 0 | 0 | 112.5 | R109 G115 | R109-T113 PolarHBondContact O-N 3.35Å; R109-T113 PolarHBondContact O-OG1 3.35Å; T113-G115 VanDerWaalsContact C-N 3.28Å; T113-G115 PolarHBondContact O-N 3.48Å |
| 114 | Q | 82.7 | Confident | 84.6 | Confident | 67 Ų | 67 | 79.3 Ų | 79.3 | 31% | 0.313 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | 8 | 178.4 | -68.4 | -171.3 | -19.1 | 0 | 0 | 114.3 | R93 Y97 A110 L111 E112 V116 | R93-Q114 VanDerWaalsContact NH1-CB 3.34Å; Y97-Q114 PolarHBondContact OH-NE2 3.2Å; Y97-Q114 PolarHBondContact OH-OE1 3.18Å; A110-Q114 WeakPolarHBondContact O-CG 3.44Å; A110-Q114 PolarHBondContact O-N 3.25Å; L111-Q114 PolarHBondContact O-N 3.46Å; E112-Q114 PolarHBondContact O-N 3.45Å; Q114-V116 VanDerWaalsContact C-N 3.26Å; Q114-V116 HydrophobicContact CB-CG2 4.15Å; Q114-V116 PolarHBondContact O-N 2.63Å |
| 115 | G | 80.2 | Confident | 84.5 | Confident | 68 Ų | 68 | 86.3 Ų | 86.3 | 70% | 0.701 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.4 | 26.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | L111 E112 T113 | L111-G115 PolarHBondContact O-N 3.41Å; E112-G115 PolarHBondContact O-N 3.21Å; T113-G115 VanDerWaalsContact C-N 3.28Å; T113-G115 PolarHBondContact O-N 3.48Å |
| 116 | V | 78.1 | Confident | 84.3 | Confident | 22 Ų | 22 | 81.6 Ų | 81.6 | 13% | 0.133 | 42% | 0.416 | C | S | . | . | trans | -88.8 | 126.1 | 178.7 | -172.1 | 0 | 0 | 0 | 0 | 109.9 | V90 L111 Q114 L118 | V90-V116 HydrophobicContact CG2-CG1 3.4Å; V90-V116 VanDerWaalsContact CG2-CG1 3.4Å; L111-V116 HydrophobicContact CD2-CB 4.41Å; L111-V116 HydrophobicContact CD2-CG2 4.42Å; L111-V116 PolarHBondContact O-N 2.95Å; L111-V116 VanDerWaalsContact O-N 3.11Å; Q114-V116 VanDerWaalsContact C-N 3.26Å; Q114-V116 HydrophobicContact CB-CG2 4.15Å; Q114-V116 PolarHBondContact O-N 2.63Å; V116-L118 PolarHBondContact O-N 3.43Å | ||
| 117 | D | 77.8 | Confident | 84.1 | Confident | 143 Ų | 143 | 77.2 Ų | 77.2 | 77% | 0.765 | 40% | 0.396 | S | S | * | . | trans | -54.7 | 111.7 | 172.6 | -73.1 | -26.1 | 0 | 0 | 0 | 111.2 | ||||
| 118 | L | 76.1 | Confident | 84.1 | Confident | 58 Ų | 58 | 77.7 Ų | 77.7 | 30% | 0.304 | 40% | 0.398 | S | S | . | . | trans | -71.5 | 137.5 | -179.6 | -78 | 177.6 | 0 | 0 | 0 | 110.7 | K108 L111 E112 V116 | K108-L118 HydrophobicContact CG-CD1 3.92Å; K108-L118 HydrophobicContact CG-CD2 4.44Å; L111-L118 HydrophobicContact CB-CD2 3.73Å; L111-L118 HydrophobicContact CD1-CD2 3.84Å; L111-L118 HydrophobicContact CG-CD2 4.47Å; E112-L118 HydrophobicContact CG-CD1 3.43Å; E112-L118 VanDerWaalsContact CG-CD1 3.43Å; E112-L118 HydrophobicContact CG-CG 4.17Å; E112-L118 WeakPolarHBondContact OE1-CD1 3.45Å; V116-L118 PolarHBondContact O-N 3.43Å | ||
| 119 | P | 77.7 | Confident | 84 | Confident | 18 Ų | 18 | 76.1 Ų | 76.1 | 12% | 0.117 | 40% | 0.402 | C | S | . | . | trans | -67.6 | 156 | 168.5 | 29.4 | -32.3 | 0 | 0 | 0 | 110.2 | P86 V90 K123 F124 | P86-P119 HydrophobicContact CB-CB 3.93Å; P86-P119 HydrophobicContact CB-CG 4.02Å; V90-P119 HydrophobicContact CG1-CG 4.17Å; P119-K123 HydrophobicContact CB-CB 4Å; P119-F124 HydrophobicContact CG-CB 4.11Å; P119-F124 HydrophobicContact CG-CD2 4.1Å | ||
| 120 | S | 82.2 | Confident | 83.8 | Confident | 58 Ų | 58 | 72.5 Ų | 72.5 | 41% | 0.406 | 39% | 0.389 | S | S | . | . | trans | -45.3 | 143.9 | 173.3 | 64.9 | 0 | 0 | 0 | 0 | 111.4 | R122 K123 F124 | S120-R122 PolarHBondContact O-N 2.92Å; S120-K123 WeakPolarHBondContact O-CA 3.46Å; S120-K123 WeakPolarHBondContact O-CB 3.34Å; S120-K123 PolarHBondContact O-N 3.26Å; S120-K123 WeakPolarHBondContact OG-CB 3.37Å; S120-K123 WeakPolarHBondContact OG-CD 3.41Å; S120-K123 VanDerWaalsContact OG-CG 3.25Å; S120-K123 WeakPolarHBondContact OG-CG 3.43Å; S120-F124 PolarHBondContact O-N 3.3Å | ||
| 121 | P | 84.3 | Confident | 83.6 | Confident | 95 Ų | 95 | 73.1 Ų | 73.1 | 62% | 0.617 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -50 | -39.2 | -174.9 | -30 | 34.5 | 0 | 0 | 0 | 114.4 | F124 R125 | P121-F124 PolarHBondContact O-N 2.8Å; P121-R125 WeakPolarHBondContact O-CG 3.39Å; P121-R125 PolarHBondContact O-N 3.01Å |
| 122 | R | 84.2 | Confident | 83.4 | Confident | 211 Ų | 211 | 78.6 Ų | 78.6 | 80% | 0.796 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -61.7 | -48.9 | 176.5 | -170.1 | 175.8 | -179.2 | -176.6 | 1.3 | 112.2 | S120 F124 R125 S126 | S120-R122 PolarHBondContact O-N 2.92Å; R122-F124 VanDerWaalsContact C-N 3.32Å; R122-F124 PolarHBondContact O-N 2.94Å; R122-R125 PolarHBondContact O-N 3.46Å; R122-S126 PolarHBondContact O-N 2.8Å; R122-S126 PolarHBondContact O-OG 2.93Å; R122-S126 VanDerWaalsContact O-OG 3.14Å |
| 123 | K | 82.7 | Confident | 83 | Confident | 87 Ų | 87 | 77.5 Ų | 77.5 | 38% | 0.378 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -62.5 | -38.6 | 176.4 | -71.8 | 175.9 | -179.3 | 177.3 | 0 | 112 | S84 P119 S120 L127 | S84-K123 VanDerWaalsContact O-CD 3.25Å; S84-K123 WeakPolarHBondContact O-CD 3.49Å; S84-K123 WeakPolarHBondContact O-CE 3.37Å; P119-K123 HydrophobicContact CB-CB 4Å; S120-K123 WeakPolarHBondContact O-CA 3.46Å; S120-K123 WeakPolarHBondContact O-CB 3.34Å; S120-K123 PolarHBondContact O-N 3.26Å; S120-K123 WeakPolarHBondContact OG-CB 3.37Å; S120-K123 WeakPolarHBondContact OG-CD 3.41Å; S120-K123 VanDerWaalsContact OG-CG 3.25Å; S120-K123 WeakPolarHBondContact OG-CG 3.43Å; K123-L127 WeakPolarHBondContact O-CB 3.3Å; K123-L127 PolarHBondContact O-N 2.85Å |
| 124 | F | 86.5 | Confident | 82.4 | Confident | 20 Ų | 20 | 77.5 Ų | 77.5 | 9% | 0.088 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -63.3 | -49.5 | 176.8 | -172.1 | -106.7 | 0 | 0 | 0 | 111.4 | V94 V107 K108 L111 P119 S120 P121 R122 S126 L127 I128 | V94-F124 HydrophobicContact CG2-CE2 4.06Å; V107-F124 HydrophobicContact CB-CZ 4.26Å; V107-F124 HydrophobicContact CG1-CE2 4.25Å; V107-F124 HydrophobicContact CG1-CZ 3.93Å; K108-F124 HydrophobicContact CB-CE1 4.02Å; K108-F124 HydrophobicContact CB-CZ 3.99Å; L111-F124 HydrophobicContact CD1-CE2 3.77Å; L111-F124 HydrophobicContact CD1-CZ 4.5Å; P119-F124 HydrophobicContact CG-CB 4.11Å; P119-F124 HydrophobicContact CG-CD2 4.1Å; S120-F124 PolarHBondContact O-N 3.3Å; P121-F124 PolarHBondContact O-N 2.8Å; R122-F124 VanDerWaalsContact C-N 3.32Å; R122-F124 PolarHBondContact O-N 2.94Å; F124-S126 VanDerWaalsContact C-N 3.35Å; F124-S126 PolarHBondContact O-N 3.43Å; F124-L127 WeakPolarHBondContact O-CB 3.45Å; F124-L127 PolarHBondContact O-N 3.32Å; F124-L127 VanDerWaalsContact O-N 3.09Å; F124-I128 HydrophobicContact CD1-CG1 4.19Å; F124-I128 HydrophobicContact CE1-CD1 4.18Å; F124-I128 HydrophobicContact CE1-CG1 3.88Å; F124-I128 HydrophobicContact CE2-CD1 4.3Å; F124-I128 HydrophobicContact CE2-CG1 4.46Å; F124-I128 HydrophobicContact CZ-CD1 3.86Å; F124-I128 HydrophobicContact CZ-CG1 4.03Å; F124-I128 WeakPolarHBondContact O-CG1 2.97Å; F124-I128 PolarHBondContact O-N 3.28Å |
| 125 | R | 86.7 | Confident | 81.5 | Confident | 190 Ų | 190 | 79.7 Ų | 79.7 | 72% | 0.717 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -57 | -46.1 | 176.3 | -70.9 | 177.6 | -172.2 | 173.8 | 2.7 | 112.1 | P121 R122 L127 I128 A129 | P121-R125 WeakPolarHBondContact O-CG 3.39Å; P121-R125 PolarHBondContact O-N 3.01Å; R122-R125 PolarHBondContact O-N 3.46Å; R125-L127 VanDerWaalsContact C-N 3.3Å; R125-L127 PolarHBondContact O-N 3.25Å; R125-I128 PolarHBondContact O-N 3.33Å; R125-A129 WeakPolarHBondContact O-CB 3.46Å; R125-A129 PolarHBondContact O-N 2.85Å |
| 126 | S | 86 | Confident | 80.5 | Confident | 74 Ų | 74 | 80.1 Ų | 80.1 | 52% | 0.517 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -61.9 | -36.8 | 176.3 | -59.2 | 0 | 0 | 0 | 0 | 112.8 | R122 F124 Y130 | R122-S126 PolarHBondContact O-N 2.8Å; R122-S126 PolarHBondContact O-OG 2.93Å; R122-S126 VanDerWaalsContact O-OG 3.14Å; F124-S126 VanDerWaalsContact C-N 3.35Å; F124-S126 PolarHBondContact O-N 3.43Å; S126-Y130 WeakPolarHBondContact O-CB 3.32Å; S126-Y130 PolarHBondContact O-N 3.37Å |
| 127 | L | 85.3 | Confident | 79.5 | Confident | 6 Ų | 6 | 82.2 Ų | 82.2 | 3% | 0.031 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -66.4 | -46.5 | 177.6 | -173.2 | 70 | 0 | 0 | 0 | 111.7 | P86 V90 R91 V94 K123 F124 R125 A129 Y130 Y131 | P86-L127 HydrophobicContact CG-CB 4.47Å; P86-L127 HydrophobicContact CG-CD1 3.95Å; P86-L127 HydrophobicContact CG-CD2 3.77Å; P86-L127 HydrophobicContact CG-CG 4.28Å; V90-L127 HydrophobicContact CG1-CD2 4.28Å; R91-L127 HydrophobicContact CG-CD1 3.98Å; R91-L127 HydrophobicContact CG-CD2 4.39Å; V94-L127 HydrophobicContact CB-CD2 3.9Å; V94-L127 HydrophobicContact CG1-CD2 3.86Å; V94-L127 HydrophobicContact CG1-CG 4.16Å; V94-L127 HydrophobicContact CG2-CD2 3.8Å; K123-L127 WeakPolarHBondContact O-CB 3.3Å; K123-L127 PolarHBondContact O-N 2.85Å; F124-L127 WeakPolarHBondContact O-CB 3.45Å; F124-L127 PolarHBondContact O-N 3.32Å; F124-L127 VanDerWaalsContact O-N 3.09Å; R125-L127 VanDerWaalsContact C-N 3.3Å; R125-L127 PolarHBondContact O-N 3.25Å; L127-A129 VanDerWaalsContact C-N 3.35Å; L127-Y130 PolarHBondContact O-N 2.8Å; L127-Y131 HydrophobicContact CD1-CD2 4.1Å; L127-Y131 HydrophobicContact CD1-CE2 3.58Å; L127-Y131 HydrophobicContact CG-CD2 4.07Å; L127-Y131 HydrophobicContact CG-CE2 3.91Å; L127-Y131 VanDerWaalsContact O-CD2 3.31Å; L127-Y131 WeakPolarHBondContact O-CD2 2.9Å; L127-Y131 PolarHBondContact O-N 2.99Å |
| 128 | I | 88.8 | Confident | 78.4 | Confident | 10 Ų | 10 | 79.6 Ų | 79.6 | 5% | 0.051 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -59.6 | -47.3 | 176 | -63.7 | -65.2 | 0 | 0 | 0 | 110.2 | V94 L98 P104 V107 F124 R125 Y130 Y131 K132 | V94-I128 HydrophobicContact CG1-CD1 3.73Å; L98-I128 HydrophobicContact CD1-CD1 4.01Å; L98-I128 HydrophobicContact CD2-CD1 4.15Å; L98-I128 HydrophobicContact CG-CD1 4.3Å; P104-I128 HydrophobicContact CB-CG1 4.38Å; P104-I128 HydrophobicContact CB-CG2 4.04Å; P104-I128 HydrophobicContact CG-CG2 3.7Å; V107-I128 HydrophobicContact CB-CD1 4.49Å; V107-I128 HydrophobicContact CG1-CD1 4.22Å; F124-I128 HydrophobicContact CD1-CG1 4.19Å; F124-I128 HydrophobicContact CE1-CD1 4.18Å; F124-I128 HydrophobicContact CE1-CG1 3.88Å; F124-I128 HydrophobicContact CE2-CD1 4.3Å; F124-I128 HydrophobicContact CE2-CG1 4.46Å; F124-I128 HydrophobicContact CZ-CD1 3.86Å; F124-I128 HydrophobicContact CZ-CG1 4.03Å; F124-I128 WeakPolarHBondContact O-CG1 2.97Å; F124-I128 PolarHBondContact O-N 3.28Å; R125-I128 PolarHBondContact O-N 3.33Å; I128-Y130 VanDerWaalsContact C-N 3.35Å; I128-Y130 PolarHBondContact O-N 3.36Å; I128-Y131 PolarHBondContact O-N 2.7Å; I128-K132 HydrophobicContact CG2-CD 4.22Å; I128-K132 HydrophobicContact CG2-CG 4.42Å; I128-K132 WeakPolarHBondContact O-CG 3.19Å; I128-K132 PolarHBondContact O-N 2.81Å |
| 129 | A | 86.4 | Confident | 77.2 | Confident | 58 Ų | 58 | 82 Ų | 82 | 48% | 0.479 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -58.9 | -44.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | R125 L127 Y131 K132 S133 | R125-A129 WeakPolarHBondContact O-CB 3.46Å; R125-A129 PolarHBondContact O-N 2.85Å; L127-A129 VanDerWaalsContact C-N 3.35Å; A129-Y131 PolarHBondContact O-N 3.21Å; A129-K132 PolarHBondContact O-N 2.71Å; A129-S133 PolarHBondContact O-N 2.79Å; A129-S133 PolarHBondContact O-OG 2.89Å |
| 130 | Y | 85.2 | Confident | 75.7 | Confident | 104 Ų | 104 | 83.1 Ų | 83.1 | 41% | 0.408 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -59.8 | -41.9 | 177.2 | 171 | -96.6 | 0 | 0 | 0 | 113.3 | S126 L127 I128 S133 K134 | S126-Y130 WeakPolarHBondContact O-CB 3.32Å; S126-Y130 PolarHBondContact O-N 3.37Å; L127-Y130 PolarHBondContact O-N 2.8Å; I128-Y130 VanDerWaalsContact C-N 3.35Å; I128-Y130 PolarHBondContact O-N 3.36Å; Y130-S133 PolarHBondContact O-OG 3.39Å; Y130-K134 HydrophobicContact CE1-CD 4.33Å; Y130-K134 PolarHBondContact O-N 2.78Å; Y130-K134 VanDerWaalsContact O-N 3.1Å; Y130-K134 VanDerWaalsContact OH-CE 3.32Å; Y130-K134 WeakPolarHBondContact OH-CE 3.33Å |
| 131 | Y | 83.2 | Confident | 73.9 | Confident | 36 Ų | 36 | 85.7 Ų | 85.7 | 14% | 0.141 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -77.6 | -32.1 | 179.5 | -77.2 | -64.4 | 0 | 0 | 0 | 113 | V94 K95 L98 L127 I128 A129 K134 R135 | V94-Y131 HydrophobicContact CG1-CD2 4.11Å; V94-Y131 HydrophobicContact CG1-CE2 4.45Å; K95-Y131 HydrophobicContact CB-CD1 4.35Å; K95-Y131 HydrophobicContact CB-CE1 3.93Å; K95-Y131 HydrophobicContact CB-CE2 4.39Å; K95-Y131 HydrophobicContact CD-CE1 4.12Å; K95-Y131 HydrophobicContact CG-CD1 4.17Å; K95-Y131 HydrophobicContact CG-CE1 3.87Å; L98-Y131 HydrophobicContact CD1-CD2 4.38Å; L98-Y131 HydrophobicContact CD1-CG 4.29Å; L127-Y131 HydrophobicContact CD1-CD2 4.1Å; L127-Y131 HydrophobicContact CD1-CE2 3.58Å; L127-Y131 HydrophobicContact CG-CD2 4.07Å; L127-Y131 HydrophobicContact CG-CE2 3.91Å; L127-Y131 VanDerWaalsContact O-CD2 3.31Å; L127-Y131 WeakPolarHBondContact O-CD2 2.9Å; L127-Y131 PolarHBondContact O-N 2.99Å; I128-Y131 PolarHBondContact O-N 2.7Å; A129-Y131 PolarHBondContact O-N 3.21Å; Y131-K134 PolarHBondContact O-N 3.44Å; Y131-R135 PolarHBondContact O-N 3.43Å; Y131-R135 VanDerWaalsContact O-N 3.1Å |
| 132 | K | 82.2 | Confident | 72 | Confident | 115 Ų | 115 | 84.5 Ų | 84.5 | 50% | 0.5 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -62.5 | -44.9 | 170.5 | -76 | -170.3 | 171.9 | -163.8 | 0 | 111.3 | I128 A129 K134 R135 S136 | I128-K132 HydrophobicContact CG2-CD 4.22Å; I128-K132 HydrophobicContact CG2-CG 4.42Å; I128-K132 WeakPolarHBondContact O-CG 3.19Å; I128-K132 PolarHBondContact O-N 2.81Å; A129-K132 PolarHBondContact O-N 2.71Å; K132-K134 PolarHBondContact O-N 3.45Å; K132-R135 PolarHBondContact O-N 2.96Å; K132-S136 PolarHBondContact O-N 3.13Å; K132-S136 PolarHBondContact O-OG 2.76Å |
| 133 | S | 78.3 | Confident | 70.1 | Confident | 64 Ų | 64 | 83.9 Ų | 83.9 | 45% | 0.448 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -66.7 | -35.4 | 178 | 68.9 | 0 | 0 | 0 | 0 | 113 | A129 Y130 R135 S136 A137 | A129-S133 PolarHBondContact O-N 2.79Å; A129-S133 PolarHBondContact O-OG 2.89Å; Y130-S133 PolarHBondContact O-OG 3.39Å; S133-R135 VanDerWaalsContact C-N 3.33Å; S133-R135 PolarHBondContact O-N 2.91Å; S133-S136 WeakPolarHBondContact CA-OG 3.37Å; S133-S136 PolarHBondContact O-N 2.85Å; S133-S136 PolarHBondContact O-OG 3.47Å; S133-A137 WeakPolarHBondContact O-CB 3.45Å; S133-A137 PolarHBondContact O-N 3.27Å |
| 134 | K | 74.9 | Confident | 68.5 | Low | 123 Ų | 123 | 87.3 Ų | 87.3 | 54% | 0.535 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.3 | -35.4 | 173.1 | -106.9 | -163.6 | 176.3 | -160.6 | 0 | 113.1 | Y130 Y131 K132 A137 S138 | Y130-K134 HydrophobicContact CE1-CD 4.33Å; Y130-K134 PolarHBondContact O-N 2.78Å; Y130-K134 VanDerWaalsContact O-N 3.1Å; Y130-K134 VanDerWaalsContact OH-CE 3.32Å; Y130-K134 WeakPolarHBondContact OH-CE 3.33Å; Y131-K134 PolarHBondContact O-N 3.44Å; K132-K134 PolarHBondContact O-N 3.45Å; K134-A137 PolarHBondContact O-N 3.24Å; K134-S138 PolarHBondContact O-N 2.85Å; K134-S138 VanDerWaalsContact O-N 3.08Å |
| 135 | R | 64.5 | Low | 66.3 | Low | 114 Ų | 114 | 92.5 Ų | 92.5 | 43% | 0.43 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -70.9 | -40.2 | 175 | -88.7 | -179.6 | 138.4 | -168.1 | -7.7 | 112.7 | L98 S99 Y131 K132 S133 A137 S138 C139 | L98-R135 VanDerWaalsContact O-CZ 3.27Å; L98-R135 PolarHBondContact O-NH1 3.44Å; S99-R135 VanDerWaalsContact C-NH2 3.31Å; S99-R135 PolarHBondContact O-NH2 2.89Å; Y131-R135 PolarHBondContact O-N 3.43Å; Y131-R135 VanDerWaalsContact O-N 3.1Å; K132-R135 PolarHBondContact O-N 2.96Å; S133-R135 VanDerWaalsContact C-N 3.33Å; S133-R135 PolarHBondContact O-N 2.91Å; R135-A137 PolarHBondContact O-N 3.44Å; R135-S138 WeakPolarHBondContact CA-OG 3.42Å; R135-S138 PolarHBondContact O-N 2.87Å; R135-S138 PolarHBondContact O-OG 2.82Å; R135-C139 PolarHBondContact O-N 2.79Å; R135-C139 VanDerWaalsContact O-N 3.13Å |
| 136 | S | 59.3 | Low | 64.3 | Low | 76 Ų | 76 | 93.4 Ų | 93.4 | 53% | 0.531 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.9 | -31.8 | 173 | 58.4 | 0 | 0 | 0 | 0 | 111.4 | K132 S133 C139 G140 | K132-S136 PolarHBondContact O-N 3.13Å; K132-S136 PolarHBondContact O-OG 2.76Å; S133-S136 WeakPolarHBondContact CA-OG 3.37Å; S133-S136 PolarHBondContact O-N 2.85Å; S133-S136 PolarHBondContact O-OG 3.47Å; S136-C139 CarbonylContact O-C 3.58Å; S136-C139 PolarHBondContact O-N 3.39Å; S136-G140 VanDerWaalsContact O-CA 3.23Å; S136-G140 WeakPolarHBondContact O-CA 3.37Å; S136-G140 PolarHBondContact O-N 2.85Å |
| 137 | A | 56.9 | Low | 62.4 | Low | 67 Ų | 67 | 101.7 Ų | 101.7 | 55% | 0.554 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -68.3 | -34.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | S133 K134 R135 C139 | S133-A137 WeakPolarHBondContact O-CB 3.45Å; S133-A137 PolarHBondContact O-N 3.27Å; K134-A137 PolarHBondContact O-N 3.24Å; R135-A137 PolarHBondContact O-N 3.44Å; A137-C139 VanDerWaalsContact C-N 3.33Å |
| 138 | S | 54.3 | Low | 60.4 | Low | 87 Ų | 87 | 111 Ų | 111 | 61% | 0.608 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -74.2 | -20.8 | 175.5 | 59.4 | 0 | 0 | 0 | 0 | 114.1 | K134 R135 | K134-S138 PolarHBondContact O-N 2.85Å; K134-S138 VanDerWaalsContact O-N 3.08Å; R135-S138 WeakPolarHBondContact CA-OG 3.42Å; R135-S138 PolarHBondContact O-N 2.87Å; R135-S138 PolarHBondContact O-OG 2.82Å |
| 139 | C | 51.3 | Low | 58.2 | Low | 110 Ų | 110 | 119.7 Ų | 119.7 | 74% | 0.743 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -105.1 | -1.9 | 174.1 | -67 | 0 | 0 | 0 | 0 | 113.4 | R135 S136 A137 | R135-C139 PolarHBondContact O-N 2.79Å; R135-C139 VanDerWaalsContact O-N 3.13Å; S136-C139 CarbonylContact O-C 3.58Å; S136-C139 PolarHBondContact O-N 3.39Å; A137-C139 VanDerWaalsContact C-N 3.33Å |
| 140 | G | 46.9 | Very low | 56.1 | Low | 40 Ų | 40 | 122.5 Ų | 122.5 | 41% | 0.412 | 65% | 0.651 | S | S | . | * | trans | -105.8 | 4.9 | -169.8 | 0 | 0 | 0 | 0 | 0 | 115 | S136 A142 | S136-G140 VanDerWaalsContact O-CA 3.23Å; S136-G140 WeakPolarHBondContact O-CA 3.37Å; S136-G140 PolarHBondContact O-N 2.85Å; G140-A142 PolarHBondContact O-N 3.48Å | ||
| 141 | S | 44.9 | Very low | 54.2 | Low | 113 Ų | 113 | 126.3 Ų | 126.3 | 79% | 0.79 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | 9.2 | 177.6 | 75.3 | 0 | 0 | 0 | 0 | 114 | ||
| 142 | A | 43.5 | Very low | 52.2 | Low | 70 Ų | 70 | 132.6 Ų | 132.6 | 58% | 0.579 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.7 | 4 | -172.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | G140 | G140-A142 PolarHBondContact O-N 3.48Š|
| 143 | F | 45 | Very low | 50.4 | Low | 198 Ų | 198 | 135.6 Ų | 135.6 | 87% | 0.868 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -136.7 | 19.3 | -172.8 | -79.9 | -80.5 | 0 | 0 | 0 | 116.8 | ||
| 144 | I | 47.5 | Very low | 48.5 | Very low | 159 Ų | 159 | 140.7 Ų | 140.7 | 82% | 0.815 | 74% | 0.74 | S | S | * | * | trans | -115.1 | 67.4 | 173.9 | -45.3 | 178.6 | 0 | 0 | 0 | 110.4 | ||||
| 145 | T | 41.4 | Very low | 46.7 | Very low | 129 Ų | 129 | 142 Ų | 142 | 79% | 0.791 | 76% | 0.759 | S | S | * | * | trans | -151.1 | 83.6 | 161.4 | 43.8 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 146 | K | 45.2 | Very low | 45.4 | Very low | 208 Ų | 208 | 143.8 Ų | 143.8 | 90% | 0.904 | 78% | 0.777 | S | S | * | * | S | Bend | trans | 174.2 | 92.1 | 160.1 | -100.9 | 169.6 | -173.3 | -173 | 0 | 109.4 | ||
| 147 | R | 44.7 | Very low | 44.7 | Very low | 248 Ų | 248 | 145.8 Ų | 145.8 | 94% | 0.936 | 79% | 0.788 | S | S | * | * | S | Bend | trans | 149.5 | 77.7 | 155 | -93.4 | -178.8 | 160.4 | 165.5 | -4.4 | 110.5 | ||
| 148 | Q | 43.8 | Very low | 43.8 | Very low | 203 Ų | 203 | 151.5 Ų | 151.5 | 95% | 0.949 | 80% | 0.801 | S | S | * | * | trans | -170.9 | 69.2 | 143.9 | -110.6 | 179.2 | 0.1 | 0 | 0 | 107.5 | ||||
| 149 | E | 43.3 | Very low | 43.4 | Very low | 191 Ų | 191 | 156.6 Ų | 156.6 | 89% | 0.893 | 82% | 0.815 | S | S | * | * | trans | -140.7 | 62.3 | 173.7 | -162.2 | 167.8 | 176.8 | 0 | 0 | 106.7 | ||||
| 150 | S | 42.2 | Very low | 43.2 | Very low | 118 Ų | 118 | 160.1 Ų | 160.1 | 83% | 0.825 | 82% | 0.82 | S | S | * | * | S | Bend | trans | -162.5 | 48.3 | 178.9 | -41.8 | 0 | 0 | 0 | 0 | 110.8 | ||
| 151 | Q | 44.4 | Very low | 43 | Very low | 183 Ų | 183 | 163 Ų | 163 | 86% | 0.855 | 83% | 0.831 | S | S | * | * | S | Bend | trans | -168.7 | 86.1 | 168.3 | -121 | 178 | 4 | 0 | 0 | 107.8 | ||
| 152 | N | 41.4 | Very low | 43.2 | Very low | 168 Ų | 168 | 166 Ų | 166 | 90% | 0.898 | 83% | 0.83 | S | S | * | * | trans | 164.9 | 68.2 | 158 | -83.7 | -13.8 | 0 | 0 | 0 | 108.9 | ||||
| 153 | Q | 44.6 | Very low | 43.2 | Very low | 179 Ų | 179 | 171 Ų | 171 | 84% | 0.836 | 84% | 0.841 | S | S | * | * | trans | -154.2 | 132.1 | 158.5 | -112.7 | 170.7 | 33.1 | 0 | 0 | 109.1 | ||||
| 154 | E | 39 | Very low | 43 | Very low | 170 Ų | 170 | 164.8 Ų | 164.8 | 79% | 0.794 | 83% | 0.834 | S | S | * | * | trans | 66.3 | 112.3 | 163.6 | -78.9 | 168.6 | 99.1 | 0 | 0 | 119.3 | ||||
| 155 | T | 36.7 | Very low | 42.7 | Very low | 150 Ų | 150 | 163.2 Ų | 163.2 | 92% | 0.92 | 84% | 0.837 | S | S | * | * | trans | -166.6 | 94.8 | 131.7 | 15.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 156 | D | 37.3 | Very low | 43 | Very low | 152 Ų | 152 | 161.7 Ų | 161.7 | 81% | 0.813 | 83% | 0.832 | S | S | * | * | trans | -117.5 | 140 | 139.1 | -120.4 | -51.4 | 0 | 0 | 0 | 103.2 | ||||
| 157 | P | 43.5 | Very low | 43 | Very low | 118 Ų | 118 | 156.8 Ų | 156.8 | 77% | 0.766 | 82% | 0.824 | S | S | * | * | cis | -140.8 | 169.4 | 46.4 | 32.5 | -9.7 | 0 | 0 | 0 | 116.4 | ||||
| 158 | K | 39.3 | Very low | 43.1 | Very low | 188 Ų | 188 | 153.2 Ų | 153.2 | 82% | 0.817 | 82% | 0.817 | S | S | * | * | trans | -23.4 | 130.7 | 158.8 | -78.9 | 170.3 | 169.3 | 172.9 | 0 | 115.3 | ||||
| 159 | E | 45.1 | Very low | 43.2 | Very low | 194 Ų | 194 | 152 Ų | 152 | 91% | 0.907 | 81% | 0.809 | S | S | * | * | -175.4 | 145.9 | 115.9 | -99.4 | 179.1 | 154.1 | 0 | 0 | 112.2 | |||||
| 160 | H | 47.5 | Very low | 43.5 | Very low | 183 Ų | 183 | 150.2 Ų | 150.2 | 85% | 0.847 | 81% | 0.806 | S | S | * | * | trans | -77.3 | -179.7 | -176.9 | -90 | -87.9 | 0 | 0 | 0 | 112.4 | ||||
| 161 | P | 42.9 | Very low | 43.8 | Very low | 100 Ų | 100 | 150.5 Ų | 150.5 | 65% | 0.649 | 81% | 0.805 | S | S | * | * | -132.5 | -167 | -76.1 | 36 | -13.3 | 0 | 0 | 0 | 112 | |||||
| 162 | K | 49.8 | Very low | 43.5 | Very low | 178 Ų | 178 | 145.8 Ų | 145.8 | 77% | 0.774 | 81% | 0.805 | S | S | * | * | trans | 90.4 | 143.3 | 166.5 | -55 | -176.5 | 175.9 | -170.2 | 0 | 116.5 | ||||
| 163 | E | 43.6 | Very low | 43.4 | Very low | 173 Ų | 173 | 141 Ų | 141 | 81% | 0.808 | 80% | 0.795 | S | S | * | * | cis | -173.8 | 151.6 | -12.4 | -106.8 | 175.8 | 134.2 | 0 | 0 | 104.4 | ||||
| 164 | G | 38.9 | Very low | 43.1 | Very low | 69 Ų | 69 | 139 Ų | 139 | 71% | 0.711 | 80% | 0.796 | S | S | * | * | trans | 96 | 107.3 | 161.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 165 | S | 41.8 | Very low | 42.9 | Very low | 125 Ų | 125 | 136.2 Ų | 136.2 | 87% | 0.874 | 80% | 0.795 | S | S | * | * | 57 | 133.3 | 85.2 | -77.9 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 166 | S | 47.2 | Very low | 43.2 | Very low | 98 Ų | 98 | 134.9 Ų | 134.9 | 69% | 0.685 | 79% | 0.792 | S | S | * | * | cis | -178.4 | 158.2 | 4.1 | 56.5 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 167 | S | 46.1 | Very low | 43.4 | Very low | 105 Ų | 105 | 133 Ų | 133 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | trans | 78.5 | 139.3 | 140.3 | -65.2 | 0 | 0 | 0 | 0 | 123 | ||||
| 168 | Q | 47.3 | Very low | 43.4 | Very low | 173 Ų | 173 | 135.2 Ų | 135.2 | 81% | 0.808 | 80% | 0.796 | S | S | * | * | trans | 80.3 | 135.5 | 156 | -72.8 | 177.9 | -13.8 | 0 | 0 | 116.7 | ||||
| 169 | K | 45.4 | Very low | 43.5 | Very low | 178 Ų | 178 | 131.5 Ų | 131.5 | 77% | 0.774 | 79% | 0.793 | S | S | * | * | cis | -168.7 | 132.4 | 41.2 | -128.8 | 158.5 | -174.6 | -179.8 | 0 | 111.6 | ||||
| 170 | N | 50.3 | Low | 43.4 | Very low | 153 Ų | 153 | 127 Ų | 127 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | 34.4 | 151.2 | 142.2 | -71.5 | -25.7 | 0 | 0 | 0 | 126.3 | ||||
| 171 | P | 47.4 | Very low | 43.3 | Very low | 124 Ų | 124 | 124.6 Ų | 124.6 | 81% | 0.805 | 79% | 0.787 | S | S | * | * | trans | -96.4 | 167.2 | 176.8 | 40.7 | -34.1 | 0 | 0 | 0 | 113.4 | ||||
| 172 | G | 39.4 | Very low | 43.3 | Very low | 83 Ų | 83 | 127.4 Ų | 127.4 | 86% | 0.856 | 80% | 0.796 | S | S | * | * | trans | -177.4 | 142.1 | 169.4 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 173 | G | 37.7 | Very low | 43.2 | Very low | 68 Ų | 68 | 128.5 Ų | 128.5 | 70% | 0.701 | 80% | 0.797 | S | S | * | * | trans | 95.3 | 94.1 | 151.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 174 | T | 39.3 | Very low | 43.2 | Very low | 138 Ų | 138 | 125.5 Ų | 125.5 | 85% | 0.847 | 79% | 0.793 | S | S | * | * | 63.9 | 111.9 | 76.2 | 66.3 | 0 | 0 | 0 | 0 | 117.8 | |||||
| 175 | S | 34.9 | Very low | 43.9 | Very low | 110 Ų | 110 | 128.4 Ų | 128.4 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | 56.8 | 122.9 | 129.9 | -155.2 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 176 | S | 43.6 | Very low | 43.9 | Very low | 123 Ų | 123 | 128.1 Ų | 128.1 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | trans | -165.2 | 134.5 | 132 | -78.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 177 | S | 39.7 | Very low | 43.6 | Very low | 111 Ų | 111 | 128.7 Ų | 128.7 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | trans | -68.8 | 149.7 | 177.1 | -50.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 178 | D | 43.3 | Very low | 44.1 | Very low | 166 Ų | 166 | 129.5 Ų | 129.5 | 89% | 0.888 | 80% | 0.804 | S | S | * | * | trans | -148.3 | 132.4 | 147.3 | -119.5 | -41.7 | 0 | 0 | 0 | 111.9 | ||||
| 179 | S | 42.9 | Very low | 43.5 | Very low | 110 Ų | 110 | 128.2 Ų | 128.2 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | trans | -86.1 | 132.2 | -174.5 | 31.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 180 | A | 42.8 | Very low | 43.6 | Very low | 98 Ų | 98 | 128.3 Ų | 128.3 | 81% | 0.81 | 81% | 0.805 | S | S | * | * | trans | -137.3 | 101.3 | 161.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 181 | V | 45.1 | Very low | 42.9 | Very low | 134 Ų | 134 | 127.3 Ų | 127.3 | 81% | 0.812 | 81% | 0.805 | S | S | * | * | trans | -71.6 | 122.4 | 162.4 | -85.4 | 0 | 0 | 0 | 0 | 108 | ||||
| 182 | D | 43.1 | Very low | 42.8 | Very low | 158 Ų | 158 | 127 Ų | 127 | 85% | 0.845 | 80% | 0.802 | S | S | * | * | trans | -127.6 | 117.7 | 169.3 | -140.5 | -55 | 0 | 0 | 0 | 108.2 | ||||
| 183 | Y | 46.4 | Very low | 42.8 | Very low | 202 Ų | 202 | 128.9 Ų | 128.9 | 79% | 0.792 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 145.1 | -172.4 | -82.6 | -102.7 | 0 | 0 | 0 | 110.9 | ||
| 184 | P | 45.6 | Very low | 43.1 | Very low | 110 Ų | 110 | 132 Ų | 132 | 71% | 0.714 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 136.7 | 175.3 | 31.1 | -32 | 0 | 0 | 0 | 110.3 | S186 | P184-S186 PolarHBondContact O-N 2.87Š|
| 185 | P | 53.6 | Low | 42.9 | Very low | 130 Ų | 130 | 130.5 Ų | 130.5 | 84% | 0.844 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -73 | 132.4 | 169.2 | 28.1 | -30.7 | 0 | 0 | 0 | 110.5 | ||
| 186 | S | 40.7 | Very low | 43.6 | Very low | 118 Ų | 118 | 133.1 Ų | 133.1 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 147 | -179.1 | -55.1 | 0 | 0 | 0 | 0 | 114.6 | P184 | P184-S186 PolarHBondContact O-N 2.87Š|
| 187 | S | 41.3 | Very low | 43.5 | Very low | 110 Ų | 110 | 133.6 Ų | 133.6 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 139.3 | 174.7 | -166.1 | 0 | 0 | 0 | 0 | 112.8 | ||
| 188 | P | 55.5 | Low | 44 | Very low | 122 Ų | 122 | 133.8 Ų | 133.8 | 79% | 0.792 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -88.2 | 118.2 | 148.6 | 31.1 | -24.5 | 0 | 0 | 0 | 108.9 | ||
| 189 | D | 36.2 | Very low | 43.9 | Very low | 146 Ų | 146 | 131.5 Ų | 131.5 | 78% | 0.781 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 122 | 159.4 | -152 | -0.4 | 0 | 0 | 0 | 106.9 | ||
| 190 | E | 47.5 | Very low | 43.8 | Very low | 180 Ų | 180 | 134.4 Ų | 134.4 | 84% | 0.841 | 78% | 0.775 | S | S | * | * | trans | -169.3 | 107.6 | 151.4 | -109.2 | -175.2 | 149.1 | 0 | 0 | 111.9 | T192 | E190-T192 PolarHBondContact O-N 2.99Å; E190-T192 VanDerWaalsContact O-N 3.15Å | ||
| 191 | T | 35 | Very low | 43.7 | Very low | 133 Ų | 133 | 136.5 Ų | 136.5 | 82% | 0.816 | 78% | 0.778 | S | S | * | * | trans | -48.3 | 103.7 | 165.9 | -57.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 192 | T | 45.8 | Very low | 43.4 | Very low | 118 Ų | 118 | 134.6 Ų | 134.6 | 72% | 0.724 | 77% | 0.771 | S | S | * | * | trans | -131.4 | 122.1 | 161.7 | 27.5 | 0 | 0 | 0 | 0 | 110.6 | E190 I194 | E190-T192 PolarHBondContact O-N 2.99Å; E190-T192 VanDerWaalsContact O-N 3.15Å; T192-I194 PolarHBondContact O-N 3.4Å | ||
| 193 | P | 39.5 | Very low | 43.1 | Very low | 121 Ų | 121 | 138.9 Ų | 138.9 | 79% | 0.786 | 78% | 0.775 | S | S | * | * | trans | -71.5 | 115.4 | 172.5 | 28.7 | -30.3 | 0 | 0 | 0 | 108.4 | S195 | P193-S195 PolarHBondContact O-N 3.3Š| ||
| 194 | I | 44.1 | Very low | 42.7 | Very low | 133 Ų | 133 | 136.7 Ų | 136.7 | 68% | 0.682 | 78% | 0.776 | S | S | * | * | trans | -71 | 96.9 | 172.4 | -51.2 | 172.3 | 0 | 0 | 0 | 107.8 | T192 F196 | T192-I194 PolarHBondContact O-N 3.4Å; I194-F196 HydrophobicContact CB-CD2 4.27Å; I194-F196 HydrophobicContact CB-CE2 4.05Å; I194-F196 HydrophobicContact CG2-CD2 3.5Å; I194-F196 HydrophobicContact CG2-CE1 4.48Å; I194-F196 HydrophobicContact CG2-CE2 3.19Å; I194-F196 HydrophobicContact CG2-CG 4.3Å; I194-F196 HydrophobicContact CG2-CZ 3.74Å; I194-F196 PolarHBondContact O-N 2.85Å | ||
| 195 | S | 35.1 | Very low | 42.1 | Very low | 107 Ų | 107 | 134.7 Ų | 134.7 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | trans | -70.7 | 105.6 | 167 | -177.1 | 0 | 0 | 0 | 0 | 108.6 | P193 | P193-S195 PolarHBondContact O-N 3.3Š| ||
| 196 | F | 50.1 | Low | 41.4 | Very low | 166 Ų | 166 | 137 Ų | 137 | 73% | 0.728 | 78% | 0.776 | S | S | * | * | trans | -92.3 | 104.4 | 170 | -84.5 | -77.8 | 0 | 0 | 0 | 109.4 | I194 L198 | I194-F196 HydrophobicContact CB-CD2 4.27Å; I194-F196 HydrophobicContact CB-CE2 4.05Å; I194-F196 HydrophobicContact CG2-CD2 3.5Å; I194-F196 HydrophobicContact CG2-CE1 4.48Å; I194-F196 HydrophobicContact CG2-CE2 3.19Å; I194-F196 HydrophobicContact CG2-CG 4.3Å; I194-F196 HydrophobicContact CG2-CZ 3.74Å; I194-F196 PolarHBondContact O-N 2.85Å; F196-L198 PolarHBondContact O-N 2.97Å; F196-L198 VanDerWaalsContact O-N 3.14Å | ||
| 197 | V | 40.6 | Very low | 41.1 | Very low | 133 Ų | 133 | 136.4 Ų | 136.4 | 81% | 0.806 | 78% | 0.777 | S | S | * | * | trans | -71.3 | 100.5 | 157.7 | -179.3 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 198 | L | 50.6 | Low | 41 | Very low | 114 Ų | 114 | 135.7 Ų | 135.7 | 60% | 0.597 | 78% | 0.779 | S | S | * | * | trans | -58.9 | 140.3 | 164.6 | -87.5 | 141.7 | 0 | 0 | 0 | 108.6 | F196 Q200 | F196-L198 PolarHBondContact O-N 2.97Å; F196-L198 VanDerWaalsContact O-N 3.14Å; L198-Q200 PolarHBondContact O-N 2.87Å | ||
| 199 | P | 40.9 | Very low | 40.2 | Very low | 119 Ų | 119 | 135.5 Ų | 135.5 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | trans | -59.4 | 109.1 | 164.2 | -13 | 26.2 | 0 | 0 | 0 | 107.3 | T201 | P199-T201 PolarHBondContact O-N 2.9Š| ||
| 200 | Q | 40.5 | Very low | 40.2 | Very low | 170 Ų | 170 | 133.6 Ų | 133.6 | 79% | 0.794 | 78% | 0.778 | S | S | * | * | trans | -61.1 | 117.7 | 161.7 | -70.9 | -175.4 | -14.4 | 0 | 0 | 105.5 | L198 S202 | L198-Q200 PolarHBondContact O-N 2.87Å; Q200-S202 PolarHBondContact O-N 3.4Å; Q200-S202 PolarHBondContact O-OG 3.35Å | ||
| 201 | T | 40.8 | Very low | 40.1 | Very low | 142 Ų | 142 | 134.1 Ų | 134.1 | 87% | 0.871 | 78% | 0.778 | S | S | * | * | trans | -66.6 | 90 | 163 | 50.3 | 0 | 0 | 0 | 0 | 106.2 | P199 R203 | P199-T201 PolarHBondContact O-N 2.9Å; T201-R203 PolarHBondContact O-N 2.98Å | ||
| 202 | S | 39.8 | Very low | 40.2 | Very low | 94 Ų | 94 | 136.2 Ų | 136.2 | 66% | 0.657 | 78% | 0.778 | S | S | * | * | trans | -53.7 | 129.6 | 176 | -52.4 | 0 | 0 | 0 | 0 | 109 | Q200 L204 | Q200-S202 PolarHBondContact O-N 3.4Å; Q200-S202 PolarHBondContact O-OG 3.35Å; S202-L204 VanDerWaalsContact C-N 3.34Å; S202-L204 PolarHBondContact O-N 3.19Å | ||
| 203 | R | 35.1 | Very low | 40.1 | Very low | 248 Ų | 248 | 139.4 Ų | 139.4 | 94% | 0.936 | 79% | 0.79 | S | S | * | * | trans | -55.7 | 99.5 | 162.2 | -72.2 | -178.2 | 163.5 | -162.8 | -3.7 | 107.9 | T201 G205 | T201-R203 PolarHBondContact O-N 2.98Å; R203-G205 VanDerWaalsContact C-N 3.27Å; R203-G205 PolarHBondContact O-N 3.44Å; R203-G205 VanDerWaalsContact O-N 3.09Å | ||
| 204 | L | 39.2 | Very low | 40.1 | Very low | 156 Ų | 156 | 139.9 Ų | 139.9 | 82% | 0.817 | 79% | 0.786 | S | S | * | * | trans | -76.5 | 87.3 | 162.9 | -103.8 | 144.3 | 0 | 0 | 0 | 107.2 | S202 | S202-L204 VanDerWaalsContact C-N 3.34Å; S202-L204 PolarHBondContact O-N 3.19Å | ||
| 205 | G | 32.2 | Very low | 39.7 | Very low | 69 Ų | 69 | 139.1 Ų | 139.1 | 71% | 0.711 | 78% | 0.783 | S | S | * | * | trans | -89.3 | 116.3 | 149.4 | 0 | 0 | 0 | 0 | 0 | 106.9 | R203 | R203-G205 VanDerWaalsContact C-N 3.27Å; R203-G205 PolarHBondContact O-N 3.44Å; R203-G205 VanDerWaalsContact O-N 3.09Å | ||
| 206 | E | 39.3 | Very low | 39.9 | Very low | 179 Ų | 179 | 140.3 Ų | 140.3 | 84% | 0.836 | 78% | 0.781 | S | S | * | * | trans | -144.1 | 134.6 | 154.4 | -115.4 | 172.8 | 136.4 | 0 | 0 | 109.6 | ||||
| 207 | A | 33.6 | Very low | 39.5 | Very low | 104 Ų | 104 | 138.1 Ų | 138.1 | 86% | 0.86 | 78% | 0.777 | S | S | * | * | trans | -60.5 | 138.8 | -168.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 208 | A | 39.3 | Very low | 39.5 | Very low | 96 Ų | 96 | 137.4 Ų | 137.4 | 79% | 0.793 | 77% | 0.773 | S | S | * | * | trans | -156.3 | 113.7 | 146.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 209 | S | 39.3 | Very low | 39.1 | Very low | 117 Ų | 117 | 137 Ų | 137 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | trans | 81 | 95 | 142.6 | -141.1 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 210 | S | 36.9 | Very low | 39 | Very low | 106 Ų | 106 | 140.8 Ų | 140.8 | 74% | 0.741 | 78% | 0.776 | S | S | * | * | trans | -9.9 | 123.4 | 139.1 | -49 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 211 | K | 43.8 | Very low | 39.2 | Very low | 192 Ų | 192 | 138.8 Ų | 138.8 | 84% | 0.835 | 78% | 0.781 | S | S | * | * | 178.5 | 116.5 | 115.8 | -96.9 | 169.7 | -178.6 | -176.3 | 0 | 111.8 | |||||
| 212 | Q | 37.1 | Very low | 39.3 | Very low | 176 Ų | 176 | 138.2 Ų | 138.2 | 82% | 0.822 | 77% | 0.768 | S | S | * | * | trans | 33.2 | 118.8 | 140.5 | -69.2 | -178.6 | -49.1 | 0 | 0 | 119.1 | ||||
| 213 | L | 45 | Very low | 39.5 | Very low | 186 Ų | 186 | 145.4 Ų | 145.4 | 97% | 0.974 | 78% | 0.781 | S | S | * | * | -146.3 | 112.6 | 124.9 | -92.2 | 174.6 | 0 | 0 | 0 | 108.6 | |||||
| 214 | N | 39.9 | Very low | 39.9 | Very low | 130 Ų | 130 | 138.4 Ų | 138.4 | 70% | 0.695 | 77% | 0.77 | S | S | * | * | trans | -110.2 | 132.3 | -177.6 | -152.4 | 24.4 | 0 | 0 | 0 | 107.8 | ||||
| 215 | N | 35.8 | Very low | 40 | Very low | 118 Ų | 118 | 135.9 Ų | 135.9 | 63% | 0.631 | 77% | 0.765 | S | S | * | * | trans | 60.8 | 138.2 | 139.2 | -69.8 | -6.1 | 0 | 0 | 0 | 123.8 | ||||
| 216 | N | 38.7 | Very low | 40.5 | Very low | 131 Ų | 131 | 142 Ų | 142 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | trans | 77.9 | 146.4 | 138.7 | -72.8 | 17.2 | 0 | 0 | 0 | 117.1 | ||||
| 217 | D | 41.1 | Very low | 40.5 | Very low | 121 Ų | 121 | 145 Ų | 145 | 65% | 0.647 | 78% | 0.779 | S | S | * | * | cis | -172.8 | 133.4 | 10.3 | -115.3 | -46 | 0 | 0 | 0 | 105.4 | ||||
| 218 | T | 40.6 | Very low | 41 | Very low | 117 Ų | 117 | 145.8 Ų | 145.8 | 72% | 0.718 | 78% | 0.778 | S | S | * | * | 84.1 | 154.8 | 112.1 | -63.6 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 219 | P | 43.4 | Very low | 41.1 | Very low | 105 Ų | 105 | 146.6 Ų | 146.6 | 68% | 0.682 | 78% | 0.778 | S | S | * | * | cis | -142.4 | 179.1 | -48.9 | 43.1 | -25.1 | 0 | 0 | 0 | 115.3 | ||||
| 220 | R | 37.1 | Very low | 41 | Very low | 200 Ų | 200 | 152.7 Ų | 152.7 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | trans | 46.8 | 120 | 137.3 | -166.9 | 176.3 | -176.8 | 177 | -0.5 | 120.5 | E222 | R220-E222 HydrophobicContact CG-CG 4.35Å; R220-E222 IonicContact CZ-OE1 2.76Å; R220-E222 IonicContact NE-OE1 3.98Å; R220-E222 PolarHBondContact NE-OE1 2.94Å; R220-E222 IonicContact NH2-OE1 3.71Å; R220-E222 PolarHBondContact NH2-OE1 3.42Å | ||
| 221 | S | 46.2 | Very low | 41.5 | Very low | 128 Ų | 128 | 157.3 Ų | 157.3 | 90% | 0.895 | 79% | 0.79 | S | S | * | * | trans | -146.5 | 139.2 | 138.1 | -162.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 222 | E | 42.8 | Very low | 41.4 | Very low | 129 Ų | 129 | 153.8 Ų | 153.8 | 60% | 0.603 | 79% | 0.787 | S | S | * | * | trans | -92.4 | -178.8 | -163.3 | -64 | 171.5 | 134.5 | 0 | 0 | 113.6 | R220 | R220-E222 HydrophobicContact CG-CG 4.35Å; R220-E222 IonicContact CZ-OE1 2.76Å; R220-E222 IonicContact NE-OE1 3.98Å; R220-E222 PolarHBondContact NE-OE1 2.94Å; R220-E222 IonicContact NH2-OE1 3.71Å; R220-E222 PolarHBondContact NH2-OE1 3.42Å | ||
| 223 | R | 43.1 | Very low | 41.7 | Very low | 245 Ų | 245 | 151.4 Ų | 151.4 | 93% | 0.925 | 79% | 0.789 | S | S | * | * | trans | 89.7 | 135.3 | 164.2 | -73.3 | -179.9 | 172.5 | -142.7 | -2.1 | 115.8 | ||||
| 224 | S | 42.7 | Very low | 41.6 | Very low | 102 Ų | 102 | 148.3 Ų | 148.3 | 71% | 0.713 | 78% | 0.783 | S | S | * | * | cis | -161.4 | 138.3 | 8.4 | 173.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 225 | S | 41.4 | Very low | 41.9 | Very low | 102 Ų | 102 | 147.2 Ų | 147.2 | 71% | 0.713 | 79% | 0.793 | S | S | * | * | trans | 3.8 | 130.1 | 145.9 | -49.5 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 226 | Q | 42.7 | Very low | 42 | Very low | 198 Ų | 198 | 144.9 Ų | 144.9 | 93% | 0.925 | 80% | 0.797 | S | S | * | * | -173.4 | 132.2 | 103.8 | -98.4 | 177 | -8.9 | 0 | 0 | 113 | |||||
| 227 | R | 40 | Very low | 42.3 | Very low | 242 Ų | 242 | 145 Ų | 145 | 91% | 0.913 | 80% | 0.804 | S | S | * | * | trans | -73.9 | 147.3 | 173.8 | -70.7 | 164.2 | 135.7 | -122.7 | 1 | 111 | ||||
| 228 | S | 43.6 | Very low | 42.7 | Very low | 121 Ų | 121 | 145 Ų | 145 | 85% | 0.846 | 81% | 0.814 | S | S | * | * | trans | 163.1 | 149 | 137.2 | 51.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 229 | S | 41.9 | Very low | 42.9 | Very low | 113 Ų | 113 | 148 Ų | 148 | 79% | 0.79 | 82% | 0.819 | S | S | * | * | cis | -171.9 | 147.1 | -26.2 | -164.4 | 0 | 0 | 0 | 0 | 103 | ||||
| 230 | W | 36.8 | Very low | 43 | Very low | 244 Ų | 244 | 149.8 Ų | 149.8 | 92% | 0.924 | 82% | 0.824 | S | S | * | * | trans | -72.7 | 141.6 | -175.7 | -69.2 | 44.7 | 0 | 0 | 0 | 111.7 | ||||
| 231 | K | 48.3 | Very low | 43.4 | Very low | 203 Ų | 203 | 145.5 Ų | 145.5 | 88% | 0.883 | 82% | 0.82 | S | S | * | * | trans | -153.1 | 116.5 | 154.9 | -95.9 | -173.7 | 175.7 | -177 | 0 | 109.8 | ||||
| 232 | P | 41.9 | Very low | 43.3 | Very low | 119 Ų | 119 | 144.3 Ų | 144.3 | 77% | 0.773 | 81% | 0.811 | S | S | * | * | trans | -96.8 | 140 | 150.4 | 33.4 | -23.1 | 0 | 0 | 0 | 108.9 | ||||
| 233 | S | 43.9 | Very low | 43.3 | Very low | 125 Ų | 125 | 149.8 Ų | 149.8 | 87% | 0.874 | 83% | 0.827 | S | S | * | * | trans | -140.7 | 129.4 | 169.9 | -134.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 234 | S | 42.9 | Very low | 43.3 | Very low | 121 Ų | 121 | 143.8 Ų | 143.8 | 85% | 0.846 | 82% | 0.817 | S | S | * | * | trans | -67.9 | 152.6 | -177.3 | -63.9 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 235 | A | 44.4 | Very low | 43.9 | Very low | 108 Ų | 108 | 145.7 Ų | 145.7 | 89% | 0.893 | 82% | 0.817 | S | S | * | * | trans | 168.2 | 133.7 | 137.6 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 236 | G | 39 | Very low | 44.4 | Very low | 69 Ų | 69 | 147.7 Ų | 147.7 | 71% | 0.711 | 82% | 0.82 | S | S | * | * | cis | -166.9 | -171.8 | 9.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 237 | P | 44.6 | Very low | 44.8 | Very low | 133 Ų | 133 | 147.2 Ų | 147.2 | 86% | 0.864 | 82% | 0.815 | S | S | * | * | trans | -94.8 | 155.3 | -167.5 | 36.3 | -31.2 | 0 | 0 | 0 | 113.2 | ||||
| 238 | S | 50 | Low | 45.9 | Very low | 120 Ų | 120 | 141.2 Ų | 141.2 | 84% | 0.839 | 81% | 0.808 | S | S | * | * | trans | -149 | 123.2 | 153.7 | 71.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 239 | E | 45.4 | Very low | 46.1 | Very low | 180 Ų | 180 | 142.9 Ų | 142.9 | 84% | 0.841 | 81% | 0.807 | S | S | * | * | trans | -61.3 | 143.8 | 175.5 | -59.1 | 157 | 121.1 | 0 | 0 | 111.9 | ||||
| 240 | N | 44.4 | Very low | 46.7 | Very low | 144 Ų | 144 | 146 Ų | 146 | 77% | 0.77 | 81% | 0.811 | S | S | * | * | -176.3 | 117.7 | 121.8 | -112.3 | -20.2 | 0 | 0 | 0 | 114.2 | |||||
| 241 | T | 44.9 | Very low | 47.1 | Very low | 109 Ų | 109 | 138.6 Ų | 138.6 | 67% | 0.669 | 80% | 0.796 | S | S | * | * | trans | 53.6 | 114.2 | 134 | 45 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 242 | S | 44 | Very low | 47.4 | Very low | 103 Ų | 103 | 134 Ų | 134 | 72% | 0.72 | 79% | 0.79 | S | S | * | * | 72.5 | 107.2 | 116.5 | -46.3 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 243 | R | 42.9 | Very low | 48.1 | Very low | 245 Ų | 245 | 135.6 Ų | 135.6 | 93% | 0.925 | 79% | 0.792 | S | S | * | * | -171.1 | 107.4 | 115.8 | -100.1 | 167.7 | -173 | -158.6 | 1.8 | 110.6 | |||||
| 244 | V | 42.9 | Very low | 48.7 | Very low | 118 Ų | 118 | 142.5 Ų | 142.5 | 72% | 0.715 | 81% | 0.81 | S | S | * | * | trans | -72.3 | 133.9 | 165.4 | 172.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 245 | I | 55.5 | Low | 49 | Very low | 142 Ų | 142 | 143.6 Ų | 143.6 | 73% | 0.728 | 81% | 0.808 | S | S | * | * | trans | -123.5 | 103.8 | 160.1 | -60 | 177.6 | 0 | 0 | 0 | 106.3 | F247 | I245-F247 HydrophobicContact CG2-CD2 4.04Å; I245-F247 HydrophobicContact CG2-CE2 3.7Å; I245-F247 HydrophobicContact CG2-CZ 4.44Å | ||
| 246 | N | 52 | Low | 49.2 | Very low | 145 Ų | 145 | 145.5 Ų | 145.5 | 78% | 0.775 | 80% | 0.803 | S | S | * | * | trans | -80.7 | 135.3 | 166 | -78.2 | -20.4 | 0 | 0 | 0 | 108.5 | ||||
| 247 | F | 52.2 | Low | 49.8 | Very low | 187 Ų | 187 | 149.7 Ų | 149.7 | 82% | 0.82 | 81% | 0.808 | S | S | * | * | trans | -107.8 | 135.1 | 160 | -84.3 | -84.4 | 0 | 0 | 0 | 108.8 | I245 | I245-F247 HydrophobicContact CG2-CD2 4.04Å; I245-F247 HydrophobicContact CG2-CE2 3.7Å; I245-F247 HydrophobicContact CG2-CZ 4.44Å | ||
| 248 | P | 62.3 | Low | 50.1 | Low | 117 Ų | 117 | 150.7 Ų | 150.7 | 76% | 0.76 | 81% | 0.805 | S | S | * | * | trans | -75.7 | 136.3 | -173.8 | 29.3 | -31.9 | 0 | 0 | 0 | 111.8 | ||||
| 249 | L | 47.7 | Very low | 50.1 | Low | 156 Ų | 156 | 152.6 Ų | 152.6 | 82% | 0.817 | 80% | 0.803 | S | S | * | * | trans | -63.1 | 132.4 | 156.2 | -94.1 | 92.5 | 0 | 0 | 0 | 108.9 | ||||
| 250 | M | 54.1 | Low | 50.4 | Low | 179 Ų | 179 | 150.8 Ų | 150.8 | 88% | 0.882 | 80% | 0.8 | S | S | * | * | trans | -111.3 | 113.2 | 150.2 | -72.4 | -139.1 | 74.6 | 0 | 0 | 108 | ||||
| 251 | S | 46.1 | Very low | 50.8 | Low | 88 Ų | 88 | 151.3 Ų | 151.3 | 62% | 0.615 | 80% | 0.803 | S | S | * | * | trans | -112.6 | 170.5 | 159.5 | -61.9 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 252 | S | 54.1 | Low | 51.3 | Low | 107 Ų | 107 | 154.5 Ų | 154.5 | 75% | 0.748 | 81% | 0.813 | S | S | * | * | trans | 99.1 | 93 | -175.5 | -53.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 253 | D | 56.1 | Low | 51.9 | Low | 152 Ų | 152 | 158.8 Ų | 158.8 | 81% | 0.813 | 82% | 0.821 | S | S | * | * | 70.4 | 98.4 | 80.5 | -75.4 | -49.6 | 0 | 0 | 0 | 112.1 | |||||
| 254 | H | 56.7 | Low | 52.7 | Low | 270 Ų | 270 | 151 Ų | 151 | 100% | 1.25 | 81% | 0.811 | S | S | * | * | trans | -165.7 | 0 | 131.4 | -105.5 | -63.4 | 0 | 0 | 0 | 110.2 |
Retrieved 254 of 254 residues in 55.1 ms
(Link to these results)