| 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 | 74.3 | Confident | 94.2 | Very high | 196 Ų | 196 | 70.4 Ų | 70.4 | 97% | 0.966 | 34% | 0.344 | S | S | * | . | 0 | -50.1 | 0 | -163.8 | 177.1 | -73.7 | 0 | 0 | 111.1 | E3 I4 L5 | M1-E3 VanDerWaalsContact C-N 3.35Å; M1-E3 PolarHBondContact O-N 3Å; M1-I4 PolarHBondContact O-N 3.36Å; M1-L5 PolarHBondContact O-N 3.07Å; M1-L5 VanDerWaalsContact O-N 3.16Å | |||
| 2 | Y | 92.2 | Very high | 94.3 | Very high | 181 Ų | 181 | 75.6 Ų | 75.6 | 71% | 0.71 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -55.8 | -41.9 | 177 | -62.6 | -70.6 | 0 | 0 | 0 | 114.3 | I4 L5 N6 | Y2-I4 PolarHBondContact O-N 3.42Å; Y2-L5 WeakPolarHBondContact O-CB 3.45Å; Y2-L5 PolarHBondContact O-N 3.35Å; Y2-N6 PolarHBondContact O-N 3.16Å |
| 3 | E | 95.2 | Very high | 94.5 | Very high | 52 Ų | 52 | 73.7 Ų | 73.7 | 24% | 0.243 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -54.7 | -50.3 | 177.8 | -57.1 | -45.9 | 134.4 | 0 | 0 | 113.6 | M1 L5 N6 C7 H148 L152 | M1-E3 VanDerWaalsContact C-N 3.35Å; M1-E3 PolarHBondContact O-N 3Å; E3-L5 VanDerWaalsContact C-N 3.34Å; E3-L5 PolarHBondContact O-N 3.31Å; E3-N6 PolarHBondContact O-N 3.12Å; E3-C7 PolarHBondContact O-N 3.19Å; E3-C7 VanDerWaalsContact O-N 3.1Å; E3-C7 PolarHBondContact O-SG 3.34Å; E3-H148 HydrophobicContact CB-CB 4.13Å; E3-H148 WeakPolarHBondContact CB-O 3.08Å; E3-H148 WeakPolarHBondContact OE2-CA 3.46Å; E3-H148 VanDerWaalsContact OE2-CB 3.27Å; E3-H148 WeakPolarHBondContact OE2-CB 3.36Å; E3-H148 IonicContact OE2-CE1 2.89Å; E3-H148 IonicContact OE2-CG 2.69Å; E3-H148 VanDerWaalsContact OE2-CG 3.27Å; E3-H148 IonicContact OE2-ND1 3.68Å; E3-H148 PolarHBondContact OE2-ND1 2.8Å; E3-L152 HydrophobicContact CB-CD1 3.96Å; E3-L152 HydrophobicContact CB-CG 4.44Å; E3-L152 HydrophobicContact CG-CD2 4.36Å |
| 4 | I | 95.7 | Very high | 94.5 | Very high | 82 Ų | 82 | 69.1 Ų | 69.1 | 42% | 0.421 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -66.1 | -40.5 | 179 | -62.5 | 176.8 | 0 | 0 | 0 | 110.2 | M1 Y2 N6 C7 I8 L152 F166 | M1-I4 PolarHBondContact O-N 3.36Å; Y2-I4 PolarHBondContact O-N 3.42Å; I4-N6 VanDerWaalsContact C-N 3.33Å; I4-N6 PolarHBondContact O-N 3.22Å; I4-C7 WeakPolarHBondContact O-CB 3.3Å; I4-C7 PolarHBondContact O-N 2.94Å; I4-I8 HydrophobicContact CG2-CD1 4.1Å; I4-I8 WeakPolarHBondContact O-CG1 3.45Å; I4-I8 PolarHBondContact O-N 3.3Å; I4-L152 HydrophobicContact CD1-CD1 4.28Å; I4-L152 HydrophobicContact CG1-CD1 3.82Å; I4-F166 HydrophobicContact CG2-CZ 4.38Å |
| 5 | L | 96.8 | Very high | 94.5 | Very high | 91 Ų | 91 | 66.3 Ų | 66.3 | 48% | 0.476 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60 | -43.7 | 176.5 | -179.3 | 63.6 | 0 | 0 | 0 | 111.4 | M1 Y2 E3 C7 I8 V9 | M1-L5 PolarHBondContact O-N 3.07Å; M1-L5 VanDerWaalsContact O-N 3.16Å; Y2-L5 WeakPolarHBondContact O-CB 3.45Å; Y2-L5 PolarHBondContact O-N 3.35Å; E3-L5 VanDerWaalsContact C-N 3.34Å; E3-L5 PolarHBondContact O-N 3.31Å; L5-C7 VanDerWaalsContact C-N 3.34Å; L5-C7 PolarHBondContact O-N 3.07Å; L5-I8 WeakPolarHBondContact O-CB 3.26Å; L5-I8 PolarHBondContact O-N 2.83Å; L5-V9 HydrophobicContact CD1-CG2 4.42Å; L5-V9 HydrophobicContact CG-CG2 4.47Å; L5-V9 VanDerWaalsContact O-CG2 3.32Å; L5-V9 WeakPolarHBondContact O-CG2 3.24Å; L5-V9 PolarHBondContact O-N 3.03Å |
| 6 | N | 97.3 | Very high | 94.3 | Very high | 19 Ų | 19 | 64.9 Ų | 64.9 | 10% | 0.102 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.3 | -43.2 | 175.7 | -72.1 | -22.1 | 0 | 0 | 0 | 111.5 | Y2 E3 I4 I8 V9 Y10 Y54 H148 | Y2-N6 PolarHBondContact O-N 3.16Å; E3-N6 PolarHBondContact O-N 3.12Å; I4-N6 VanDerWaalsContact C-N 3.33Å; I4-N6 PolarHBondContact O-N 3.22Å; N6-I8 VanDerWaalsContact C-N 3.33Å; N6-I8 PolarHBondContact O-N 2.97Å; N6-V9 PolarHBondContact O-N 2.8Å; N6-Y10 HydrophobicContact CB-CE2 4.37Å; N6-Y10 WeakPolarHBondContact O-CD2 3.38Å; N6-Y10 PolarHBondContact O-N 2.61Å; N6-Y54 PolarHBondContact ND2-OH 3.27Å; N6-H148 PolarHBondContact ND2-CE1 3.22Å; N6-H148 VanDerWaalsContact ND2-CE1 3.33Å |
| 7 | C | 97.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59.7 | -43.2 | 176.2 | -61.5 | 0 | 0 | 0 | 0 | 112.2 | E3 I4 L5 S11 V145 F166 | E3-C7 PolarHBondContact O-N 3.19Å; E3-C7 VanDerWaalsContact O-N 3.1Å; E3-C7 PolarHBondContact O-SG 3.34Å; I4-C7 WeakPolarHBondContact O-CB 3.3Å; I4-C7 PolarHBondContact O-N 2.94Å; L5-C7 VanDerWaalsContact C-N 3.34Å; L5-C7 PolarHBondContact O-N 3.07Å; C7-S11 WeakPolarHBondContact O-CB 3.47Å; C7-S11 PolarHBondContact O-N 3.26Å; C7-S11 VanDerWaalsContact O-N 3.1Å; C7-S11 PolarHBondContact O-OG 3.26Å; C7-V145 HydrophobicContact CB-CG1 4.11Å; C7-V145 HydrophobicContact CB-CG2 4.37Å; C7-F166 HydrophobicContact CB-CD1 3.98Å; C7-F166 HydrophobicContact CB-CD2 4.34Å; C7-F166 HydrophobicContact CB-CE1 3.52Å; C7-F166 HydrophobicContact CB-CE2 3.92Å; C7-F166 HydrophobicContact CB-CG 4.37Å; C7-F166 HydrophobicContact CB-CZ 3.48Å; C7-F166 VanDerWaalsContact CB-CZ 3.48Å |
| 8 | I | 96.7 | Very high | 94 | Very high | 69 Ų | 69 | 59.3 Ų | 59.3 | 35% | 0.354 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61.7 | -50.4 | 175 | -67.2 | 171 | 0 | 0 | 0 | 109.7 | I4 L5 N6 Y10 S11 F12 F166 | I4-I8 HydrophobicContact CG2-CD1 4.1Å; I4-I8 WeakPolarHBondContact O-CG1 3.45Å; I4-I8 PolarHBondContact O-N 3.3Å; L5-I8 WeakPolarHBondContact O-CB 3.26Å; L5-I8 PolarHBondContact O-N 2.83Å; N6-I8 VanDerWaalsContact C-N 3.33Å; N6-I8 PolarHBondContact O-N 2.97Å; I8-Y10 PolarHBondContact O-N 2.82Å; I8-S11 PolarHBondContact O-N 3.3Å; I8-F12 HydrophobicContact CG2-CD2 3.53Å; I8-F12 HydrophobicContact CG2-CE2 3.71Å; I8-F12 WeakPolarHBondContact O-CD2 3.36Å; I8-F12 PolarHBondContact O-N 3.44Å; I8-F166 HydrophobicContact CG1-CE1 3.76Å; I8-F166 HydrophobicContact CG1-CZ 4.34Å |
| 9 | V | 97.2 | Very high | 93.6 | Very high | 72 Ų | 72 | 60.3 Ų | 60.3 | 44% | 0.436 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -58 | -45.7 | -179.3 | 169.3 | 0 | 0 | 0 | 0 | 111.4 | L5 N6 S11 F12 L13 | L5-V9 HydrophobicContact CD1-CG2 4.42Å; L5-V9 HydrophobicContact CG-CG2 4.47Å; L5-V9 VanDerWaalsContact O-CG2 3.32Å; L5-V9 WeakPolarHBondContact O-CG2 3.24Å; L5-V9 PolarHBondContact O-N 3.03Å; N6-V9 PolarHBondContact O-N 2.8Å; V9-S11 PolarHBondContact O-N 3.28Å; V9-F12 PolarHBondContact O-N 2.96Å; V9-L13 WeakPolarHBondContact O-CB 3.49Å; V9-L13 PolarHBondContact O-N 2.94Å |
| 10 | Y | 97.2 | Very high | 93.2 | Very high | 4 Ų | 4 | 66.2 Ų | 66.2 | 2% | 0.016 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63.2 | -43.6 | 178.3 | -59.7 | -21.2 | 0 | 0 | 0 | 112.3 | N6 I8 L13 F14 H50 V51 C144 V145 H148 | N6-Y10 HydrophobicContact CB-CE2 4.37Å; N6-Y10 WeakPolarHBondContact O-CD2 3.38Å; N6-Y10 PolarHBondContact O-N 2.61Å; I8-Y10 PolarHBondContact O-N 2.82Å; Y10-L13 PolarHBondContact O-N 2.79Å; Y10-F14 WeakPolarHBondContact O-CB 3.29Å; Y10-F14 PolarHBondContact O-N 3.21Å; Y10-H50 HydrophobicContact CE1-CB 4.42Å; Y10-H50 AromaticContact CE1-ND1 3.55Å; Y10-H50 AromaticContact CZ-ND1 3.57Å; Y10-H50 PolarHBondContact OH-ND1 3.34Å; Y10-V51 HydrophobicContact CE2-CG2 3.69Å; Y10-V51 VanDerWaalsContact OH-CG2 3.23Å; Y10-V51 WeakPolarHBondContact OH-CG2 3.13Å; Y10-C144 HydrophobicContact CD2-CB 3.73Å; Y10-C144 HydrophobicContact CE2-CB 3.74Å; Y10-V145 HydrophobicContact CD2-CG2 4.3Å; Y10-H148 AromaticContact CE2-CD2 3.39Å; Y10-H148 WeakPolarHBondContact CE2-CD2 3.44Å; Y10-H148 AromaticContact CE2-NE2 3.41Å; Y10-H148 WeakPolarHBondContact CE2-NE2 3.27Å; Y10-H148 AromaticContact CZ-CD2 3.98Å; Y10-H148 AromaticContact CZ-NE2 3.52Å; Y10-H148 PolarHBondContact OH-NE2 3.04Å |
| 11 | S | 96.2 | Very high | 92.8 | Very high | 8 Ų | 8 | 63.4 Ų | 63.4 | 6% | 0.056 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61.7 | -47.6 | 178.5 | -54.9 | 0 | 0 | 0 | 0 | 110.8 | C7 I8 V9 F14 I15 | C7-S11 WeakPolarHBondContact O-CB 3.47Å; C7-S11 PolarHBondContact O-N 3.26Å; C7-S11 VanDerWaalsContact O-N 3.1Å; C7-S11 PolarHBondContact O-OG 3.26Å; I8-S11 PolarHBondContact O-N 3.3Å; V9-S11 PolarHBondContact O-N 3.28Å; S11-F14 PolarHBondContact O-N 3.46Å; S11-I15 WeakPolarHBondContact O-CD1 3.47Å; S11-I15 VanDerWaalsContact O-CG1 3.23Å; S11-I15 WeakPolarHBondContact O-CG1 3.08Å; S11-I15 PolarHBondContact O-N 3.04Å; S11-I15 VanDerWaalsContact O-N 3.1Å |
| 12 | F | 95.8 | Very high | 92.9 | Very high | 133 Ų | 133 | 55.4 Ų | 55.4 | 58% | 0.583 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -66 | -41.2 | 177.5 | -89.9 | -80.7 | 0 | 0 | 0 | 112.8 | I8 V9 F14 I15 S16 | I8-F12 HydrophobicContact CG2-CD2 3.53Å; I8-F12 HydrophobicContact CG2-CE2 3.71Å; I8-F12 WeakPolarHBondContact O-CD2 3.36Å; I8-F12 PolarHBondContact O-N 3.44Å; V9-F12 PolarHBondContact O-N 2.96Å; F12-F14 VanDerWaalsContact C-N 3.33Å; F12-F14 PolarHBondContact O-N 3.45Å; F12-I15 PolarHBondContact O-N 3.28Å; F12-S16 WeakPolarHBondContact O-CB 3.23Å; F12-S16 PolarHBondContact O-N 3.35Å; F12-S16 PolarHBondContact O-OG 3.45Å |
| 13 | L | 96.5 | Very high | 92.2 | Very high | 51 Ų | 51 | 48.3 Ų | 48.3 | 27% | 0.267 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -61.4 | -44.9 | 178.2 | -179.6 | 62.5 | 0 | 0 | 0 | 110.7 | V9 Y10 S16 G17 T43 I46 | V9-L13 WeakPolarHBondContact O-CB 3.49Å; V9-L13 PolarHBondContact O-N 2.94Å; Y10-L13 PolarHBondContact O-N 2.79Å; L13-S16 PolarHBondContact O-N 2.96Å; L13-G17 PolarHBondContact O-N 3Å; L13-T43 HydrophobicContact CD1-CG2 4.13Å; L13-T43 HydrophobicContact CG-CG2 4.06Å; L13-T43 WeakPolarHBondContact O-CG2 3.5Å; L13-I46 HydrophobicContact CD2-CB 3.99Å; L13-I46 HydrophobicContact CD2-CG2 3.65Å |
| 14 | F | 95.2 | Very high | 91.6 | Very high | 10 Ų | 10 | 55.9 Ų | 55.9 | 4% | 0.044 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.5 | -52.4 | 177 | -171.5 | -93.5 | 0 | 0 | 0 | 111.8 | Y10 S11 F12 S16 G17 L18 V40 A136 E137 I140 F141 | Y10-F14 WeakPolarHBondContact O-CB 3.29Å; Y10-F14 PolarHBondContact O-N 3.21Å; S11-F14 PolarHBondContact O-N 3.46Å; F12-F14 VanDerWaalsContact C-N 3.33Å; F12-F14 PolarHBondContact O-N 3.45Å; F14-S16 PolarHBondContact O-N 2.98Å; F14-G17 PolarHBondContact O-N 3.35Å; F14-L18 HydrophobicContact CD1-CD1 4.3Å; F14-L18 HydrophobicContact CE1-CD1 3.99Å; F14-L18 PolarHBondContact O-N 3.4Å; F14-V40 HydrophobicContact CE2-CG1 3.84Å; F14-V40 HydrophobicContact CE2-CG2 4.21Å; F14-V40 HydrophobicContact CZ-CG1 4.27Å; F14-V40 HydrophobicContact CZ-CG2 4.17Å; F14-A136 HydrophobicContact CE2-CB 4.35Å; F14-E137 HydrophobicContact CE1-CG 4.02Å; F14-E137 HydrophobicContact CZ-CG 3.61Å; F14-I140 HydrophobicContact CD2-CB 4.48Å; F14-I140 HydrophobicContact CD2-CG1 4.01Å; F14-I140 HydrophobicContact CE2-CG1 4.34Å; F14-F141 HydrophobicContact CD1-CE2 4.08Å; F14-F141 HydrophobicContact CD1-CZ 4.43Å; F14-F141 HydrophobicContact CE1-CE2 4.33Å; F14-F141 HydrophobicContact CG-CE2 4.4Å |
| 15 | I | 93.2 | Very high | 91.1 | Very high | 27 Ų | 27 | 56.2 Ų | 56.2 | 14% | 0.138 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.1 | -44.6 | -179.9 | -62.5 | 162.9 | 0 | 0 | 0 | 111.1 | S11 F12 G17 L18 Y19 A170 H173 | S11-I15 WeakPolarHBondContact O-CD1 3.47Å; S11-I15 VanDerWaalsContact O-CG1 3.23Å; S11-I15 WeakPolarHBondContact O-CG1 3.08Å; S11-I15 PolarHBondContact O-N 3.04Å; S11-I15 VanDerWaalsContact O-N 3.1Å; F12-I15 PolarHBondContact O-N 3.28Å; I15-G17 VanDerWaalsContact C-N 3.27Å; I15-G17 PolarHBondContact O-N 2.96Å; I15-L18 WeakPolarHBondContact O-CB 3.49Å; I15-L18 PolarHBondContact O-N 3.45Å; I15-L18 VanDerWaalsContact O-N 3.08Å; I15-Y19 HydrophobicContact CG2-CD2 3.9Å; I15-Y19 HydrophobicContact CG2-CE2 3.66Å; I15-Y19 WeakPolarHBondContact O-CD2 3.09Å; I15-Y19 PolarHBondContact O-N 2.95Å; I15-A170 HydrophobicContact CD1-CB 3.55Å; I15-A170 HydrophobicContact CG1-CB 3.98Å; I15-H173 HydrophobicContact CG2-CB 3.88Å |
| 16 | S | 92.7 | Very high | 90.5 | Very high | 43 Ų | 43 | 56.6 Ų | 56.6 | 30% | 0.301 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60.2 | -40.4 | -179.6 | -59.7 | 0 | 0 | 0 | 0 | 111.2 | F12 L13 F14 L18 Y19 F20 | F12-S16 WeakPolarHBondContact O-CB 3.23Å; F12-S16 PolarHBondContact O-N 3.35Å; F12-S16 PolarHBondContact O-OG 3.45Å; L13-S16 PolarHBondContact O-N 2.96Å; F14-S16 PolarHBondContact O-N 2.98Å; S16-L18 VanDerWaalsContact C-N 3.31Å; S16-L18 PolarHBondContact O-N 2.71Å; S16-Y19 PolarHBondContact O-N 3.01Å; S16-Y19 VanDerWaalsContact O-N 3.16Å; S16-F20 WeakPolarHBondContact O-CD2 3.4Å; S16-F20 PolarHBondContact O-N 2.77Å |
| 17 | G | 92.4 | Very high | 89.9 | Confident | 6 Ų | 6 | 60.7 Ų | 60.7 | 6% | 0.062 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -54.5 | -46.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L13 F14 I15 Y19 F20 A21 S39 | L13-G17 PolarHBondContact O-N 3Å; F14-G17 PolarHBondContact O-N 3.35Å; I15-G17 VanDerWaalsContact C-N 3.27Å; I15-G17 PolarHBondContact O-N 2.96Å; G17-Y19 VanDerWaalsContact C-N 3.29Å; G17-Y19 PolarHBondContact O-N 3.4Å; G17-F20 PolarHBondContact O-N 2.89Å; G17-A21 WeakPolarHBondContact O-CB 3.38Å; G17-A21 PolarHBondContact O-N 2.93Å; G17-S39 WeakPolarHBondContact CA-OG 3.46Å; G17-S39 PolarHBondContact O-OG 2.93Å |
| 18 | L | 89.3 | Confident | 89.4 | Confident | 24 Ų | 24 | 64.6 Ų | 64.6 | 13% | 0.126 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -61.2 | -35.5 | 178.8 | -64 | 175.2 | 0 | 0 | 0 | 113.1 | F14 I15 S16 G22 R36 V40 | F14-L18 HydrophobicContact CD1-CD1 4.3Å; F14-L18 HydrophobicContact CE1-CD1 3.99Å; F14-L18 PolarHBondContact O-N 3.4Å; I15-L18 WeakPolarHBondContact O-CB 3.49Å; I15-L18 PolarHBondContact O-N 3.45Å; I15-L18 VanDerWaalsContact O-N 3.08Å; S16-L18 VanDerWaalsContact C-N 3.31Å; S16-L18 PolarHBondContact O-N 2.71Å; L18-G22 PolarHBondContact O-N 3.47Å; L18-R36 HydrophobicContact CD2-CB 4.17Å; L18-R36 HydrophobicContact CD2-CG 4.25Å; L18-V40 HydrophobicContact CD2-CG2 3.51Å; L18-V40 HydrophobicContact CG-CG2 4.44Å |
| 19 | Y | 86.5 | Confident | 89.1 | Confident | 78 Ų | 78 | 64.5 Ų | 64.5 | 31% | 0.306 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -71.2 | -48.5 | 175.9 | -82.2 | -75.4 | 0 | 0 | 0 | 112.7 | I15 S16 G17 A21 G22 H173 F176 | I15-Y19 HydrophobicContact CG2-CD2 3.9Å; I15-Y19 HydrophobicContact CG2-CE2 3.66Å; I15-Y19 WeakPolarHBondContact O-CD2 3.09Å; I15-Y19 PolarHBondContact O-N 2.95Å; S16-Y19 PolarHBondContact O-N 3.01Å; S16-Y19 VanDerWaalsContact O-N 3.16Å; G17-Y19 VanDerWaalsContact C-N 3.29Å; G17-Y19 PolarHBondContact O-N 3.4Å; Y19-A21 VanDerWaalsContact C-N 3.27Å; Y19-A21 PolarHBondContact O-N 2.82Å; Y19-G22 WeakPolarHBondContact O-CA 3.39Å; Y19-G22 PolarHBondContact O-N 3.16Å; Y19-H173 HydrophobicContact CE2-CB 3.88Å; Y19-H173 WeakPolarHBondContact OH-CB 3.41Å; Y19-H173 PolarHBondContact OH-O 3.45Å; Y19-F176 AromaticContact CE1-CD1 3.56Å; Y19-F176 HydrophobicContact CE1-CD1 3.56Å; Y19-F176 AromaticContact CE1-CE1 3.9Å; Y19-F176 HydrophobicContact CE1-CE1 3.9Å; Y19-F176 HydrophobicContact CE1-CG 4.43Å |
| 20 | F | 87.1 | Confident | 88.8 | Confident | 178 Ų | 178 | 63.9 Ų | 63.9 | 78% | 0.781 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -67.7 | -29.8 | 179.9 | -73 | -64 | 0 | 0 | 0 | 112.6 | S16 G17 G22 | S16-F20 WeakPolarHBondContact O-CD2 3.4Å; S16-F20 PolarHBondContact O-N 2.77Å; G17-F20 PolarHBondContact O-N 2.89Å; F20-G22 PolarHBondContact O-N 3.47Å |
| 21 | A | 84.5 | Confident | 88.6 | Confident | 8 Ų | 8 | 67.9 Ų | 67.9 | 7% | 0.066 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | G17 Y19 R35 R36 S39 | G17-A21 WeakPolarHBondContact O-CB 3.38Å; G17-A21 PolarHBondContact O-N 2.93Å; Y19-A21 VanDerWaalsContact C-N 3.27Å; Y19-A21 PolarHBondContact O-N 2.82Å; A21-R35 HydrophobicContact CB-CB 4.46Å; A21-R35 WeakPolarHBondContact O-CB 3.16Å; A21-R35 PolarHBondContact O-NE 2.89Å; A21-R36 HydrophobicContact CB-CB 4.47Å; A21-R36 HydrophobicContact CB-CG 3.97Å; A21-S39 VanDerWaalsContact CB-CB 3.49Å |
| 22 | G | 74.8 | Confident | 88.4 | Confident | 27 Ų | 27 | 67.7 Ų | 67.7 | 28% | 0.278 | 34% | 0.343 | S | S | . | . | trans | -57.8 | 146.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L18 Y19 F20 R35 | L18-G22 PolarHBondContact O-N 3.47Å; Y19-G22 WeakPolarHBondContact O-CA 3.39Å; Y19-G22 PolarHBondContact O-N 3.16Å; F20-G22 PolarHBondContact O-N 3.47Å; G22-R35 VanDerWaalsContact O-CZ 3.28Å; G22-R35 PolarHBondContact O-NH1 3.31Å; G22-R35 PolarHBondContact O-NH2 3.33Å | ||
| 23 | G | 78.4 | Confident | 88.2 | Confident | 33 Ų | 33 | 61.4 Ų | 61.4 | 34% | 0.34 | 32% | 0.315 | S | S | . | . | trans | -123.9 | -167.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113 | F25 R35 | G23-F25 VanDerWaalsContact C-N 3.26Å; G23-R35 VanDerWaalsContact CA-NH1 3.31Å | ||
| 24 | K | 82.7 | Confident | 88.1 | Confident | 211 Ų | 211 | 63.8 Ų | 63.8 | 92% | 0.917 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -73.6 | -22.5 | 172.3 | -65.3 | -176.8 | 179.6 | -180 | 0 | 112.3 | ||
| 25 | F | 85.7 | Confident | 88 | Confident | 89 Ų | 89 | 68.1 Ų | 68.1 | 39% | 0.39 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -88.4 | 155.3 | -176.2 | -60.5 | -74 | 0 | 0 | 0 | 112.4 | G23 H29 E31 T32 | G23-F25 VanDerWaalsContact C-N 3.26Å; F25-H29 HydrophobicContact CB-CB 3.48Å; F25-H29 VanDerWaalsContact CB-CB 3.48Å; F25-H29 AromaticContact CD1-CD2 3.97Å; F25-H29 AromaticContact CD1-CE1 3.86Å; F25-H29 AromaticContact CD1-ND1 3.94Å; F25-H29 AromaticContact CD1-NE2 3.9Å; F25-H29 AromaticContact CD2-CE1 3.87Å; F25-H29 AromaticContact CD2-ND1 3.65Å; F25-H29 HydrophobicContact CG-CB 4.25Å; F25-H29 AromaticContact CG-CE1 3.76Å; F25-H29 AromaticContact CG-CG 3.72Å; F25-H29 AromaticContact CG-ND1 3.45Å; F25-H29 WeakPolarHBondContact CG-ND1 3.43Å; F25-E31 HydrophobicContact CD2-CB 4.28Å; F25-E31 WeakPolarHBondContact CE2-OE2 3.49Å; F25-T32 PolarHBondContact O-OG1 3.5Å |
| 26 | P | 84.6 | Confident | 88.1 | Confident | 98 Ų | 98 | 68.5 Ų | 68.5 | 64% | 0.636 | 34% | 0.339 | S | S | * | . | trans | -54.3 | 161.4 | 171.4 | -24.8 | 34.4 | 0 | 0 | 0 | 113.1 | D28 H29 T32 | P26-D28 VanDerWaalsContact C-N 3.27Å; P26-D28 PolarHBondContact O-N 3.36Å; P26-H29 VanDerWaalsContact O-CB 3.3Å; P26-H29 WeakPolarHBondContact O-CB 3.4Å; P26-H29 PolarHBondContact O-N 2.91Å; P26-H29 VanDerWaalsContact O-N 3.07Å; P26-T32 WeakPolarHBondContact O-CB 3.45Å; P26-T32 PolarHBondContact O-OG1 2.98Å; P26-T32 VanDerWaalsContact O-OG1 3.12Å | ||
| 27 | R | 84.1 | Confident | 88.1 | Confident | 106 Ų | 106 | 67.4 Ų | 67.4 | 40% | 0.4 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | -41.6 | -178 | 172.2 | 178.9 | 173.4 | 179.7 | 0.2 | 113.6 | H29 H174 | R27-H29 VanDerWaalsContact C-N 3.31Å; R27-H174 PolarHBondContact NH1-CE1 3.34Å |
| 28 | D | 87.3 | Confident | 88.3 | Confident | 82 Ų | 82 | 71.6 Ų | 71.6 | 44% | 0.439 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | 1.3 | -175.4 | -64.3 | -41.6 | 0 | 0 | 0 | 113.7 | P26 I33 I125 R128 | P26-D28 VanDerWaalsContact C-N 3.27Å; P26-D28 PolarHBondContact O-N 3.36Å; D28-I33 WeakPolarHBondContact O-CD1 3.19Å; D28-I125 HydrophobicContact CB-CD1 4.05Å; D28-I125 HydrophobicContact CB-CG1 4.35Å; D28-R128 IonicContact OD1-CZ 3.78Å; D28-R128 VanDerWaalsContact OD1-CZ 3.29Å; D28-R128 IonicContact OD1-NH1 2.71Å; D28-R128 PolarHBondContact OD1-NH1 3.39Å; D28-R128 IonicContact OD1-NH2 3.69Å; D28-R128 PolarHBondContact OD1-NH2 3.1Å |
| 29 | H | 89.8 | Confident | 88.6 | Confident | 67 Ų | 67 | 71.4 Ų | 71.4 | 31% | 0.31 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -68.5 | 134.5 | 173.2 | -169.6 | -97.4 | 0 | 0 | 0 | 110.5 | F25 P26 R27 E31 T32 I33 | F25-H29 HydrophobicContact CB-CB 3.48Å; F25-H29 VanDerWaalsContact CB-CB 3.48Å; F25-H29 AromaticContact CD1-CD2 3.97Å; F25-H29 AromaticContact CD1-CE1 3.86Å; F25-H29 AromaticContact CD1-ND1 3.94Å; F25-H29 AromaticContact CD1-NE2 3.9Å; F25-H29 AromaticContact CD2-CE1 3.87Å; F25-H29 AromaticContact CD2-ND1 3.65Å; F25-H29 HydrophobicContact CG-CB 4.25Å; F25-H29 AromaticContact CG-CE1 3.76Å; F25-H29 AromaticContact CG-CG 3.72Å; F25-H29 AromaticContact CG-ND1 3.45Å; F25-H29 WeakPolarHBondContact CG-ND1 3.43Å; P26-H29 VanDerWaalsContact O-CB 3.3Å; P26-H29 WeakPolarHBondContact O-CB 3.4Å; P26-H29 PolarHBondContact O-N 2.91Å; P26-H29 VanDerWaalsContact O-N 3.07Å; R27-H29 VanDerWaalsContact C-N 3.31Å; H29-E31 WeakPolarHBondContact ND1-CB 3.5Å; H29-E31 PolarHBondContact ND1-N 3.36Å; H29-E31 PolarHBondContact O-N 3.2Å; H29-T32 PolarHBondContact O-N 3.48Å; H29-I33 WeakPolarHBondContact O-CG1 3.34Å; H29-I33 PolarHBondContact O-N 3.06Å |
| 30 | P | 91.4 | Very high | 89 | Confident | 58 Ų | 58 | 68.3 Ų | 68.3 | 38% | 0.377 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -53.3 | -34.9 | -176.1 | -29.8 | 35.6 | 0 | 0 | 0 | 114.6 | I33 K34 W124 | P30-I33 PolarHBondContact O-N 3.41Å; P30-K34 VanDerWaalsContact O-CG 3.29Å; P30-K34 WeakPolarHBondContact O-CG 3.48Å; P30-K34 PolarHBondContact O-N 2.92Å; P30-W124 HydrophobicContact CB-CB 4.48Å; P30-W124 HydrophobicContact CB-CG 4.27Å |
| 31 | E | 92 | Very high | 89.3 | Confident | 89 Ų | 89 | 65.4 Ų | 65.4 | 42% | 0.416 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -66.8 | -44.8 | 176.8 | -168.9 | -177.4 | 144.3 | 0 | 0 | 112.5 | F25 H29 I33 K34 R35 | F25-E31 HydrophobicContact CD2-CB 4.28Å; F25-E31 WeakPolarHBondContact CE2-OE2 3.49Å; H29-E31 WeakPolarHBondContact ND1-CB 3.5Å; H29-E31 PolarHBondContact ND1-N 3.36Å; H29-E31 PolarHBondContact O-N 3.2Å; E31-I33 VanDerWaalsContact C-N 3.28Å; E31-I33 PolarHBondContact O-N 3.1Å; E31-K34 PolarHBondContact O-N 3.34Å; E31-R35 WeakPolarHBondContact O-CG 3.28Å; E31-R35 PolarHBondContact O-N 3.34Å |
| 32 | T | 92.3 | Very high | 89.9 | Confident | 3 Ų | 3 | 69 Ų | 69 | 2% | 0.018 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -62.8 | -40.2 | 175.7 | -57.1 | 0 | 0 | 0 | 0 | 110.3 | F25 P26 H29 R35 R36 | F25-T32 PolarHBondContact O-OG1 3.5Å; P26-T32 WeakPolarHBondContact O-CB 3.45Å; P26-T32 PolarHBondContact O-OG1 2.98Å; P26-T32 VanDerWaalsContact O-OG1 3.12Å; H29-T32 PolarHBondContact O-N 3.48Å; T32-R35 PolarHBondContact O-N 3.3Å; T32-R36 HydrophobicContact CG2-CG 4.46Å; T32-R36 WeakPolarHBondContact O-CB 3.33Å; T32-R36 WeakPolarHBondContact O-CG 3.38Å; T32-R36 PolarHBondContact O-N 2.93Å |
| 33 | I | 92.7 | Very high | 90.9 | Very high | 1 Ų | 1 | 68 Ų | 68 | 1% | 0.005 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -59.6 | -54.7 | 175.4 | -64 | 172.9 | 0 | 0 | 0 | 110.2 | D28 H29 P30 E31 R35 R36 V37 W124 I125 R128 | D28-I33 WeakPolarHBondContact O-CD1 3.19Å; H29-I33 WeakPolarHBondContact O-CG1 3.34Å; H29-I33 PolarHBondContact O-N 3.06Å; P30-I33 PolarHBondContact O-N 3.41Å; E31-I33 VanDerWaalsContact C-N 3.28Å; E31-I33 PolarHBondContact O-N 3.1Å; I33-R35 VanDerWaalsContact C-N 3.3Å; I33-R35 PolarHBondContact O-N 3.47Å; I33-R36 PolarHBondContact O-N 3.43Å; I33-R36 VanDerWaalsContact O-N 3.15Å; I33-V37 HydrophobicContact CG2-CG2 4.12Å; I33-V37 VanDerWaalsContact O-CG2 3.24Å; I33-V37 WeakPolarHBondContact O-CG2 3.25Å; I33-V37 PolarHBondContact O-N 2.84Å; I33-W124 HydrophobicContact CB-CB 4.5Å; I33-W124 HydrophobicContact CD1-CB 3.99Å; I33-W124 HydrophobicContact CG2-CB 4.18Å; I33-W124 HydrophobicContact CG2-CE3 4.44Å; I33-I125 HydrophobicContact CD1-CB 4.42Å; I33-I125 HydrophobicContact CD1-CG1 3.67Å; I33-R128 HydrophobicContact CG2-CB 4.01Å; I33-R128 HydrophobicContact CG2-CG 4.39Å |
| 34 | K | 93.4 | Very high | 91.7 | Very high | 101 Ų | 101 | 67.2 Ų | 67.2 | 44% | 0.439 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -55.5 | -43.3 | -179.8 | -73.4 | 171.5 | -178.7 | -178.3 | 0 | 112.4 | P30 E31 V37 V38 W124 | P30-K34 VanDerWaalsContact O-CG 3.29Å; P30-K34 WeakPolarHBondContact O-CG 3.48Å; P30-K34 PolarHBondContact O-N 2.92Å; E31-K34 PolarHBondContact O-N 3.34Å; K34-V37 PolarHBondContact O-N 3.33Å; K34-V38 WeakPolarHBondContact O-CG2 3.45Å; K34-V38 PolarHBondContact O-N 2.76Å; K34-V38 VanDerWaalsContact O-N 3.09Å; K34-W124 HydrophobicContact CD-CZ2 4.35Å; K34-W124 HydrophobicContact CG-CD2 4.26Å; K34-W124 HydrophobicContact CG-CE3 4.11Å; K34-W124 HydrophobicContact CG-CH2 4.16Å; K34-W124 HydrophobicContact CG-CZ2 4.32Å; K34-W124 HydrophobicContact CG-CZ3 4.06Å |
| 35 | R | 94.3 | Very high | 92.3 | Very high | 102 Ų | 102 | 59.7 Ų | 59.7 | 39% | 0.385 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -64.6 | -45.7 | 177.5 | -71.1 | 179.2 | 63.6 | -167.5 | -11 | 112.2 | A21 G22 G23 E31 T32 I33 V37 V38 S39 | A21-R35 HydrophobicContact CB-CB 4.46Å; A21-R35 WeakPolarHBondContact O-CB 3.16Å; A21-R35 PolarHBondContact O-NE 2.89Å; G22-R35 VanDerWaalsContact O-CZ 3.28Å; G22-R35 PolarHBondContact O-NH1 3.31Å; G22-R35 PolarHBondContact O-NH2 3.33Å; G23-R35 VanDerWaalsContact CA-NH1 3.31Å; E31-R35 WeakPolarHBondContact O-CG 3.28Å; E31-R35 PolarHBondContact O-N 3.34Å; T32-R35 PolarHBondContact O-N 3.3Å; I33-R35 VanDerWaalsContact C-N 3.3Å; I33-R35 PolarHBondContact O-N 3.47Å; R35-V37 VanDerWaalsContact C-N 3.33Å; R35-V37 PolarHBondContact O-N 2.93Å; R35-V38 PolarHBondContact O-N 3.13Å; R35-S39 PolarHBondContact O-N 3.36Å |
| 36 | R | 93.9 | Very high | 92.9 | Very high | 34 Ų | 34 | 59.7 Ų | 59.7 | 13% | 0.128 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.8 | -40 | 176.6 | -75.2 | -177.4 | 174.4 | -162.5 | 0.8 | 111.5 | L18 A21 T32 I33 S39 V40 E177 | L18-R36 HydrophobicContact CD2-CB 4.17Å; L18-R36 HydrophobicContact CD2-CG 4.25Å; A21-R36 HydrophobicContact CB-CB 4.47Å; A21-R36 HydrophobicContact CB-CG 3.97Å; T32-R36 HydrophobicContact CG2-CG 4.46Å; T32-R36 WeakPolarHBondContact O-CB 3.33Å; T32-R36 WeakPolarHBondContact O-CG 3.38Å; T32-R36 PolarHBondContact O-N 2.93Å; I33-R36 PolarHBondContact O-N 3.43Å; I33-R36 VanDerWaalsContact O-N 3.15Å; R36-S39 PolarHBondContact O-N 3.39Å; R36-V40 WeakPolarHBondContact O-CB 3.45Å; R36-V40 VanDerWaalsContact O-CG2 3.25Å; R36-V40 WeakPolarHBondContact O-CG2 3.33Å; R36-V40 PolarHBondContact O-N 3.31Å; R36-E177 IonicContact CZ-OE1 3.58Å; R36-E177 IonicContact NH1-OE1 3.45Å; R36-E177 PolarHBondContact NH1-OE1 3.17Å; R36-E177 IonicContact NH2-OE1 3.29Å; R36-E177 PolarHBondContact NH2-OE1 3.37Å |
| 37 | V | 94 | Very high | 93.5 | Very high | 21 Ų | 21 | 55.1 Ų | 55.1 | 13% | 0.127 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -57 | -51.6 | 174.3 | 169 | 0 | 0 | 0 | 0 | 110.9 | I33 K34 R35 S39 V40 F41 I132 | I33-V37 HydrophobicContact CG2-CG2 4.12Å; I33-V37 VanDerWaalsContact O-CG2 3.24Å; I33-V37 WeakPolarHBondContact O-CG2 3.25Å; I33-V37 PolarHBondContact O-N 2.84Å; K34-V37 PolarHBondContact O-N 3.33Å; R35-V37 VanDerWaalsContact C-N 3.33Å; R35-V37 PolarHBondContact O-N 2.93Å; V37-S39 VanDerWaalsContact C-N 3.31Å; V37-S39 PolarHBondContact O-N 3.09Å; V37-V40 PolarHBondContact O-N 3.12Å; V37-F41 HydrophobicContact CG1-CD2 3.79Å; V37-F41 HydrophobicContact CG1-CE2 3.55Å; V37-F41 WeakPolarHBondContact O-CD2 3.39Å; V37-F41 PolarHBondContact O-N 3.36Å; V37-I132 HydrophobicContact CB-CD1 4.43Å; V37-I132 HydrophobicContact CG1-CD1 3.9Å; V37-I132 HydrophobicContact CG1-CG2 4.26Å; V37-I132 HydrophobicContact CG2-CD1 3.58Å; V37-I132 HydrophobicContact CG2-CG2 4.12Å |
| 38 | V | 95.1 | Very high | 94 | Very high | 93 Ų | 93 | 51.7 Ų | 51.7 | 56% | 0.564 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -57.8 | -46.2 | 177.1 | 172.6 | 0 | 0 | 0 | 0 | 111 | K34 R35 V40 F41 V42 | K34-V38 WeakPolarHBondContact O-CG2 3.45Å; K34-V38 PolarHBondContact O-N 2.76Å; K34-V38 VanDerWaalsContact O-N 3.09Å; R35-V38 PolarHBondContact O-N 3.13Å; V38-V40 VanDerWaalsContact C-N 3.34Å; V38-V40 PolarHBondContact O-N 3.18Å; V38-F41 PolarHBondContact O-N 3.34Å; V38-V42 HydrophobicContact CG1-CG2 4.46Å; V38-V42 WeakPolarHBondContact O-CG2 3.24Å; V38-V42 PolarHBondContact O-N 3Å |
| 39 | S | 95.3 | Very high | 94.4 | Very high | 21 Ų | 21 | 52 Ų | 52 | 15% | 0.147 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.6 | -39.3 | 179.8 | -178 | 0 | 0 | 0 | 0 | 113.2 | G17 A21 R35 R36 V37 F41 V42 T43 | G17-S39 WeakPolarHBondContact CA-OG 3.46Å; G17-S39 PolarHBondContact O-OG 2.93Å; A21-S39 VanDerWaalsContact CB-CB 3.49Å; R35-S39 PolarHBondContact O-N 3.36Å; R36-S39 PolarHBondContact O-N 3.39Å; V37-S39 VanDerWaalsContact C-N 3.31Å; V37-S39 PolarHBondContact O-N 3.09Å; S39-F41 VanDerWaalsContact C-N 3.31Å; S39-V42 PolarHBondContact O-N 3.38Å; S39-T43 WeakPolarHBondContact O-CG2 3.05Å; S39-T43 PolarHBondContact O-N 3.49Å; S39-T43 PolarHBondContact O-OG1 3.42Å |
| 40 | V | 95 | Very high | 94.7 | Very high | 13 Ų | 13 | 52.1 Ų | 52.1 | 8% | 0.079 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.3 | -38.4 | 177.9 | 164.2 | 0 | 0 | 0 | 0 | 110.8 | F14 L18 R36 V37 V38 T43 G44 A136 | F14-V40 HydrophobicContact CE2-CG1 3.84Å; F14-V40 HydrophobicContact CE2-CG2 4.21Å; F14-V40 HydrophobicContact CZ-CG1 4.27Å; F14-V40 HydrophobicContact CZ-CG2 4.17Å; L18-V40 HydrophobicContact CD2-CG2 3.51Å; L18-V40 HydrophobicContact CG-CG2 4.44Å; R36-V40 WeakPolarHBondContact O-CB 3.45Å; R36-V40 VanDerWaalsContact O-CG2 3.25Å; R36-V40 WeakPolarHBondContact O-CG2 3.33Å; R36-V40 PolarHBondContact O-N 3.31Å; V37-V40 PolarHBondContact O-N 3.12Å; V38-V40 VanDerWaalsContact C-N 3.34Å; V38-V40 PolarHBondContact O-N 3.18Å; V40-T43 PolarHBondContact O-OG1 3.11Å; V40-G44 WeakPolarHBondContact O-CA 3.15Å; V40-G44 PolarHBondContact O-N 3.19Å; V40-A136 HydrophobicContact CG1-CB 3.11Å |
| 41 | F | 94.7 | Very high | 95 | Very high | 117 Ų | 117 | 49.4 Ų | 49.4 | 51% | 0.513 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -65.7 | -41.4 | 172.2 | -79 | -65.8 | 0 | 0 | 0 | 112.5 | V37 V38 S39 A45 I132 | V37-F41 HydrophobicContact CG1-CD2 3.79Å; V37-F41 HydrophobicContact CG1-CE2 3.55Å; V37-F41 WeakPolarHBondContact O-CD2 3.39Å; V37-F41 PolarHBondContact O-N 3.36Å; V38-F41 PolarHBondContact O-N 3.34Å; S39-F41 VanDerWaalsContact C-N 3.31Å; F41-A45 VanDerWaalsContact O-CB 3.23Å; F41-A45 WeakPolarHBondContact O-CB 3.39Å; F41-A45 PolarHBondContact O-N 3.15Å; F41-I132 HydrophobicContact CE2-CG2 4.5Å |
| 42 | V | 95.9 | Very high | 95.1 | Very high | 82 Ų | 82 | 46.7 Ų | 46.7 | 50% | 0.497 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -65.5 | -52 | 178.5 | 171.6 | 0 | 0 | 0 | 0 | 111.3 | V38 S39 G44 A45 I46 | V38-V42 HydrophobicContact CG1-CG2 4.46Å; V38-V42 WeakPolarHBondContact O-CG2 3.24Å; V38-V42 PolarHBondContact O-N 3Å; S39-V42 PolarHBondContact O-N 3.38Å; V42-G44 VanDerWaalsContact C-N 3.29Å; V42-G44 PolarHBondContact O-N 3.24Å; V42-A45 PolarHBondContact O-N 3.34Å; V42-I46 HydrophobicContact CG1-CD1 4.16Å; V42-I46 WeakPolarHBondContact O-CG1 3.25Å; V42-I46 PolarHBondContact O-N 3.39Å; V42-I46 VanDerWaalsContact O-N 3.1Å |
| 43 | T | 95.9 | Very high | 95.2 | Very high | 8 Ų | 8 | 51 Ų | 51 | 5% | 0.049 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.8 | -37.2 | 178.8 | 55.4 | 0 | 0 | 0 | 0 | 111.2 | L13 S39 V40 I46 S47 | L13-T43 HydrophobicContact CD1-CG2 4.13Å; L13-T43 HydrophobicContact CG-CG2 4.06Å; L13-T43 WeakPolarHBondContact O-CG2 3.5Å; S39-T43 WeakPolarHBondContact O-CG2 3.05Å; S39-T43 PolarHBondContact O-N 3.49Å; S39-T43 PolarHBondContact O-OG1 3.42Å; V40-T43 PolarHBondContact O-OG1 3.11Å; T43-I46 PolarHBondContact O-N 2.92Å; T43-S47 PolarHBondContact O-N 3.02Å; T43-S47 VanDerWaalsContact O-N 3.1Å; T43-S47 PolarHBondContact O-OG 3.36Å |
| 44 | G | 96 | Very high | 95.3 | Very high | 15 Ų | 15 | 55.8 Ų | 55.8 | 16% | 0.155 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.1 | -44.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | V40 V42 I46 S47 M48 | V40-G44 WeakPolarHBondContact O-CA 3.15Å; V40-G44 PolarHBondContact O-N 3.19Å; V42-G44 VanDerWaalsContact C-N 3.29Å; V42-G44 PolarHBondContact O-N 3.24Å; G44-I46 VanDerWaalsContact C-N 3.33Å; G44-I46 PolarHBondContact O-N 3.37Å; G44-S47 PolarHBondContact O-N 2.84Å; G44-M48 VanDerWaalsContact O-CB 3.28Å; G44-M48 WeakPolarHBondContact O-CB 3.18Å; G44-M48 PolarHBondContact O-N 2.85Å |
| 45 | A | 95.9 | Very high | 95.4 | Very high | 53 Ų | 53 | 51 Ų | 51 | 44% | 0.438 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -63.4 | -38 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | F41 V42 T49 | F41-A45 VanDerWaalsContact O-CB 3.23Å; F41-A45 WeakPolarHBondContact O-CB 3.39Å; F41-A45 PolarHBondContact O-N 3.15Å; V42-A45 PolarHBondContact O-N 3.34Å; A45-T49 VanDerWaalsContact O-CB 3.26Å; A45-T49 WeakPolarHBondContact O-CB 3.25Å; A45-T49 PolarHBondContact O-N 3.41Å; A45-T49 PolarHBondContact O-OG1 3Å |
| 46 | I | 96.9 | Very high | 95.4 | Very high | 90 Ų | 90 | 50.5 Ų | 50.5 | 46% | 0.462 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -62.8 | -52.6 | 175.7 | -67 | 164.7 | 0 | 0 | 0 | 110.4 | L13 V42 T43 G44 M48 T49 H50 | L13-I46 HydrophobicContact CD2-CB 3.99Å; L13-I46 HydrophobicContact CD2-CG2 3.65Å; V42-I46 HydrophobicContact CG1-CD1 4.16Å; V42-I46 WeakPolarHBondContact O-CG1 3.25Å; V42-I46 PolarHBondContact O-N 3.39Å; V42-I46 VanDerWaalsContact O-N 3.1Å; T43-I46 PolarHBondContact O-N 2.92Å; G44-I46 VanDerWaalsContact C-N 3.33Å; G44-I46 PolarHBondContact O-N 3.37Å; I46-M48 PolarHBondContact O-N 3.26Å; I46-T49 PolarHBondContact O-N 3.34Å; I46-H50 PolarHBondContact O-N 3.16Å |
| 47 | S | 97.1 | Very high | 95.3 | Very high | 2 Ų | 2 | 52.7 Ų | 52.7 | 1% | 0.014 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.2 | -44.6 | 178.5 | -61.7 | 0 | 0 | 0 | 0 | 111.8 | T43 G44 H50 V51 I140 | T43-S47 PolarHBondContact O-N 3.02Å; T43-S47 VanDerWaalsContact O-N 3.1Å; T43-S47 PolarHBondContact O-OG 3.36Å; G44-S47 PolarHBondContact O-N 2.84Å; S47-H50 PolarHBondContact O-N 3.25Å; S47-V51 WeakPolarHBondContact O-CG2 3.11Å; S47-V51 PolarHBondContact O-N 2.99Å; S47-I140 VanDerWaalsContact CB-CD1 3.48Å |
| 48 | M | 95.9 | Very high | 95 | Very high | 33 Ų | 33 | 61.5 Ų | 61.5 | 16% | 0.163 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.8 | -43.3 | 178.6 | -170.9 | 57.8 | 61.5 | 0 | 0 | 111.6 | G44 I46 H50 V51 L52 L73 L139 | G44-M48 VanDerWaalsContact O-CB 3.28Å; G44-M48 WeakPolarHBondContact O-CB 3.18Å; G44-M48 PolarHBondContact O-N 2.85Å; I46-M48 PolarHBondContact O-N 3.26Å; M48-H50 VanDerWaalsContact C-N 3.3Å; M48-H50 PolarHBondContact O-N 3.38Å; M48-V51 PolarHBondContact O-N 3.08Å; M48-L52 HydrophobicContact CG-CD1 4.29Å; M48-L52 HydrophobicContact CG-CG 4.43Å; M48-L52 WeakPolarHBondContact O-CB 3.16Å; M48-L52 VanDerWaalsContact O-CG 3.24Å; M48-L52 WeakPolarHBondContact O-CG 3.27Å; M48-L52 PolarHBondContact O-N 3.31Å; M48-L73 HydrophobicContact SD-CD1 3.84Å; M48-L139 HydrophobicContact CE-CB 4.41Å; M48-L139 HydrophobicContact CE-CD2 4.04Å |
| 49 | T | 95.1 | Very high | 94.7 | Very high | 88 Ų | 88 | 64.1 Ų | 64.1 | 54% | 0.54 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -60.9 | -41.1 | 176.5 | -58.3 | 0 | 0 | 0 | 0 | 111.4 | A45 I46 L52 T53 | A45-T49 VanDerWaalsContact O-CB 3.26Å; A45-T49 WeakPolarHBondContact O-CB 3.25Å; A45-T49 PolarHBondContact O-N 3.41Å; A45-T49 PolarHBondContact O-OG1 3Å; I46-T49 PolarHBondContact O-N 3.34Å; T49-L52 PolarHBondContact O-N 3.12Å; T49-T53 PolarHBondContact O-N 2.78Å |
| 50 | H | 96.7 | Very high | 94.4 | Very high | 71 Ų | 71 | 67.1 Ų | 67.1 | 33% | 0.329 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61.8 | -47.5 | 175.3 | -173.6 | -121.2 | 0 | 0 | 0 | 111.2 | Y10 I46 S47 M48 L52 T53 Y54 | Y10-H50 HydrophobicContact CE1-CB 4.42Å; Y10-H50 AromaticContact CE1-ND1 3.55Å; Y10-H50 AromaticContact CZ-ND1 3.57Å; Y10-H50 PolarHBondContact OH-ND1 3.34Å; I46-H50 PolarHBondContact O-N 3.16Å; S47-H50 PolarHBondContact O-N 3.25Å; M48-H50 VanDerWaalsContact C-N 3.3Å; M48-H50 PolarHBondContact O-N 3.38Å; H50-L52 VanDerWaalsContact C-N 3.32Å; H50-L52 PolarHBondContact O-N 3.13Å; H50-T53 WeakPolarHBondContact O-CB 3.41Å; H50-T53 PolarHBondContact O-N 3.45Å; H50-T53 VanDerWaalsContact O-N 3.14Å; H50-T53 PolarHBondContact O-OG1 3.47Å; H50-Y54 AromaticContact CE1-CE2 3.72Å; H50-Y54 AromaticContact NE2-CE2 3.92Å; H50-Y54 WeakPolarHBondContact O-CD2 3.25Å |
| 51 | V | 96.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -65.4 | -34 | 178.2 | 177.8 | 0 | 0 | 0 | 0 | 112.6 | Y10 S47 M48 T53 Y54 I55 L73 C144 F147 | Y10-V51 HydrophobicContact CE2-CG2 3.69Å; Y10-V51 VanDerWaalsContact OH-CG2 3.23Å; Y10-V51 WeakPolarHBondContact OH-CG2 3.13Å; S47-V51 WeakPolarHBondContact O-CG2 3.11Å; S47-V51 PolarHBondContact O-N 2.99Å; M48-V51 PolarHBondContact O-N 3.08Å; V51-T53 PolarHBondContact O-N 2.89Å; V51-T53 VanDerWaalsContact O-N 3.15Å; V51-Y54 WeakPolarHBondContact O-CB 3.45Å; V51-Y54 PolarHBondContact O-N 3.33Å; V51-I55 PolarHBondContact O-N 3.04Å; V51-L73 HydrophobicContact CG1-CD1 3.98Å; V51-L73 HydrophobicContact CG1-CD2 3.4Å; V51-L73 VanDerWaalsContact CG1-CD2 3.4Å; V51-L73 HydrophobicContact CG1-CG 4.27Å; V51-C144 HydrophobicContact CG2-CB 3.73Å; V51-F147 HydrophobicContact CG1-CD1 3.94Å; V51-F147 HydrophobicContact CG1-CE1 4.28Å; V51-F147 HydrophobicContact CG1-CG 4.33Å |
| 52 | L | 95.1 | Very high | 93.8 | Very high | 32 Ų | 32 | 66 Ų | 66 | 17% | 0.168 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -58 | -27.8 | 174.9 | -76 | 170.2 | 0 | 0 | 0 | 112.4 | M48 T49 H50 Y54 I55 R56 Y68 F70 | M48-L52 HydrophobicContact CG-CD1 4.29Å; M48-L52 HydrophobicContact CG-CG 4.43Å; M48-L52 WeakPolarHBondContact O-CB 3.16Å; M48-L52 VanDerWaalsContact O-CG 3.24Å; M48-L52 WeakPolarHBondContact O-CG 3.27Å; M48-L52 PolarHBondContact O-N 3.31Å; T49-L52 PolarHBondContact O-N 3.12Å; H50-L52 VanDerWaalsContact C-N 3.32Å; H50-L52 PolarHBondContact O-N 3.13Å; L52-Y54 PolarHBondContact O-N 3.19Å; L52-I55 HydrophobicContact CD2-CD1 3.92Å; L52-I55 HydrophobicContact CD2-CG1 4.19Å; L52-R56 WeakPolarHBondContact O-CB 3.37Å; L52-R56 PolarHBondContact O-N 2.66Å; L52-Y68 HydrophobicContact CB-CD1 4.02Å; L52-Y68 HydrophobicContact CB-CE1 3.78Å; L52-Y68 HydrophobicContact CD2-CD1 3.56Å; L52-Y68 HydrophobicContact CD2-CE1 4.03Å; L52-Y68 HydrophobicContact CD2-CG 3.9Å; L52-Y68 HydrophobicContact CG-CD1 4.36Å; L52-Y68 HydrophobicContact CG-CE1 4.41Å; L52-Y68 WeakPolarHBondContact O-CD1 3.19Å; L52-Y68 WeakPolarHBondContact O-CE1 3.44Å; L52-F70 HydrophobicContact CD2-CE1 3.71Å; L52-F70 HydrophobicContact CD2-CZ 3.76Å |
| 53 | T | 94.4 | Very high | 93.5 | Very high | 93 Ų | 93 | 71.5 Ų | 71.5 | 57% | 0.571 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -25.9 | 174.6 | 71.6 | 0 | 0 | 0 | 0 | 113.3 | T49 H50 V51 | T49-T53 PolarHBondContact O-N 2.78Å; H50-T53 WeakPolarHBondContact O-CB 3.41Å; H50-T53 PolarHBondContact O-N 3.45Å; H50-T53 VanDerWaalsContact O-N 3.14Å; H50-T53 PolarHBondContact O-OG1 3.47Å; V51-T53 PolarHBondContact O-N 2.89Å; V51-T53 VanDerWaalsContact O-N 3.15Å |
| 54 | Y | 94.8 | Very high | 93.2 | Very high | 102 Ų | 102 | 75.9 Ų | 75.9 | 40% | 0.4 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -27.6 | -179.2 | -65.6 | -91.9 | 0 | 0 | 0 | 113.5 | N6 H50 V51 L52 F147 | N6-Y54 PolarHBondContact ND2-OH 3.27Å; H50-Y54 AromaticContact CE1-CE2 3.72Å; H50-Y54 AromaticContact NE2-CE2 3.92Å; H50-Y54 WeakPolarHBondContact O-CD2 3.25Å; V51-Y54 WeakPolarHBondContact O-CB 3.45Å; V51-Y54 PolarHBondContact O-N 3.33Å; L52-Y54 PolarHBondContact O-N 3.19Å; Y54-F147 HydrophobicContact CG-CE1 4.15Å |
| 55 | I | 94.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 81.5 Ų | 81.5 | 0% | 0 | 40% | 0.404 | C | S | . | . | S | Bend | trans | -100.3 | 6.8 | -178.4 | 65.3 | 154.4 | 0 | 0 | 0 | 113.1 | V51 L52 Y68 E69 F70 K72 L73 F147 | V51-I55 PolarHBondContact O-N 3.04Å; L52-I55 HydrophobicContact CD2-CD1 3.92Å; L52-I55 HydrophobicContact CD2-CG1 4.19Å; I55-Y68 HydrophobicContact CG1-CD1 4.43Å; I55-Y68 WeakPolarHBondContact O-CA 3.43Å; I55-E69 HydrophobicContact CB-CB 4.44Å; I55-E69 PolarHBondContact O-N 2.83Å; I55-F70 HydrophobicContact CD1-CD1 4.41Å; I55-K72 HydrophobicContact CB-CD 4.46Å; I55-K72 HydrophobicContact CG2-CB 3.85Å; I55-K72 HydrophobicContact CG2-CD 4.08Å; I55-L73 HydrophobicContact CD1-CD1 3.59Å; I55-L73 HydrophobicContact CD1-CG 3.98Å; I55-L73 HydrophobicContact CG1-CD1 4.49Å; I55-L73 HydrophobicContact CG2-CD2 4.5Å; I55-L73 HydrophobicContact CG2-CG 4.48Å; I55-F147 HydrophobicContact CG2-CD2 4.23Å; I55-F147 HydrophobicContact CG2-CE2 3.52Å; I55-F147 HydrophobicContact CG2-CZ 3.72Å |
| 56 | R | 94.7 | Very high | 92.7 | Very high | 93 Ų | 93 | 82.8 Ų | 82.8 | 35% | 0.351 | 41% | 0.41 | S | S | . | . | B | Isolated β-bridge | trans | -80.5 | 133.3 | 178.7 | -178.9 | 178.2 | 166.6 | -152.3 | -7.8 | 110.9 | L52 Y58 H60 S67 Y68 | L52-R56 WeakPolarHBondContact O-CB 3.37Å; L52-R56 PolarHBondContact O-N 2.66Å; R56-Y58 PolarHBondContact O-N 2.89Å; R56-H60 PolarHBondContact NH2-O 3.43Å; R56-S67 CarbonylContact C-O 3.36Å; R56-S67 WeakPolarHBondContact CA-O 3.38Å; R56-Y68 HydrophobicContact CB-CD1 3.77Å; R56-Y68 HydrophobicContact CB-CE1 3.7Å; R56-Y68 HydrophobicContact CG-CD1 4.23Å; R56-Y68 HydrophobicContact CG-CE1 3.94Å |
| 57 | F | 92.5 | Very high | 92.5 | Very high | 79 Ų | 79 | 78.5 Ų | 78.5 | 35% | 0.346 | 39% | 0.388 | S | S | . | . | trans | -70 | 122.4 | 164 | -65.5 | -69.2 | 0 | 0 | 0 | 110.2 | D59 H60 S67 E69 | F57-D59 PolarHBondContact O-N 3.43Å; F57-H60 HydrophobicContact CB-CB 4.19Å; F57-H60 VanDerWaalsContact CB-CD2 3.43Å; F57-H60 WeakPolarHBondContact CB-CD2 3.28Å; F57-H60 PolarHBondContact O-N 3.2Å; F57-S67 PolarHBondContact N-O 2.86Å; F57-E69 HydrophobicContact CD1-CG 4.39Å; F57-E69 HydrophobicContact CD2-CG 4.02Å; F57-E69 HydrophobicContact CE1-CG 3.68Å; F57-E69 WeakPolarHBondContact CE1-OE1 3.33Å; F57-E69 HydrophobicContact CE2-CG 3.24Å; F57-E69 HydrophobicContact CZ-CG 3.05Å; F57-E69 WeakPolarHBondContact CZ-OE1 3.42Å | ||
| 58 | Y | 87.3 | Confident | 92.4 | Very high | 207 Ų | 207 | 80.7 Ų | 80.7 | 81% | 0.812 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -35.5 | -175.6 | -171.9 | -97.9 | 0 | 0 | 0 | 112.6 | R56 H60 | R56-Y58 PolarHBondContact O-N 2.89Å; Y58-H60 VanDerWaalsContact C-N 3.29Å; Y58-H60 PolarHBondContact O-N 3.47Å |
| 59 | D | 89.7 | Confident | 92.4 | Very high | 148 Ų | 148 | 81.7 Ų | 81.7 | 79% | 0.791 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | -8.6 | -172.9 | -48.5 | -34.3 | 0 | 0 | 0 | 113.3 | F57 | F57-D59 PolarHBondContact O-N 3.43Š|
| 60 | H | 88.4 | Confident | 92.3 | Very high | 83 Ų | 83 | 79.7 Ų | 79.7 | 38% | 0.384 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -99.5 | 148.7 | -177 | -71.1 | -107.8 | 0 | 0 | 0 | 112.5 | R56 F57 Y58 S67 | R56-H60 PolarHBondContact NH2-O 3.43Å; F57-H60 HydrophobicContact CB-CB 4.19Å; F57-H60 VanDerWaalsContact CB-CD2 3.43Å; F57-H60 WeakPolarHBondContact CB-CD2 3.28Å; F57-H60 PolarHBondContact O-N 3.2Å; Y58-H60 VanDerWaalsContact C-N 3.29Å; Y58-H60 PolarHBondContact O-N 3.47Å; H60-S67 WeakPolarHBondContact CB-OG 3.4Å |
| 61 | P | 90.3 | Very high | 92.2 | Very high | 60 Ų | 60 | 77.1 Ų | 77.1 | 39% | 0.39 | 38% | 0.377 | S | S | . | . | trans | -64.5 | 135.6 | 179.5 | 26.2 | -34.6 | 0 | 0 | 0 | 111.3 | F63 Q64 S67 | P61-F63 PolarHBondContact O-N 3.25Å; P61-F63 VanDerWaalsContact O-N 3.1Å; P61-Q64 HydrophobicContact CG-CB 4.44Å; P61-Q64 HydrophobicContact CG-CG 3.99Å; P61-Q64 PolarHBondContact O-N 3.47Å; P61-S67 WeakPolarHBondContact O-CB 3.37Å; P61-S67 PolarHBondContact O-OG 2.95Å | ||
| 62 | P | 87.2 | Confident | 92 | Very high | 46 Ų | 46 | 79 Ų | 79 | 30% | 0.299 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -21.5 | -170.3 | 22 | -29.6 | 0 | 0 | 0 | 114.5 | Q64 Y68 | P62-Q64 VanDerWaalsContact C-N 3.34Å; P62-Q64 PolarHBondContact O-N 3.29Å; P62-Y68 WeakPolarHBondContact O-CE2 3.43Å; P62-Y68 PolarHBondContact O-OH 3.44Å |
| 63 | F | 88.1 | Confident | 92 | Very high | 198 Ų | 198 | 77.4 Ų | 77.4 | 87% | 0.868 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | 7.1 | -172.7 | -56 | -71 | 0 | 0 | 0 | 114.1 | P61 | P61-F63 PolarHBondContact O-N 3.25Å; P61-F63 VanDerWaalsContact O-N 3.1Å |
| 64 | Q | 90.9 | Very high | 92 | Very high | 101 Ų | 101 | 73.3 Ų | 73.3 | 47% | 0.472 | 35% | 0.351 | S | S | . | . | trans | -107.2 | 137 | 177.7 | -66 | -178.4 | 0.4 | 0 | 0 | 110.7 | P61 P62 S66 S67 Y68 | P61-Q64 HydrophobicContact CG-CB 4.44Å; P61-Q64 HydrophobicContact CG-CG 3.99Å; P61-Q64 PolarHBondContact O-N 3.47Å; P62-Q64 VanDerWaalsContact C-N 3.34Å; P62-Q64 PolarHBondContact O-N 3.29Å; Q64-S66 VanDerWaalsContact C-N 3.25Å; Q64-S66 PolarHBondContact O-N 3.47Å; Q64-S67 WeakPolarHBondContact O-CB 3.11Å; Q64-S67 PolarHBondContact O-N 2.78Å; Q64-S67 VanDerWaalsContact O-N 3.11Å; Q64-S67 PolarHBondContact O-OG 3.31Å; Q64-S67 VanDerWaalsContact O-OG 3.13Å; Q64-Y68 WeakPolarHBondContact O-CD2 3.33Å; Q64-Y68 WeakPolarHBondContact O-CE2 3.35Å | ||
| 65 | L | 89.3 | Confident | 92 | Very high | 133 Ų | 133 | 71 Ų | 71 | 70% | 0.696 | 35% | 0.346 | S | S | * | . | G | 310 helix | trans | -63.7 | -33.1 | 179.1 | -164.3 | 73.8 | 0 | 0 | 0 | 112.1 | S67 Y68 F70 | L65-S67 PolarHBondContact O-N 2.81Å; L65-S67 VanDerWaalsContact O-N 3.16Å; L65-Y68 PolarHBondContact O-N 3.21Å; L65-F70 HydrophobicContact CD1-CD2 4.35Å; L65-F70 HydrophobicContact CD1-CE2 3.29Å; L65-F70 HydrophobicContact CD1-CZ 3.49Å; L65-F70 VanDerWaalsContact CD1-CZ 3.49Å; L65-F70 HydrophobicContact CG-CD2 4.37Å; L65-F70 HydrophobicContact CG-CE2 3.64Å; L65-F70 HydrophobicContact CG-CZ 4.35Å |
| 66 | S | 91 | Very high | 92 | Very high | 80 Ų | 80 | 73.6 Ų | 73.6 | 56% | 0.559 | 36% | 0.355 | S | S | * | . | G | 310 helix | trans | -64.1 | -14.1 | 175.9 | 49.1 | 0 | 0 | 0 | 0 | 113.8 | Q64 Y68 | Q64-S66 VanDerWaalsContact C-N 3.25Å; Q64-S66 PolarHBondContact O-N 3.47Å; S66-Y68 PolarHBondContact O-N 3.35Å |
| 67 | S | 93.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 76.6 Ų | 76.6 | 0% | 0 | 38% | 0.377 | C | S | . | . | G | 310 helix | trans | -76.2 | -3.7 | 176.9 | -51.3 | 0 | 0 | 0 | 0 | 113.3 | R56 F57 H60 P61 Q64 L65 | R56-S67 CarbonylContact C-O 3.36Å; R56-S67 WeakPolarHBondContact CA-O 3.38Å; F57-S67 PolarHBondContact N-O 2.86Å; H60-S67 WeakPolarHBondContact CB-OG 3.4Å; P61-S67 WeakPolarHBondContact O-CB 3.37Å; P61-S67 PolarHBondContact O-OG 2.95Å; Q64-S67 WeakPolarHBondContact O-CB 3.11Å; Q64-S67 PolarHBondContact O-N 2.78Å; Q64-S67 VanDerWaalsContact O-N 3.11Å; Q64-S67 PolarHBondContact O-OG 3.31Å; Q64-S67 VanDerWaalsContact O-OG 3.13Å; L65-S67 PolarHBondContact O-N 2.81Å; L65-S67 VanDerWaalsContact O-N 3.16Å |
| 68 | Y | 95.7 | Very high | 91.9 | Very high | 48 Ų | 48 | 75.9 Ų | 75.9 | 19% | 0.188 | 38% | 0.377 | C | S | . | . | B | Isolated β-bridge | trans | -125.3 | 134 | -174.4 | -59.3 | -88.4 | 0 | 0 | 0 | 111.6 | L52 I55 R56 P62 Q64 L65 S66 F70 | L52-Y68 HydrophobicContact CB-CD1 4.02Å; L52-Y68 HydrophobicContact CB-CE1 3.78Å; L52-Y68 HydrophobicContact CD2-CD1 3.56Å; L52-Y68 HydrophobicContact CD2-CE1 4.03Å; L52-Y68 HydrophobicContact CD2-CG 3.9Å; L52-Y68 HydrophobicContact CG-CD1 4.36Å; L52-Y68 HydrophobicContact CG-CE1 4.41Å; L52-Y68 WeakPolarHBondContact O-CD1 3.19Å; L52-Y68 WeakPolarHBondContact O-CE1 3.44Å; I55-Y68 HydrophobicContact CG1-CD1 4.43Å; I55-Y68 WeakPolarHBondContact O-CA 3.43Å; R56-Y68 HydrophobicContact CB-CD1 3.77Å; R56-Y68 HydrophobicContact CB-CE1 3.7Å; R56-Y68 HydrophobicContact CG-CD1 4.23Å; R56-Y68 HydrophobicContact CG-CE1 3.94Å; P62-Y68 WeakPolarHBondContact O-CE2 3.43Å; P62-Y68 PolarHBondContact O-OH 3.44Å; Q64-Y68 WeakPolarHBondContact O-CD2 3.33Å; Q64-Y68 WeakPolarHBondContact O-CE2 3.35Å; L65-Y68 PolarHBondContact O-N 3.21Å; S66-Y68 PolarHBondContact O-N 3.35Å; Y68-F70 VanDerWaalsContact C-N 3.32Å; Y68-F70 HydrophobicContact CD2-CE2 4.49Å; Y68-F70 HydrophobicContact CG-CE2 4.33Å; Y68-F70 WeakPolarHBondContact O-CD2 3.18Å; Y68-F70 PolarHBondContact O-N 3.06Å |
| 69 | E | 93.9 | Very high | 92.2 | Very high | 53 Ų | 53 | 67 Ų | 67 | 25% | 0.248 | 35% | 0.349 | C | S | . | . | trans | -84.8 | 68.5 | 177.9 | -66.8 | -176.9 | -112 | 0 | 0 | 111.8 | I55 F57 G71 K72 | I55-E69 HydrophobicContact CB-CB 4.44Å; I55-E69 PolarHBondContact O-N 2.83Å; F57-E69 HydrophobicContact CD1-CG 4.39Å; F57-E69 HydrophobicContact CD2-CG 4.02Å; F57-E69 HydrophobicContact CE1-CG 3.68Å; F57-E69 WeakPolarHBondContact CE1-OE1 3.33Å; F57-E69 HydrophobicContact CE2-CG 3.24Å; F57-E69 HydrophobicContact CZ-CG 3.05Å; F57-E69 WeakPolarHBondContact CZ-OE1 3.42Å; E69-G71 PolarHBondContact O-N 3.36Å; E69-K72 HydrophobicContact CB-CD 3.96Å; E69-K72 HydrophobicContact CB-CG 4.17Å; E69-K72 WeakPolarHBondContact O-CB 3.16Å; E69-K72 PolarHBondContact O-N 2.97Å; E69-K72 IonicContact OE1-NZ 2.77Å; E69-K72 PolarHBondContact OE1-NZ 3.17Å; E69-K72 WeakPolarHBondContact OE2-CE 3.3Å; E69-K72 IonicContact OE2-NZ 2.92Å; E69-K72 PolarHBondContact OE2-NZ 2.73Å | ||
| 70 | F | 95 | Very high | 92.5 | Very high | 46 Ų | 46 | 63 Ų | 63 | 20% | 0.202 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -55 | -22.7 | 179.7 | -75.3 | -76.2 | 0 | 0 | 0 | 114.3 | L52 I55 L65 Y68 K72 L73 F74 I75 | L52-F70 HydrophobicContact CD2-CE1 3.71Å; L52-F70 HydrophobicContact CD2-CZ 3.76Å; I55-F70 HydrophobicContact CD1-CD1 4.41Å; L65-F70 HydrophobicContact CD1-CD2 4.35Å; L65-F70 HydrophobicContact CD1-CE2 3.29Å; L65-F70 HydrophobicContact CD1-CZ 3.49Å; L65-F70 VanDerWaalsContact CD1-CZ 3.49Å; L65-F70 HydrophobicContact CG-CD2 4.37Å; L65-F70 HydrophobicContact CG-CE2 3.64Å; L65-F70 HydrophobicContact CG-CZ 4.35Å; Y68-F70 VanDerWaalsContact C-N 3.32Å; Y68-F70 HydrophobicContact CD2-CE2 4.49Å; Y68-F70 HydrophobicContact CG-CE2 4.33Å; Y68-F70 WeakPolarHBondContact O-CD2 3.18Å; Y68-F70 PolarHBondContact O-N 3.06Å; F70-K72 PolarHBondContact O-N 2.94Å; F70-L73 CarbonylContact O-C 3.57Å; F70-L73 WeakPolarHBondContact O-CA 3.49Å; F70-L73 PolarHBondContact O-N 2.93Å; F70-F74 PolarHBondContact O-N 3.19Å; F70-I75 CarbonylContact C-O 3.45Å; F70-I75 HydrophobicContact CB-CB 4.08Å; F70-I75 HydrophobicContact CB-CG2 4.28Å; F70-I75 WeakPolarHBondContact CB-O 3.46Å; F70-I75 HydrophobicContact CD1-CB 4.41Å; F70-I75 HydrophobicContact CD1-CD1 4.17Å; F70-I75 HydrophobicContact CD1-CG2 4.39Å; F70-I75 PolarHBondContact O-N 3.49Å; F70-I75 VanDerWaalsContact O-N 3.07Å |
| 71 | G | 92.8 | Very high | 92.9 | Very high | 17 Ų | 17 | 65.1 Ų | 65.1 | 18% | 0.175 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -58.4 | -29 | 171.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | E69 L73 F74 | E69-G71 PolarHBondContact O-N 3.36Å; G71-L73 PolarHBondContact O-N 3Å; G71-F74 PolarHBondContact O-N 3.42Å; G71-F74 VanDerWaalsContact O-N 3.09Å |
| 72 | K | 92.5 | Very high | 93.2 | Very high | 39 Ų | 39 | 66.2 Ų | 66.2 | 17% | 0.17 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | -68.4 | -17.8 | 173.8 | -70.5 | 177.5 | 171.2 | 159.3 | 0 | 113 | I55 E69 F70 F147 Y287 | I55-K72 HydrophobicContact CB-CD 4.46Å; I55-K72 HydrophobicContact CG2-CB 3.85Å; I55-K72 HydrophobicContact CG2-CD 4.08Å; E69-K72 HydrophobicContact CB-CD 3.96Å; E69-K72 HydrophobicContact CB-CG 4.17Å; E69-K72 WeakPolarHBondContact O-CB 3.16Å; E69-K72 PolarHBondContact O-N 2.97Å; E69-K72 IonicContact OE1-NZ 2.77Å; E69-K72 PolarHBondContact OE1-NZ 3.17Å; E69-K72 WeakPolarHBondContact OE2-CE 3.3Å; E69-K72 IonicContact OE2-NZ 2.92Å; E69-K72 PolarHBondContact OE2-NZ 2.73Å; F70-K72 PolarHBondContact O-N 2.94Å; K72-F147 HydrophobicContact CB-CD2 4.23Å; K72-F147 HydrophobicContact CB-CE2 4.06Å; K72-F147 HydrophobicContact CD-CE2 4.49Å; K72-Y287 HydrophobicContact CB-CE2 4.46Å; K72-Y287 HydrophobicContact CG-CE2 4.18Å |
| 73 | L | 95.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -103.4 | 11.3 | 174.1 | -56.2 | 178.8 | 0 | 0 | 0 | 112.4 | M48 V51 I55 F70 G71 I75 A143 F147 | M48-L73 HydrophobicContact SD-CD1 3.84Å; V51-L73 HydrophobicContact CG1-CD1 3.98Å; V51-L73 HydrophobicContact CG1-CD2 3.4Å; V51-L73 VanDerWaalsContact CG1-CD2 3.4Å; V51-L73 HydrophobicContact CG1-CG 4.27Å; I55-L73 HydrophobicContact CD1-CD1 3.59Å; I55-L73 HydrophobicContact CD1-CG 3.98Å; I55-L73 HydrophobicContact CG1-CD1 4.49Å; I55-L73 HydrophobicContact CG2-CD2 4.5Å; I55-L73 HydrophobicContact CG2-CG 4.48Å; F70-L73 CarbonylContact O-C 3.57Å; F70-L73 WeakPolarHBondContact O-CA 3.49Å; F70-L73 PolarHBondContact O-N 2.93Å; G71-L73 PolarHBondContact O-N 3Å; L73-I75 HydrophobicContact CB-CD1 4.05Å; L73-I75 HydrophobicContact CB-CG1 4.23Å; L73-I75 HydrophobicContact CD1-CD1 4.43Å; L73-I75 PolarHBondContact O-N 2.8Å; L73-I75 VanDerWaalsContact O-N 3.12Å; L73-A143 HydrophobicContact CB-CB 4.09Å; L73-F147 HydrophobicContact CD2-CB 3.74Å; L73-F147 HydrophobicContact CD2-CD2 3.93Å; L73-F147 HydrophobicContact CD2-CG 3.83Å |
| 74 | F | 94.9 | Very high | 94.2 | Very high | 6 Ų | 6 | 56.7 Ų | 56.7 | 3% | 0.026 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59.8 | 17.7 | -174.7 | -49 | -87.7 | 0 | 0 | 0 | 113.4 | F70 G71 R76 T146 M210 L211 N215 I216 | F70-F74 PolarHBondContact O-N 3.19Å; G71-F74 PolarHBondContact O-N 3.42Å; G71-F74 VanDerWaalsContact O-N 3.09Å; F74-R76 PolarHBondContact O-N 3.38Å; F74-T146 HydrophobicContact CE2-CG2 4.34Å; F74-M210 HydrophobicContact CB-CG 3.73Å; F74-M210 HydrophobicContact CB-SD 3.81Å; F74-M210 HydrophobicContact CD1-CG 3.97Å; F74-M210 HydrophobicContact CD2-CE 3.76Å; F74-M210 HydrophobicContact CD2-CG 4.11Å; F74-M210 HydrophobicContact CD2-SD 3.57Å; F74-M210 VanDerWaalsContact CD2-SD 3.57Å; F74-M210 HydrophobicContact CE2-CE 3.87Å; F74-M210 HydrophobicContact CE2-SD 4.31Å; F74-M210 HydrophobicContact CG-CE 4.28Å; F74-M210 HydrophobicContact CG-CG 3.66Å; F74-M210 HydrophobicContact CG-SD 3.71Å; F74-M210 HydrophobicContact CZ-CE 4.45Å; F74-L211 HydrophobicContact CE1-CD2 3.9Å; F74-L211 HydrophobicContact CE2-CD2 4.39Å; F74-L211 HydrophobicContact CZ-CD2 3.55Å; F74-N215 CarbonylContact O-C 3.6Å; F74-N215 WeakPolarHBondContact O-CA 3.5Å; F74-I216 HydrophobicContact CB-CB 4.25Å; F74-I216 PolarHBondContact O-N 3.04Å |
| 75 | I | 95.5 | Very high | 94.5 | Very high | 55 Ų | 55 | 55.7 Ų | 55.7 | 28% | 0.282 | 30% | 0.295 | S | S | . | . | trans | -89.5 | 99.8 | 175.4 | -63 | 166.8 | 0 | 0 | 0 | 107.2 | F70 L73 L139 I216 | F70-I75 CarbonylContact C-O 3.45Å; F70-I75 HydrophobicContact CB-CB 4.08Å; F70-I75 HydrophobicContact CB-CG2 4.28Å; F70-I75 WeakPolarHBondContact CB-O 3.46Å; F70-I75 HydrophobicContact CD1-CB 4.41Å; F70-I75 HydrophobicContact CD1-CD1 4.17Å; F70-I75 HydrophobicContact CD1-CG2 4.39Å; F70-I75 PolarHBondContact O-N 3.49Å; F70-I75 VanDerWaalsContact O-N 3.07Å; L73-I75 HydrophobicContact CB-CD1 4.05Å; L73-I75 HydrophobicContact CB-CG1 4.23Å; L73-I75 HydrophobicContact CD1-CD1 4.43Å; L73-I75 PolarHBondContact O-N 2.8Å; L73-I75 VanDerWaalsContact O-N 3.12Å; I75-L139 HydrophobicContact CD1-CD2 4.06Å; I75-I216 HydrophobicContact CG1-CG2 4.03Å | ||
| 76 | R | 92.8 | Very high | 94.9 | Very high | 54 Ų | 54 | 49.8 Ų | 49.8 | 20% | 0.204 | 26% | 0.264 | C | S | . | . | trans | -138.4 | 141.7 | -172.1 | -75.7 | 177.5 | 152.6 | -86.6 | 5.3 | 111.4 | F74 D78 G214 N215 W276 | F74-R76 PolarHBondContact O-N 3.38Å; R76-D78 WeakPolarHBondContact CB-OD1 3.39Å; R76-D78 IonicContact CZ-OD1 3.87Å; R76-D78 IonicContact NH1-OD1 2.72Å; R76-D78 PolarHBondContact NH1-OD1 3.28Å; R76-D78 IonicContact NH1-OD2 2.84Å; R76-D78 PolarHBondContact NH1-OD2 2.96Å; R76-G214 WeakPolarHBondContact CD-O 3.34Å; R76-N215 PolarHBondContact O-ND2 2.92Å; R76-W276 VanDerWaalsContact CZ-CZ3 3.46Å; R76-W276 VanDerWaalsContact NH1-CZ2 3.28Å; R76-W276 VanDerWaalsContact NH2-CH2 3.31Å; R76-W276 VanDerWaalsContact NH2-CZ3 3.34Å | ||
| 77 | L | 93.7 | Very high | 95.2 | Very high | 155 Ų | 155 | 46 Ų | 46 | 81% | 0.812 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -85.9 | -31.9 | 169.4 | -67.8 | 179 | 0 | 0 | 0 | 111.5 | L80 | L77-L80 VanDerWaalsContact O-CB 3.22Å; L77-L80 WeakPolarHBondContact O-CB 3.35Å; L77-L80 PolarHBondContact O-N 3.03Å |
| 78 | D | 92.5 | Very high | 95.5 | Very high | 65 Ų | 65 | 48.3 Ų | 48.3 | 35% | 0.348 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | 133.5 | 177.6 | 61.5 | -36.8 | 0 | 0 | 0 | 111.4 | R76 L80 K275 W276 | R76-D78 WeakPolarHBondContact CB-OD1 3.39Å; R76-D78 IonicContact CZ-OD1 3.87Å; R76-D78 IonicContact NH1-OD1 2.72Å; R76-D78 PolarHBondContact NH1-OD1 3.28Å; R76-D78 IonicContact NH1-OD2 2.84Å; R76-D78 PolarHBondContact NH1-OD2 2.96Å; D78-L80 PolarHBondContact O-N 3.01Å; D78-K275 IonicContact OD2-NZ 3.63Å; D78-W276 WeakPolarHBondContact OD2-CZ2 3.41Å |
| 79 | G | 92.7 | Very high | 95.6 | Very high | 21 Ų | 21 | 49.6 Ų | 49.6 | 22% | 0.216 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 74.2 | 3.8 | -171.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | L81 E82 A83 | G79-L81 PolarHBondContact O-N 3.34Å; G79-E82 PolarHBondContact O-N 3.38Å; G79-A83 WeakPolarHBondContact O-CB 3.45Å; G79-A83 PolarHBondContact O-N 3.47Å |
| 80 | L | 96.3 | Very high | 95.8 | Very high | 63 Ų | 63 | 47.1 Ų | 47.1 | 33% | 0.33 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -56.5 | -50.8 | 180 | 176 | 61.9 | 0 | 0 | 0 | 112.3 | L77 D78 E82 A83 V84 N215 A217 | L77-L80 VanDerWaalsContact O-CB 3.22Å; L77-L80 WeakPolarHBondContact O-CB 3.35Å; L77-L80 PolarHBondContact O-N 3.03Å; D78-L80 PolarHBondContact O-N 3.01Å; L80-E82 PolarHBondContact O-N 2.72Å; L80-A83 PolarHBondContact O-N 3.03Å; L80-V84 HydrophobicContact CD1-CG2 4.28Å; L80-V84 WeakPolarHBondContact O-CG2 3.31Å; L80-V84 PolarHBondContact O-N 3.33Å; L80-N215 WeakPolarHBondContact CA-ND2 3.28Å; L80-A217 HydrophobicContact CD1-CB 3.26Å |
| 81 | L | 97.1 | Very high | 95.9 | Very high | 128 Ų | 128 | 44.9 Ų | 44.9 | 67% | 0.67 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -63.4 | -43.1 | -179.3 | -179 | 61.2 | 0 | 0 | 0 | 111.7 | G79 V84 I85 | G79-L81 PolarHBondContact O-N 3.34Å; L81-V84 PolarHBondContact O-N 3.03Å; L81-I85 HydrophobicContact CD1-CD1 3.85Å; L81-I85 HydrophobicContact CD1-CG1 4.17Å; L81-I85 HydrophobicContact CD2-CD1 4.47Å; L81-I85 HydrophobicContact CG-CD1 3.77Å; L81-I85 HydrophobicContact CG-CG1 4.46Å; L81-I85 WeakPolarHBondContact O-CB 3.41Å; L81-I85 VanDerWaalsContact O-CG1 3.27Å; L81-I85 WeakPolarHBondContact O-CG1 3.25Å; L81-I85 PolarHBondContact O-N 3.39Å |
| 82 | E | 96.7 | Very high | 96.2 | Very high | 82 Ų | 82 | 47.4 Ų | 47.4 | 38% | 0.383 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -59.4 | -48.2 | 176.1 | 178.6 | 178 | -135.8 | 0 | 0 | 110.9 | G79 L80 V84 I85 I86 T274 | G79-E82 PolarHBondContact O-N 3.38Å; L80-E82 PolarHBondContact O-N 2.72Å; E82-V84 PolarHBondContact O-N 3.1Å; E82-I85 PolarHBondContact O-N 3.03Å; E82-I86 HydrophobicContact CG-CD1 3.71Å; E82-I86 HydrophobicContact CG-CG1 4.45Å; E82-I86 WeakPolarHBondContact O-CB 3.46Å; E82-I86 VanDerWaalsContact O-CG1 3.25Å; E82-I86 WeakPolarHBondContact O-CG1 3.38Å; E82-I86 PolarHBondContact O-N 3.14Å; E82-T274 HydrophobicContact CG-CG2 4.21Å |
| 83 | A | 97 | Very high | 96.4 | Very high | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.008 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.3 | -42.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | G79 L80 S87 T213 N215 | G79-A83 WeakPolarHBondContact O-CB 3.45Å; G79-A83 PolarHBondContact O-N 3.47Å; L80-A83 PolarHBondContact O-N 3.03Å; A83-S87 WeakPolarHBondContact O-CB 3.4Å; A83-S87 PolarHBondContact O-N 3.32Å; A83-S87 VanDerWaalsContact O-N 3.14Å; A83-S87 PolarHBondContact O-OG 2.99Å; A83-T213 HydrophobicContact CB-CG2 4.3Å; A83-N215 HydrophobicContact CB-CB 3.64Å |
| 84 | V | 98.4 | Very high | 96.5 | Very high | 43 Ų | 43 | 48.9 Ų | 48.9 | 26% | 0.261 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -65.2 | -48.5 | 176.3 | 170.5 | 0 | 0 | 0 | 0 | 110.8 | L80 L81 E82 I86 S87 V88 A217 V221 | L80-V84 HydrophobicContact CD1-CG2 4.28Å; L80-V84 WeakPolarHBondContact O-CG2 3.31Å; L80-V84 PolarHBondContact O-N 3.33Å; L81-V84 PolarHBondContact O-N 3.03Å; E82-V84 PolarHBondContact O-N 3.1Å; V84-I86 PolarHBondContact O-N 3.08Å; V84-S87 PolarHBondContact O-N 2.86Å; V84-V88 HydrophobicContact CG1-CG2 4.41Å; V84-V88 WeakPolarHBondContact O-CG2 3.39Å; V84-V88 PolarHBondContact O-N 3.33Å; V84-A217 HydrophobicContact CG2-CB 4.13Å; V84-V221 HydrophobicContact CG1-CG2 4.29Å; V84-V221 HydrophobicContact CG2-CG2 4.13Å |
| 85 | I | 98.2 | Very high | 96.6 | Very high | 80 Ų | 80 | 49.5 Ų | 49.5 | 41% | 0.41 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -61.2 | -48.2 | -179.2 | -70.8 | 170.2 | 0 | 0 | 0 | 110.9 | L81 E82 S87 V88 I89 | L81-I85 HydrophobicContact CD1-CD1 3.85Å; L81-I85 HydrophobicContact CD1-CG1 4.17Å; L81-I85 HydrophobicContact CD2-CD1 4.47Å; L81-I85 HydrophobicContact CG-CD1 3.77Å; L81-I85 HydrophobicContact CG-CG1 4.46Å; L81-I85 WeakPolarHBondContact O-CB 3.41Å; L81-I85 VanDerWaalsContact O-CG1 3.27Å; L81-I85 WeakPolarHBondContact O-CG1 3.25Å; L81-I85 PolarHBondContact O-N 3.39Å; E82-I85 PolarHBondContact O-N 3.03Å; I85-S87 VanDerWaalsContact C-N 3.26Å; I85-S87 PolarHBondContact O-N 3.24Å; I85-V88 PolarHBondContact O-N 3.06Å; I85-I89 HydrophobicContact CG2-CD1 3.6Å; I85-I89 HydrophobicContact CG2-CG1 4.31Å; I85-I89 WeakPolarHBondContact O-CG1 3.43Å; I85-I89 PolarHBondContact O-N 3.42Å |
| 86 | I | 97.7 | Very high | 96.7 | Very high | 10 Ų | 10 | 50.3 Ų | 50.3 | 5% | 0.051 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -55 | -45.9 | 177.4 | -73.6 | 171.1 | 0 | 0 | 0 | 110.5 | E82 V84 I89 L90 L209 T213 I271 T272 T274 | E82-I86 HydrophobicContact CG-CD1 3.71Å; E82-I86 HydrophobicContact CG-CG1 4.45Å; E82-I86 WeakPolarHBondContact O-CB 3.46Å; E82-I86 VanDerWaalsContact O-CG1 3.25Å; E82-I86 WeakPolarHBondContact O-CG1 3.38Å; E82-I86 PolarHBondContact O-N 3.14Å; V84-I86 PolarHBondContact O-N 3.08Å; I86-I89 PolarHBondContact O-N 3.24Å; I86-L90 HydrophobicContact CG2-CD1 3.8Å; I86-L90 WeakPolarHBondContact O-CB 3.39Å; I86-L90 PolarHBondContact O-N 2.98Å; I86-L209 HydrophobicContact CG2-CD2 4.28Å; I86-T213 HydrophobicContact CB-CG2 4.45Å; I86-T213 HydrophobicContact CD1-CG2 3.93Å; I86-T213 HydrophobicContact CG2-CG2 4.16Å; I86-I271 HydrophobicContact CB-CG2 4.36Å; I86-I271 WeakPolarHBondContact CD1-O 3.5Å; I86-I271 HydrophobicContact CG1-CG2 3.93Å; I86-I271 HydrophobicContact CG2-CG2 4.07Å; I86-T272 HydrophobicContact CG2-CG2 3.89Å; I86-T274 HydrophobicContact CD1-CG2 3.51Å |
| 87 | S | 97.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.3 | -43.5 | -178.5 | -59.4 | 0 | 0 | 0 | 0 | 112.5 | A83 V84 I85 T91 S218 T222 | A83-S87 WeakPolarHBondContact O-CB 3.4Å; A83-S87 PolarHBondContact O-N 3.32Å; A83-S87 VanDerWaalsContact O-N 3.14Å; A83-S87 PolarHBondContact O-OG 2.99Å; V84-S87 PolarHBondContact O-N 2.86Å; I85-S87 VanDerWaalsContact C-N 3.26Å; I85-S87 PolarHBondContact O-N 3.24Å; S87-T91 WeakPolarHBondContact O-CB 3.29Å; S87-T91 PolarHBondContact O-N 2.9Å; S87-T91 PolarHBondContact O-OG1 3.27Å; S87-S218 WeakPolarHBondContact OG-CA 3.14Å; S87-S218 WeakPolarHBondContact OG-CB 3.49Å; S87-S218 PolarHBondContact OG-O 3.26Å; S87-T222 WeakPolarHBondContact CB-OG1 3.5Å |
| 88 | V | 98.3 | Very high | 97 | Very high | 48 Ų | 48 | 41.3 Ų | 41.3 | 29% | 0.291 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -62.7 | -51 | 176.4 | 172.3 | 0 | 0 | 0 | 0 | 110.2 | V84 I85 T91 L92 V221 L225 | V84-V88 HydrophobicContact CG1-CG2 4.41Å; V84-V88 WeakPolarHBondContact O-CG2 3.39Å; V84-V88 PolarHBondContact O-N 3.33Å; I85-V88 PolarHBondContact O-N 3.06Å; V88-T91 PolarHBondContact O-N 2.86Å; V88-L92 HydrophobicContact CG1-CD1 3.69Å; V88-L92 HydrophobicContact CG1-CG 4.29Å; V88-L92 WeakPolarHBondContact O-CB 3.38Å; V88-L92 VanDerWaalsContact O-CG 3.23Å; V88-L92 WeakPolarHBondContact O-CG 3.24Å; V88-L92 PolarHBondContact O-N 3.36Å; V88-V221 HydrophobicContact CG2-CG1 3.8Å; V88-L225 HydrophobicContact CB-CD1 4.49Å; V88-L225 HydrophobicContact CG2-CD1 4.18Å |
| 89 | I | 98.2 | Very high | 97 | Very high | 76 Ų | 76 | 39.2 Ų | 39.2 | 39% | 0.39 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -60.9 | -55 | -177 | -68.6 | 172.5 | 0 | 0 | 0 | 110.7 | I85 I86 T91 L92 V93 I271 | I85-I89 HydrophobicContact CG2-CD1 3.6Å; I85-I89 HydrophobicContact CG2-CG1 4.31Å; I85-I89 WeakPolarHBondContact O-CG1 3.43Å; I85-I89 PolarHBondContact O-N 3.42Å; I86-I89 PolarHBondContact O-N 3.24Å; I89-T91 VanDerWaalsContact C-N 3.29Å; I89-T91 PolarHBondContact O-N 2.83Å; I89-L92 PolarHBondContact O-N 3.4Å; I89-V93 HydrophobicContact CG2-CG2 4.39Å; I89-V93 VanDerWaalsContact O-CG2 3.29Å; I89-V93 WeakPolarHBondContact O-CG2 3.5Å; I89-V93 PolarHBondContact O-N 3.22Å; I89-I271 HydrophobicContact CG2-CD1 4.21Å |
| 90 | L | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.9 | -37.7 | -176.4 | -74.2 | 172 | 0 | 0 | 0 | 111.6 | I86 V93 M94 Y205 L209 L267 L268 I271 T272 | I86-L90 HydrophobicContact CG2-CD1 3.8Å; I86-L90 WeakPolarHBondContact O-CB 3.39Å; I86-L90 PolarHBondContact O-N 2.98Å; L90-V93 PolarHBondContact O-N 2.86Å; L90-M94 WeakPolarHBondContact O-CB 3.23Å; L90-M94 PolarHBondContact O-N 3.46Å; L90-Y205 VanDerWaalsContact CB-OH 3.23Å; L90-Y205 WeakPolarHBondContact CB-OH 3.16Å; L90-L209 HydrophobicContact CD1-CD2 3.72Å; L90-L267 HydrophobicContact CD2-CB 4Å; L90-L268 HydrophobicContact CD1-CD1 4.13Å; L90-I271 HydrophobicContact CD1-CB 4.41Å; L90-I271 HydrophobicContact CD1-CG2 4.21Å; L90-I271 HydrophobicContact CD2-CB 4.35Å; L90-I271 HydrophobicContact CD2-CD1 4.08Å; L90-I271 HydrophobicContact CG-CB 4.48Å; L90-I271 HydrophobicContact CG-CG2 4.22Å; L90-T272 HydrophobicContact CD1-CG2 3.69Å |
| 91 | T | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -68.9 | -42.2 | 178.1 | -54.1 | 0 | 0 | 0 | 0 | 111 | S87 V88 I89 V93 M94 Y95 Y205 L225 | S87-T91 WeakPolarHBondContact O-CB 3.29Å; S87-T91 PolarHBondContact O-N 2.9Å; S87-T91 PolarHBondContact O-OG1 3.27Å; V88-T91 PolarHBondContact O-N 2.86Å; I89-T91 VanDerWaalsContact C-N 3.29Å; I89-T91 PolarHBondContact O-N 2.83Å; T91-V93 VanDerWaalsContact C-N 3.35Å; T91-V93 PolarHBondContact O-N 3.21Å; T91-M94 HydrophobicContact CG2-CE 4.42Å; T91-M94 WeakPolarHBondContact O-CB 3.3Å; T91-M94 PolarHBondContact O-N 3.36Å; T91-Y95 HydrophobicContact CG2-CD2 3.75Å; T91-Y95 HydrophobicContact CG2-CE2 3.91Å; T91-Y95 VanDerWaalsContact O-CD2 3.3Å; T91-Y95 WeakPolarHBondContact O-CD2 3.38Å; T91-Y95 PolarHBondContact O-N 2.98Å; T91-Y205 PolarHBondContact N-OH 3.25Å; T91-Y205 PolarHBondContact OG1-OH 3.3Å; T91-L225 HydrophobicContact CG2-CB 3.78Å; T91-L225 HydrophobicContact CG2-CD1 4.1Å |
| 92 | L | 97.3 | Very high | 96.6 | Very high | 70 Ų | 70 | 32.7 Ų | 32.7 | 37% | 0.366 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -64.6 | -37 | 174.9 | -70.7 | 176.5 | 0 | 0 | 0 | 112.7 | V88 I89 Y95 F96 V99 F229 | V88-L92 HydrophobicContact CG1-CD1 3.69Å; V88-L92 HydrophobicContact CG1-CG 4.29Å; V88-L92 WeakPolarHBondContact O-CB 3.38Å; V88-L92 VanDerWaalsContact O-CG 3.23Å; V88-L92 WeakPolarHBondContact O-CG 3.24Å; V88-L92 PolarHBondContact O-N 3.36Å; I89-L92 PolarHBondContact O-N 3.4Å; L92-Y95 CarbonylContact O-C 3.58Å; L92-Y95 PolarHBondContact O-N 3.5Å; L92-F96 WeakPolarHBondContact O-CA 3.46Å; L92-F96 PolarHBondContact O-N 3.32Å; L92-V99 HydrophobicContact CD2-CG2 4.29Å; L92-F229 HydrophobicContact CD2-CE2 3.9Å; L92-F229 HydrophobicContact CD2-CZ 3.66Å |
| 93 | V | 98.1 | Very high | 96.2 | Very high | 29 Ų | 29 | 32.4 Ų | 32.4 | 18% | 0.176 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64 | -44.2 | 173.4 | 171.8 | 0 | 0 | 0 | 0 | 110.5 | I89 L90 T91 Y95 F96 G260 L263 W264 L267 | I89-V93 HydrophobicContact CG2-CG2 4.39Å; I89-V93 VanDerWaalsContact O-CG2 3.29Å; I89-V93 WeakPolarHBondContact O-CG2 3.5Å; I89-V93 PolarHBondContact O-N 3.22Å; L90-V93 PolarHBondContact O-N 2.86Å; T91-V93 VanDerWaalsContact C-N 3.35Å; T91-V93 PolarHBondContact O-N 3.21Å; V93-Y95 VanDerWaalsContact C-N 3.3Å; V93-Y95 PolarHBondContact O-N 3.43Å; V93-F96 WeakPolarHBondContact O-CB 3.25Å; V93-F96 PolarHBondContact O-N 3.15Å; V93-F96 VanDerWaalsContact O-N 3.13Å; V93-G260 CarbonylContact O-C 3.55Å; V93-G260 WeakPolarHBondContact O-CA 3.22Å; V93-L263 HydrophobicContact CG1-CB 3.67Å; V93-W264 HydrophobicContact CG1-CB 4.11Å; V93-L267 HydrophobicContact CG1-CD1 4.41Å |
| 94 | M | 97.7 | Very high | 95.9 | Very high | 41 Ų | 41 | 36.4 Ų | 36.4 | 20% | 0.202 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.4 | -41.3 | 175.9 | -172.2 | 179.1 | 68.8 | 0 | 0 | 111.6 | L90 T91 F96 Y205 L261 W264 | L90-M94 WeakPolarHBondContact O-CB 3.23Å; L90-M94 PolarHBondContact O-N 3.46Å; T91-M94 HydrophobicContact CG2-CE 4.42Å; T91-M94 WeakPolarHBondContact O-CB 3.3Å; T91-M94 PolarHBondContact O-N 3.36Å; M94-F96 VanDerWaalsContact C-N 3.29Å; M94-F96 PolarHBondContact O-N 3.19Å; M94-Y205 HydrophobicContact CE-CD1 4.22Å; M94-Y205 HydrophobicContact CE-CE1 3.96Å; M94-Y205 HydrophobicContact SD-CD1 4.29Å; M94-Y205 HydrophobicContact SD-CE1 4.2Å; M94-L261 HydrophobicContact CG-CD2 4.19Å; M94-W264 HydrophobicContact CB-CB 4.19Å; M94-W264 HydrophobicContact CB-CG 3.95Å; M94-W264 HydrophobicContact CG-CG 4.26Å |
| 95 | Y | 96.9 | Very high | 95.3 | Very high | 19 Ų | 19 | 36.4 Ų | 36.4 | 8% | 0.075 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | 14.3 | 177 | -78.5 | -81.6 | 0 | 0 | 0 | 113.9 | T91 L92 V93 G97 V98 V99 F229 G230 P232 | T91-Y95 HydrophobicContact CG2-CD2 3.75Å; T91-Y95 HydrophobicContact CG2-CE2 3.91Å; T91-Y95 VanDerWaalsContact O-CD2 3.3Å; T91-Y95 WeakPolarHBondContact O-CD2 3.38Å; T91-Y95 PolarHBondContact O-N 2.98Å; L92-Y95 CarbonylContact O-C 3.58Å; L92-Y95 PolarHBondContact O-N 3.5Å; V93-Y95 VanDerWaalsContact C-N 3.3Å; V93-Y95 PolarHBondContact O-N 3.43Å; Y95-G97 VanDerWaalsContact C-N 3.26Å; Y95-G97 PolarHBondContact O-N 2.88Å; Y95-G97 VanDerWaalsContact O-N 3.12Å; Y95-V98 HydrophobicContact CD1-CB 4.1Å; Y95-V98 HydrophobicContact CD1-CG2 3.88Å; Y95-V98 WeakPolarHBondContact O-CA 3.35Å; Y95-V98 WeakPolarHBondContact O-CB 3.29Å; Y95-V98 PolarHBondContact O-N 2.93Å; Y95-V99 WeakPolarHBondContact O-CG2 3.49Å; Y95-V99 PolarHBondContact O-N 2.97Å; Y95-F229 HydrophobicContact CD1-CB 3.51Å; Y95-F229 HydrophobicContact CD1-CD1 4.49Å; Y95-F229 HydrophobicContact CD1-CD2 4.16Å; Y95-F229 AromaticContact CD1-CG 3.82Å; Y95-F229 HydrophobicContact CD1-CG 3.82Å; Y95-F229 HydrophobicContact CD2-CB 4.4Å; Y95-F229 AromaticContact CD2-CD2 3.78Å; Y95-F229 HydrophobicContact CD2-CD2 3.78Å; Y95-F229 HydrophobicContact CD2-CE2 4.44Å; Y95-F229 HydrophobicContact CD2-CG 4.29Å; Y95-F229 HydrophobicContact CE1-CB 3.4Å; Y95-F229 HydrophobicContact CE1-CG 4.18Å; Y95-F229 HydrophobicContact CE2-CB 4.31Å; Y95-F229 HydrophobicContact CE2-CD2 4.18Å; Y95-F229 HydrophobicContact CG-CB 4.04Å; Y95-F229 AromaticContact CG-CD2 3.78Å; Y95-F229 HydrophobicContact CG-CD2 3.78Å; Y95-F229 HydrophobicContact CG-CE2 4.42Å; Y95-F229 AromaticContact CG-CG 3.9Å; Y95-F229 HydrophobicContact CG-CG 3.9Å; Y95-G230 VanDerWaalsContact CE1-O 3.29Å; Y95-G230 WeakPolarHBondContact CE1-O 3.49Å; Y95-G230 PolarHBondContact OH-O 2.89Å; Y95-G230 VanDerWaalsContact OH-O 3.05Å; Y95-P232 HydrophobicContact CD1-CG 4.2Å; Y95-P232 HydrophobicContact CE1-CG 3.78Å |
| 96 | F | 97.3 | Very high | 94.4 | Very high | 72 Ų | 72 | 34.3 Ų | 34.3 | 32% | 0.316 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -53.5 | -41.1 | -173.8 | 178.7 | -111.6 | 0 | 0 | 0 | 113.3 | L92 V93 M94 V99 L100 S256 L259 | L92-F96 WeakPolarHBondContact O-CA 3.46Å; L92-F96 PolarHBondContact O-N 3.32Å; V93-F96 WeakPolarHBondContact O-CB 3.25Å; V93-F96 PolarHBondContact O-N 3.15Å; V93-F96 VanDerWaalsContact O-N 3.13Å; M94-F96 VanDerWaalsContact C-N 3.29Å; M94-F96 PolarHBondContact O-N 3.19Å; F96-V99 PolarHBondContact O-N 3.07Å; F96-L100 HydrophobicContact CD1-CD1 3.93Å; F96-L100 HydrophobicContact CD2-CD1 4.45Å; F96-L100 HydrophobicContact CD2-CG 4.45Å; F96-L100 HydrophobicContact CE1-CD1 3.34Å; F96-L100 HydrophobicContact CE1-CG 4.3Å; F96-L100 HydrophobicContact CE2-CD1 3.94Å; F96-L100 HydrophobicContact CE2-CD2 4.37Å; F96-L100 HydrophobicContact CE2-CG 4.08Å; F96-L100 HydrophobicContact CG-CD1 4.45Å; F96-L100 HydrophobicContact CZ-CD1 3.36Å; F96-L100 HydrophobicContact CZ-CD2 4.36Å; F96-L100 HydrophobicContact CZ-CG 4.01Å; F96-L100 WeakPolarHBondContact O-CG 3.41Å; F96-L100 PolarHBondContact O-N 3.47Å; F96-S256 WeakPolarHBondContact CD1-O 3.2Å; F96-L259 HydrophobicContact CE1-CD2 4.01Å |
| 97 | G | 96.2 | Very high | 93.3 | Very high | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.01 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.2 | -40.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y95 D101 | Y95-G97 VanDerWaalsContact C-N 3.26Å; Y95-G97 PolarHBondContact O-N 2.88Å; Y95-G97 VanDerWaalsContact O-N 3.12Å; G97-D101 PolarHBondContact O-N 2.93Å |
| 98 | V | 95.2 | Very high | 92 | Very high | 18 Ų | 18 | 40.9 Ų | 40.9 | 11% | 0.109 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -68 | -46 | 176.8 | 177.9 | 0 | 0 | 0 | 0 | 110.3 | Y95 L100 D101 D102 F229 P232 | Y95-V98 HydrophobicContact CD1-CB 4.1Å; Y95-V98 HydrophobicContact CD1-CG2 3.88Å; Y95-V98 WeakPolarHBondContact O-CA 3.35Å; Y95-V98 WeakPolarHBondContact O-CB 3.29Å; Y95-V98 PolarHBondContact O-N 2.93Å; V98-L100 VanDerWaalsContact C-N 3.3Å; V98-L100 PolarHBondContact O-N 2.83Å; V98-D101 WeakPolarHBondContact O-CB 3.32Å; V98-D101 PolarHBondContact O-N 3.46Å; V98-D101 VanDerWaalsContact O-N 3.08Å; V98-D102 PolarHBondContact O-N 2.93Å; V98-F229 HydrophobicContact CG1-CD1 4.1Å; V98-P232 HydrophobicContact CG2-CB 3.75Å; V98-P232 HydrophobicContact CG2-CG 4.07Å |
| 99 | V | 94.2 | Very high | 90.8 | Very high | 22 Ų | 22 | 44.8 Ų | 44.8 | 13% | 0.133 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -57 | -45.1 | 176.9 | 170.5 | 0 | 0 | 0 | 0 | 111 | L92 Y95 F96 D102 I103 M108 F229 | L92-V99 HydrophobicContact CD2-CG2 4.29Å; Y95-V99 WeakPolarHBondContact O-CG2 3.49Å; Y95-V99 PolarHBondContact O-N 2.97Å; F96-V99 PolarHBondContact O-N 3.07Å; V99-D102 PolarHBondContact O-N 3.48Å; V99-I103 HydrophobicContact CG1-CD1 3.96Å; V99-I103 VanDerWaalsContact O-CG1 3.23Å; V99-I103 WeakPolarHBondContact O-CG1 3.39Å; V99-I103 PolarHBondContact O-N 3.5Å; V99-M108 HydrophobicContact CG1-CE 3.75Å; V99-F229 HydrophobicContact CG2-CE1 3.95Å; V99-F229 HydrophobicContact CG2-CZ 4.03Å |
| 100 | L | 93.8 | Very high | 89.7 | Confident | 25 Ų | 25 | 43.6 Ų | 43.6 | 13% | 0.131 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.8 | -41.3 | 176.2 | -74.8 | 176.4 | 0 | 0 | 0 | 112.1 | F96 V98 D102 I103 F104 F252 | F96-L100 HydrophobicContact CD1-CD1 3.93Å; F96-L100 HydrophobicContact CD2-CD1 4.45Å; F96-L100 HydrophobicContact CD2-CG 4.45Å; F96-L100 HydrophobicContact CE1-CD1 3.34Å; F96-L100 HydrophobicContact CE1-CG 4.3Å; F96-L100 HydrophobicContact CE2-CD1 3.94Å; F96-L100 HydrophobicContact CE2-CD2 4.37Å; F96-L100 HydrophobicContact CE2-CG 4.08Å; F96-L100 HydrophobicContact CG-CD1 4.45Å; F96-L100 HydrophobicContact CZ-CD1 3.36Å; F96-L100 HydrophobicContact CZ-CD2 4.36Å; F96-L100 HydrophobicContact CZ-CG 4.01Å; F96-L100 WeakPolarHBondContact O-CG 3.41Å; F96-L100 PolarHBondContact O-N 3.47Å; V98-L100 VanDerWaalsContact C-N 3.3Å; V98-L100 PolarHBondContact O-N 2.83Å; L100-D102 VanDerWaalsContact C-N 3.35Å; L100-D102 PolarHBondContact O-N 2.69Å; L100-I103 HydrophobicContact CD2-CD1 4.3Å; L100-I103 PolarHBondContact O-N 2.83Å; L100-F104 HydrophobicContact CB-CD2 4.34Å; L100-F104 HydrophobicContact CB-CE2 4.21Å; L100-F104 HydrophobicContact CD2-CE2 4.05Å; L100-F104 WeakPolarHBondContact O-CD2 3.46Å; L100-F104 PolarHBondContact O-N 3.44Å; L100-F252 HydrophobicContact CB-CE1 4.46Å; L100-F252 HydrophobicContact CD1-CE1 4.22Å; L100-F252 HydrophobicContact CD1-CZ 3.74Å |
| 101 | D | 92.9 | Very high | 88.5 | Confident | 10 Ų | 10 | 46 Ų | 46 | 5% | 0.053 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -60.5 | -44.8 | 177.5 | -170.6 | 32.1 | 0 | 0 | 0 | 111.9 | G97 V98 F104 S105 A237 R240 R244 | G97-D101 PolarHBondContact O-N 2.93Å; V98-D101 WeakPolarHBondContact O-CB 3.32Å; V98-D101 PolarHBondContact O-N 3.46Å; V98-D101 VanDerWaalsContact O-N 3.08Å; D101-F104 PolarHBondContact O-N 3.1Å; D101-S105 VanDerWaalsContact O-CB 3.27Å; D101-S105 WeakPolarHBondContact O-CB 3.17Å; D101-S105 PolarHBondContact O-N 3.46Å; D101-S105 PolarHBondContact O-OG 3.4Å; D101-A237 HydrophobicContact CB-CB 4.38Å; D101-A237 WeakPolarHBondContact OD2-CA 3.46Å; D101-A237 WeakPolarHBondContact OD2-CB 3.34Å; D101-R240 IonicContact OD1-NE 3.49Å; D101-R240 IonicContact OD2-CZ 2.95Å; D101-R240 IonicContact OD2-NE 3.6Å; D101-R240 PolarHBondContact OD2-NE 3.43Å; D101-R240 IonicContact OD2-NH2 2.77Å; D101-R240 PolarHBondContact OD2-NH2 3Å; D101-R244 IonicContact OD1-CZ 2.93Å; D101-R244 IonicContact OD1-NH1 3.62Å; D101-R244 IonicContact OD1-NH2 3.91Å; D101-R244 PolarHBondContact OD1-NH2 3.07Å |
| 102 | D | 89.9 | Confident | 87.5 | Confident | 39 Ų | 39 | 52.7 Ų | 52.7 | 21% | 0.209 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.4 | -41.6 | 175.2 | -70.3 | -10.2 | 0 | 0 | 0 | 111.8 | V98 V99 L100 F104 S105 G106 D107 M108 | V98-D102 PolarHBondContact O-N 2.93Å; V99-D102 PolarHBondContact O-N 3.48Å; L100-D102 VanDerWaalsContact C-N 3.35Å; L100-D102 PolarHBondContact O-N 2.69Å; D102-F104 PolarHBondContact O-N 3.11Å; D102-S105 PolarHBondContact O-N 2.69Å; D102-G106 PolarHBondContact O-N 3.49Å; D102-D107 HydrophobicContact CB-CB 4.39Å; D102-D107 PolarHBondContact O-N 3.49Å; D102-M108 HydrophobicContact CB-CG 4.33Å; D102-M108 PolarHBondContact O-N 3.38Å |
| 103 | I | 89.6 | Confident | 86.7 | Confident | 77 Ų | 77 | 52.9 Ų | 52.9 | 40% | 0.395 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -57.1 | -52.3 | 174.9 | -72 | 167.1 | 0 | 0 | 0 | 110.1 | V99 L100 S105 G106 M108 | V99-I103 HydrophobicContact CG1-CD1 3.96Å; V99-I103 VanDerWaalsContact O-CG1 3.23Å; V99-I103 WeakPolarHBondContact O-CG1 3.39Å; V99-I103 PolarHBondContact O-N 3.5Å; L100-I103 HydrophobicContact CD2-CD1 4.3Å; L100-I103 PolarHBondContact O-N 2.83Å; I103-S105 VanDerWaalsContact C-N 3.29Å; I103-S105 PolarHBondContact O-N 2.98Å; I103-G106 PolarHBondContact O-N 3.12Å; I103-M108 HydrophobicContact CB-CG 4.37Å; I103-M108 HydrophobicContact CD1-CE 4.35Å; I103-M108 HydrophobicContact CG1-CB 4.22Å; I103-M108 HydrophobicContact CG1-CE 4.02Å; I103-M108 HydrophobicContact CG1-CG 3.58Å |
| 104 | F | 89.9 | Confident | 85.9 | Confident | 84 Ų | 84 | 56.1 Ų | 56.1 | 37% | 0.368 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -77.2 | -17.6 | -174.4 | -68.3 | -60.9 | 0 | 0 | 0 | 113.3 | L100 D101 D102 R244 W245 F252 | L100-F104 HydrophobicContact CB-CD2 4.34Å; L100-F104 HydrophobicContact CB-CE2 4.21Å; L100-F104 HydrophobicContact CD2-CE2 4.05Å; L100-F104 WeakPolarHBondContact O-CD2 3.46Å; L100-F104 PolarHBondContact O-N 3.44Å; D101-F104 PolarHBondContact O-N 3.1Å; D102-F104 PolarHBondContact O-N 3.11Å; F104-R244 PolarHBondContact O-NH1 3.49Å; F104-W245 HydrophobicContact CB-CH2 3.98Å; F104-W245 AromaticContact CD1-CH2 3.44Å; F104-W245 HydrophobicContact CD1-CH2 3.44Å; F104-W245 VanDerWaalsContact CD1-CH2 3.44Å; F104-W245 AromaticContact CD1-CZ2 3.85Å; F104-W245 HydrophobicContact CD1-CZ2 3.85Å; F104-W245 AromaticContact CD2-CH2 3.73Å; F104-W245 HydrophobicContact CD2-CH2 3.73Å; F104-W245 HydrophobicContact CD2-CZ3 4.26Å; F104-W245 AromaticContact CE1-CH2 3.7Å; F104-W245 HydrophobicContact CE1-CH2 3.7Å; F104-W245 HydrophobicContact CE1-CZ2 4.18Å; F104-W245 HydrophobicContact CE2-CH2 4.02Å; F104-W245 AromaticContact CG-CH2 3.45Å; F104-W245 HydrophobicContact CG-CH2 3.45Å; F104-W245 VanDerWaalsContact CG-CH2 3.45Å; F104-W245 HydrophobicContact CG-CZ2 4.21Å; F104-W245 HydrophobicContact CG-CZ3 4.33Å; F104-W245 AromaticContact CZ-CH2 4Å; F104-W245 HydrophobicContact CZ-CH2 4Å; F104-F252 AromaticContact CD2-CE1 3.98Å; F104-F252 HydrophobicContact CD2-CE1 3.98Å; F104-F252 AromaticContact CE2-CE1 3.49Å; F104-F252 HydrophobicContact CE2-CE1 3.49Å; F104-F252 VanDerWaalsContact CE2-CE1 3.49Å; F104-F252 AromaticContact CE2-CZ 3.59Å; F104-F252 HydrophobicContact CE2-CZ 3.59Å; F104-F252 HydrophobicContact CZ-CE1 4.42Å; F104-F252 HydrophobicContact CZ-CZ 4.21Å |
| 105 | S | 86.3 | Confident | 85.1 | Confident | 43 Ų | 43 | 59.2 Ų | 59.2 | 30% | 0.301 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -81.3 | -10 | 174.3 | -60.5 | 0 | 0 | 0 | 0 | 111.2 | D101 D102 I103 D107 R244 | D101-S105 VanDerWaalsContact O-CB 3.27Å; D101-S105 WeakPolarHBondContact O-CB 3.17Å; D101-S105 PolarHBondContact O-N 3.46Å; D101-S105 PolarHBondContact O-OG 3.4Å; D102-S105 PolarHBondContact O-N 2.69Å; I103-S105 VanDerWaalsContact C-N 3.29Å; I103-S105 PolarHBondContact O-N 2.98Å; S105-D107 VanDerWaalsContact C-N 3.26Å; S105-D107 VanDerWaalsContact CB-OD2 3.25Å; S105-D107 WeakPolarHBondContact CB-OD2 3.38Å; S105-R244 PolarHBondContact OG-NH1 2.83Å; S105-R244 VanDerWaalsContact OG-NH1 3.12Å |
| 106 | G | 78.7 | Confident | 84.4 | Confident | 37 Ų | 37 | 61.1 Ų | 61.1 | 38% | 0.381 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.6 | 0.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | D102 I103 M108 L109 | D102-G106 PolarHBondContact O-N 3.49Å; I103-G106 PolarHBondContact O-N 3.12Å; G106-M108 VanDerWaalsContact C-N 3.26Å; G106-M108 PolarHBondContact O-N 3.05Å; G106-L109 PolarHBondContact O-N 2.89Å |
| 107 | D | 74.5 | Confident | 83.7 | Confident | 86 Ų | 86 | 61.7 Ų | 61.7 | 46% | 0.46 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -23.5 | -176.7 | -64.7 | -41.6 | 0 | 0 | 0 | 112 | D102 S105 L109 V110 | D102-D107 HydrophobicContact CB-CB 4.39Å; D102-D107 PolarHBondContact O-N 3.49Å; S105-D107 VanDerWaalsContact C-N 3.26Å; S105-D107 VanDerWaalsContact CB-OD2 3.25Å; S105-D107 WeakPolarHBondContact CB-OD2 3.38Å; D107-L109 VanDerWaalsContact C-N 3.29Å; D107-L109 PolarHBondContact O-N 3.33Å; D107-V110 WeakPolarHBondContact O-CB 3.16Å; D107-V110 PolarHBondContact O-N 3.29Å |
| 108 | M | 70.6 | Confident | 83 | Confident | 62 Ų | 62 | 66.5 Ų | 66.5 | 31% | 0.305 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -65.6 | -26.7 | 176.7 | -93.7 | -84.6 | -154.4 | 0 | 0 | 114.6 | V99 D102 I103 G106 V110 I111 | V99-M108 HydrophobicContact CG1-CE 3.75Å; D102-M108 HydrophobicContact CB-CG 4.33Å; D102-M108 PolarHBondContact O-N 3.38Å; I103-M108 HydrophobicContact CB-CG 4.37Å; I103-M108 HydrophobicContact CD1-CE 4.35Å; I103-M108 HydrophobicContact CG1-CB 4.22Å; I103-M108 HydrophobicContact CG1-CE 4.02Å; I103-M108 HydrophobicContact CG1-CG 3.58Å; G106-M108 VanDerWaalsContact C-N 3.26Å; G106-M108 PolarHBondContact O-N 3.05Å; M108-V110 PolarHBondContact O-N 2.89Å; M108-I111 WeakPolarHBondContact O-CB 3.45Å; M108-I111 PolarHBondContact O-N 3.38Å; M108-I111 VanDerWaalsContact O-N 3.08Å; M108-I111 HydrophobicContact SD-CB 4.5Å; M108-I111 HydrophobicContact SD-CD1 3.64Å; M108-I111 HydrophobicContact SD-CG1 4.38Å |
| 109 | L | 72.2 | Confident | 82.3 | Confident | 129 Ų | 129 | 71.1 Ų | 71.1 | 68% | 0.675 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -65.2 | -28.3 | 173.2 | -71.9 | 173.8 | 0 | 0 | 0 | 111.3 | G106 D107 I111 L112 D113 | G106-L109 PolarHBondContact O-N 2.89Å; D107-L109 VanDerWaalsContact C-N 3.29Å; D107-L109 PolarHBondContact O-N 3.33Å; L109-I111 PolarHBondContact O-N 3.41Å; L109-L112 HydrophobicContact CD2-CD1 4.46Å; L109-L112 WeakPolarHBondContact O-CB 3.48Å; L109-L112 PolarHBondContact O-N 3.11Å; L109-D113 PolarHBondContact O-N 2.87Å |
| 110 | V | 75.8 | Confident | 81.6 | Confident | 52 Ų | 52 | 73.7 Ų | 73.7 | 32% | 0.315 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -66.3 | -28.8 | 174.9 | -176.7 | 0 | 0 | 0 | 0 | 111.1 | D107 M108 L112 D113 Y116 | D107-V110 WeakPolarHBondContact O-CB 3.16Å; D107-V110 PolarHBondContact O-N 3.29Å; M108-V110 PolarHBondContact O-N 2.89Å; V110-L112 PolarHBondContact O-N 2.95Å; V110-D113 WeakPolarHBondContact O-CB 3.42Å; V110-D113 PolarHBondContact O-N 3.33Å; V110-Y116 HydrophobicContact CG1-CD1 3.91Å; V110-Y116 HydrophobicContact CG1-CD2 3.11Å; V110-Y116 HydrophobicContact CG1-CE1 4.26Å; V110-Y116 HydrophobicContact CG1-CE2 3.48Å; V110-Y116 VanDerWaalsContact CG1-CE2 3.48Å; V110-Y116 HydrophobicContact CG1-CG 3.31Å; V110-Y116 WeakPolarHBondContact O-CD1 3.49Å |
| 111 | I | 72.6 | Confident | 80.8 | Confident | 51 Ų | 51 | 77.4 Ų | 77.4 | 26% | 0.262 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -67.1 | -24.1 | 172.6 | -61.4 | -172.1 | 0 | 0 | 0 | 111.8 | M108 L109 D113 W117 F228 | M108-I111 WeakPolarHBondContact O-CB 3.45Å; M108-I111 PolarHBondContact O-N 3.38Å; M108-I111 VanDerWaalsContact O-N 3.08Å; M108-I111 HydrophobicContact SD-CB 4.5Å; M108-I111 HydrophobicContact SD-CD1 3.64Å; M108-I111 HydrophobicContact SD-CG1 4.38Å; L109-I111 PolarHBondContact O-N 3.41Å; I111-D113 VanDerWaalsContact C-N 3.35Å; I111-W117 HydrophobicContact CG2-CZ2 4.02Å; I111-W117 PolarHBondContact O-NE1 3.34Å; I111-F228 HydrophobicContact CD1-CZ 4.19Å |
| 112 | L | 77 | Confident | 80.1 | Confident | 139 Ų | 139 | 84.8 Ų | 84.8 | 73% | 0.728 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | -9.3 | 172.7 | -59.1 | 177.8 | 0 | 0 | 0 | 112.6 | L109 V110 V114 | L109-L112 HydrophobicContact CD2-CD1 4.46Å; L109-L112 WeakPolarHBondContact O-CB 3.48Å; L109-L112 PolarHBondContact O-N 3.11Å; V110-L112 PolarHBondContact O-N 2.95Å; L112-V114 PolarHBondContact O-N 3.42Å |
| 113 | D | 81.2 | Confident | 80 | Confident | 74 Ų | 74 | 86.1 Ų | 86.1 | 40% | 0.396 | 44% | 0.437 | S | S | . | . | trans | -78.1 | 115.5 | 179.4 | -174 | -3.8 | 0 | 0 | 0 | 111.3 | L109 V110 I111 Q115 Y116 W117 | L109-D113 PolarHBondContact O-N 2.87Å; V110-D113 WeakPolarHBondContact O-CB 3.42Å; V110-D113 PolarHBondContact O-N 3.33Å; I111-D113 VanDerWaalsContact C-N 3.35Å; D113-Q115 VanDerWaalsContact C-N 3.26Å; D113-Q115 PolarHBondContact O-N 3.47Å; D113-Q115 WeakPolarHBondContact OD1-CB 3.46Å; D113-Q115 PolarHBondContact OD1-N 3.2Å; D113-Y116 WeakPolarHBondContact O-CB 3.21Å; D113-Y116 PolarHBondContact O-N 3.12Å; D113-W117 VanDerWaalsContact O-CD1 3.28Å; D113-W117 PolarHBondContact O-N 3.15Å | ||
| 114 | V | 80.7 | Confident | 80.1 | Confident | 98 Ų | 98 | 87.1 Ų | 87.1 | 59% | 0.594 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -62.4 | -33.3 | 177.4 | 177.3 | 0 | 0 | 0 | 0 | 111.9 | L112 W117 K118 | L112-V114 PolarHBondContact O-N 3.42Å; V114-W117 PolarHBondContact O-N 2.92Å; V114-K118 PolarHBondContact O-N 3.42Å |
| 115 | Q | 82.2 | Confident | 80.2 | Confident | 106 Ų | 106 | 85.8 Ų | 85.8 | 50% | 0.495 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -71.1 | -40.9 | -179.9 | -63.8 | -61.2 | -13.9 | 0 | 0 | 111.4 | D113 W117 K118 D119 | D113-Q115 VanDerWaalsContact C-N 3.26Å; D113-Q115 PolarHBondContact O-N 3.47Å; D113-Q115 WeakPolarHBondContact OD1-CB 3.46Å; D113-Q115 PolarHBondContact OD1-N 3.2Å; Q115-W117 VanDerWaalsContact C-N 3.26Å; Q115-W117 PolarHBondContact O-N 3.18Å; Q115-K118 PolarHBondContact O-N 3.07Å; Q115-K118 VanDerWaalsContact O-N 3.13Å; Q115-D119 PolarHBondContact O-N 3.17Å |
| 116 | Y | 82.1 | Confident | 80.4 | Confident | 59 Ų | 59 | 84.4 Ų | 84.4 | 23% | 0.231 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -53.3 | -45.9 | 172.1 | 173.8 | -98.8 | 0 | 0 | 0 | 111.9 | V110 D113 R120 | V110-Y116 HydrophobicContact CG1-CD1 3.91Å; V110-Y116 HydrophobicContact CG1-CD2 3.11Å; V110-Y116 HydrophobicContact CG1-CE1 4.26Å; V110-Y116 HydrophobicContact CG1-CE2 3.48Å; V110-Y116 VanDerWaalsContact CG1-CE2 3.48Å; V110-Y116 HydrophobicContact CG1-CG 3.31Å; V110-Y116 WeakPolarHBondContact O-CD1 3.49Å; D113-Y116 WeakPolarHBondContact O-CB 3.21Å; D113-Y116 PolarHBondContact O-N 3.12Å; Y116-R120 PolarHBondContact O-N 3Å; Y116-R120 PolarHBondContact OH-NE 3.03Å; Y116-R120 PolarHBondContact OH-NH2 3.34Å |
| 117 | W | 82 | Confident | 81 | Confident | 83 Ų | 83 | 85.5 Ų | 85.5 | 31% | 0.314 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -71.2 | -38 | 177 | -73.6 | 109 | 0 | 0 | 0 | 113.2 | I111 D113 V114 Q115 D119 R120 I121 F228 | I111-W117 HydrophobicContact CG2-CZ2 4.02Å; I111-W117 PolarHBondContact O-NE1 3.34Å; D113-W117 VanDerWaalsContact O-CD1 3.28Å; D113-W117 PolarHBondContact O-N 3.15Å; V114-W117 PolarHBondContact O-N 2.92Å; Q115-W117 VanDerWaalsContact C-N 3.26Å; Q115-W117 PolarHBondContact O-N 3.18Å; W117-D119 VanDerWaalsContact C-N 3.34Å; W117-D119 PolarHBondContact O-N 2.64Å; W117-R120 PolarHBondContact O-N 2.94Å; W117-I121 HydrophobicContact CB-CD1 4.21Å; W117-I121 VanDerWaalsContact O-CB 3.28Å; W117-I121 WeakPolarHBondContact O-CB 3.26Å; W117-I121 WeakPolarHBondContact O-CD1 3.34Å; W117-I121 WeakPolarHBondContact O-CG1 3.23Å; W117-I121 PolarHBondContact O-N 3.34Å; W117-F228 AromaticContact CH2-CE2 3.86Å; W117-F228 HydrophobicContact CH2-CE2 3.86Å; W117-F228 HydrophobicContact CH2-CZ 4.44Å |
| 118 | K | 81.4 | Confident | 81.9 | Confident | 102 Ų | 102 | 83.1 Ų | 83.1 | 44% | 0.443 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -57 | -50.2 | 174.2 | -88.9 | -176.1 | 171.8 | -179.9 | 0 | 110.9 | V114 Q115 R120 I121 F122 | V114-K118 PolarHBondContact O-N 3.42Å; Q115-K118 PolarHBondContact O-N 3.07Å; Q115-K118 VanDerWaalsContact O-N 3.13Å; K118-R120 VanDerWaalsContact C-N 3.28Å; K118-R120 PolarHBondContact O-N 2.99Å; K118-I121 PolarHBondContact O-N 2.82Å; K118-F122 HydrophobicContact CG-CE2 4.42Å; K118-F122 WeakPolarHBondContact O-CD2 3.28Å; K118-F122 PolarHBondContact O-N 3.44Å |
| 119 | D | 80 | Confident | 83 | Confident | 116 Ų | 116 | 82.4 Ų | 82.4 | 62% | 0.62 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -62.3 | -37.7 | -178.5 | -72.1 | -16.3 | 0 | 0 | 0 | 111.4 | Q115 W117 N123 | Q115-D119 PolarHBondContact O-N 3.17Å; W117-D119 VanDerWaalsContact C-N 3.34Å; W117-D119 PolarHBondContact O-N 2.64Å; D119-N123 WeakPolarHBondContact O-CB 3.32Å; D119-N123 PolarHBondContact O-N 3.22Å |
| 120 | R | 80.9 | Confident | 84 | Confident | 75 Ų | 75 | 78.1 Ų | 78.1 | 28% | 0.283 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -73.5 | -44.9 | 174.9 | -77.5 | -170.3 | 168 | -144.7 | 0.8 | 113.6 | Y116 W117 K118 F122 N123 S126 | Y116-R120 PolarHBondContact O-N 3Å; Y116-R120 PolarHBondContact OH-NE 3.03Å; Y116-R120 PolarHBondContact OH-NH2 3.34Å; W117-R120 PolarHBondContact O-N 2.94Å; K118-R120 VanDerWaalsContact C-N 3.28Å; K118-R120 PolarHBondContact O-N 2.99Å; R120-F122 VanDerWaalsContact C-N 3.28Å; R120-F122 PolarHBondContact O-N 3.17Å; R120-N123 PolarHBondContact O-N 3.02Å; R120-N123 VanDerWaalsContact O-N 3.11Å; R120-S126 WeakPolarHBondContact O-CB 3.22Å |
| 121 | I | 76.3 | Confident | 84.9 | Confident | 104 Ų | 104 | 79.3 Ų | 79.3 | 53% | 0.533 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -62.5 | -38.5 | -177.2 | -70.8 | 166.4 | 0 | 0 | 0 | 110.7 | W117 K118 | W117-I121 HydrophobicContact CB-CD1 4.21Å; W117-I121 VanDerWaalsContact O-CB 3.28Å; W117-I121 WeakPolarHBondContact O-CB 3.26Å; W117-I121 WeakPolarHBondContact O-CD1 3.34Å; W117-I121 WeakPolarHBondContact O-CG1 3.23Å; W117-I121 PolarHBondContact O-N 3.34Å; K118-I121 PolarHBondContact O-N 2.82Å |
| 122 | F | 78.1 | Confident | 85.9 | Confident | 164 Ų | 164 | 78 Ų | 78 | 72% | 0.719 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | -2.8 | 178 | -64.5 | -66.4 | 0 | 0 | 0 | 113.9 | K118 R120 | K118-F122 HydrophobicContact CG-CE2 4.42Å; K118-F122 WeakPolarHBondContact O-CD2 3.28Å; K118-F122 PolarHBondContact O-N 3.44Å; R120-F122 VanDerWaalsContact C-N 3.28Å; R120-F122 PolarHBondContact O-N 3.17Å |
| 123 | N | 88.9 | Confident | 86.8 | Confident | 68 Ų | 68 | 72.3 Ų | 72.3 | 36% | 0.364 | 35% | 0.351 | S | S | . | . | trans | -84.7 | 122.1 | 174 | -175 | -30.7 | 0 | 0 | 0 | 110.8 | D119 R120 I125 S126 L127 | D119-N123 WeakPolarHBondContact O-CB 3.32Å; D119-N123 PolarHBondContact O-N 3.22Å; R120-N123 PolarHBondContact O-N 3.02Å; R120-N123 VanDerWaalsContact O-N 3.11Å; N123-I125 PolarHBondContact O-N 3.14Å; N123-I125 VanDerWaalsContact OD1-CB 3.23Å; N123-I125 WeakPolarHBondContact OD1-CB 3.44Å; N123-I125 WeakPolarHBondContact OD1-CG1 3.2Å; N123-I125 PolarHBondContact OD1-N 3.1Å; N123-S126 PolarHBondContact O-N 3.27Å; N123-S126 VanDerWaalsContact O-N 3.12Å; N123-L127 PolarHBondContact O-N 2.68Å | ||
| 124 | W | 90 | Very high | 87.6 | Confident | 97 Ų | 97 | 68.8 Ų | 68.8 | 37% | 0.367 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -55.6 | -32.8 | 177.8 | -73.3 | 100.4 | 0 | 0 | 0 | 113.9 | P30 I33 K34 L127 R128 | P30-W124 HydrophobicContact CB-CB 4.48Å; P30-W124 HydrophobicContact CB-CG 4.27Å; I33-W124 HydrophobicContact CB-CB 4.5Å; I33-W124 HydrophobicContact CD1-CB 3.99Å; I33-W124 HydrophobicContact CG2-CB 4.18Å; I33-W124 HydrophobicContact CG2-CE3 4.44Å; K34-W124 HydrophobicContact CD-CZ2 4.35Å; K34-W124 HydrophobicContact CG-CD2 4.26Å; K34-W124 HydrophobicContact CG-CE3 4.11Å; K34-W124 HydrophobicContact CG-CH2 4.16Å; K34-W124 HydrophobicContact CG-CZ2 4.32Å; K34-W124 HydrophobicContact CG-CZ3 4.06Å; W124-L127 HydrophobicContact CE3-CD2 4.28Å; W124-L127 HydrophobicContact CZ3-CD2 4.14Å; W124-R128 WeakPolarHBondContact O-CB 3.23Å; W124-R128 PolarHBondContact O-N 3.32Å |
| 125 | I | 91.9 | Very high | 88.4 | Confident | 57 Ų | 57 | 67.4 Ų | 67.4 | 29% | 0.292 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -67 | -48.8 | 177.5 | -60.2 | 171.1 | 0 | 0 | 0 | 109.9 | D28 I33 N123 R128 N129 | D28-I125 HydrophobicContact CB-CD1 4.05Å; D28-I125 HydrophobicContact CB-CG1 4.35Å; I33-I125 HydrophobicContact CD1-CB 4.42Å; I33-I125 HydrophobicContact CD1-CG1 3.67Å; N123-I125 PolarHBondContact O-N 3.14Å; N123-I125 VanDerWaalsContact OD1-CB 3.23Å; N123-I125 WeakPolarHBondContact OD1-CB 3.44Å; N123-I125 WeakPolarHBondContact OD1-CG1 3.2Å; N123-I125 PolarHBondContact OD1-N 3.1Å; I125-R128 WeakPolarHBondContact O-CB 3.33Å; I125-R128 PolarHBondContact O-N 2.85Å; I125-N129 WeakPolarHBondContact O-CB 3.33Å; I125-N129 PolarHBondContact O-N 3.39Å; I125-N129 PolarHBondContact O-OD1 3.45Å |
| 126 | S | 90.8 | Very high | 89.1 | Confident | 14 Ų | 14 | 63 Ų | 63 | 10% | 0.098 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -68.1 | -44.2 | -179.9 | -67.7 | 0 | 0 | 0 | 0 | 111.9 | R120 N123 R128 N129 F130 | R120-S126 WeakPolarHBondContact O-CB 3.22Å; N123-S126 PolarHBondContact O-N 3.27Å; N123-S126 VanDerWaalsContact O-N 3.12Å; S126-R128 VanDerWaalsContact C-N 3.3Å; S126-R128 PolarHBondContact O-N 2.87Å; S126-N129 PolarHBondContact O-N 2.98Å; S126-F130 WeakPolarHBondContact O-CB 3.4Å; S126-F130 VanDerWaalsContact O-CD2 3.31Å; S126-F130 WeakPolarHBondContact O-CD2 3.42Å; S126-F130 WeakPolarHBondContact O-CG 3.38Å; S126-F130 PolarHBondContact O-N 3.3Å |
| 127 | L | 91.8 | Very high | 89.8 | Confident | 60 Ų | 60 | 61.8 Ų | 61.8 | 31% | 0.314 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -58.3 | -43.2 | 174.4 | -179.2 | 66 | 0 | 0 | 0 | 111.6 | N123 W124 V131 I132 | N123-L127 PolarHBondContact O-N 2.68Å; W124-L127 HydrophobicContact CE3-CD2 4.28Å; W124-L127 HydrophobicContact CZ3-CD2 4.14Å; L127-V131 HydrophobicContact CD1-CB 4.13Å; L127-V131 HydrophobicContact CD1-CG2 4.14Å; L127-V131 WeakPolarHBondContact O-CB 3.21Å; L127-V131 PolarHBondContact O-N 2.87Å; L127-V131 VanDerWaalsContact O-N 3.14Å; L127-I132 HydrophobicContact CD2-CD1 4.14Å; L127-I132 HydrophobicContact CG-CD1 3.97Å; L127-I132 HydrophobicContact CG-CG1 4.28Å; L127-I132 PolarHBondContact O-N 3.43Å; L127-I132 VanDerWaalsContact O-N 3.1Å |
| 128 | R | 93.5 | Very high | 90.6 | Very high | 35 Ų | 35 | 57.8 Ų | 57.8 | 13% | 0.132 | 28% | 0.284 | C | S | . | . | I | π-helix | trans | -59.4 | -53.1 | 174.1 | 178.3 | -161.9 | 69 | -165.6 | 1.1 | 111 | D28 I33 W124 I125 S126 I132 A133 | D28-R128 IonicContact OD1-CZ 3.78Å; D28-R128 VanDerWaalsContact OD1-CZ 3.29Å; D28-R128 IonicContact OD1-NH1 2.71Å; D28-R128 PolarHBondContact OD1-NH1 3.39Å; D28-R128 IonicContact OD1-NH2 3.69Å; D28-R128 PolarHBondContact OD1-NH2 3.1Å; I33-R128 HydrophobicContact CG2-CB 4.01Å; I33-R128 HydrophobicContact CG2-CG 4.39Å; W124-R128 WeakPolarHBondContact O-CB 3.23Å; W124-R128 PolarHBondContact O-N 3.32Å; I125-R128 WeakPolarHBondContact O-CB 3.33Å; I125-R128 PolarHBondContact O-N 2.85Å; S126-R128 VanDerWaalsContact C-N 3.3Å; S126-R128 PolarHBondContact O-N 2.87Å; R128-I132 PolarHBondContact O-N 3.09Å; R128-A133 VanDerWaalsContact O-CB 3.25Å; R128-A133 WeakPolarHBondContact O-CB 3.28Å; R128-A133 PolarHBondContact O-N 3.48Å |
| 129 | N | 93.4 | Very high | 91.3 | Very high | 48 Ų | 48 | 55.2 Ų | 55.2 | 26% | 0.257 | 28% | 0.275 | S | S | . | . | I | π-helix | trans | -70 | -36.6 | -171.2 | -71.2 | -2 | 0 | 0 | 0 | 113.2 | I125 S126 P134 N227 | I125-N129 WeakPolarHBondContact O-CB 3.33Å; I125-N129 PolarHBondContact O-N 3.39Å; I125-N129 PolarHBondContact O-OD1 3.45Å; S126-N129 PolarHBondContact O-N 2.98Å; N129-P134 VanDerWaalsContact O-CD 3.28Å; N129-P134 WeakPolarHBondContact O-CD 3.42Å; N129-P134 WeakPolarHBondContact O-CG 3.28Å; N129-N227 PolarHBondContact O-ND2 3.5Å |
| 130 | F | 92.9 | Very high | 92.2 | Very high | 39 Ų | 39 | 49.8 Ų | 49.8 | 17% | 0.171 | 25% | 0.246 | C | C | . | . | I | π-helix | trans | -101.7 | -14.4 | -170.9 | -53.2 | -36.7 | 0 | 0 | 0 | 114.2 | S126 S224 N227 F228 | S126-F130 WeakPolarHBondContact O-CB 3.4Å; S126-F130 VanDerWaalsContact O-CD2 3.31Å; S126-F130 WeakPolarHBondContact O-CD2 3.42Å; S126-F130 WeakPolarHBondContact O-CG 3.38Å; S126-F130 PolarHBondContact O-N 3.3Å; F130-S224 WeakPolarHBondContact O-CB 3.29Å; F130-S224 PolarHBondContact O-OG 2.87Å; F130-S224 VanDerWaalsContact O-OG 3.07Å; F130-N227 HydrophobicContact CD1-CB 4.15Å; F130-N227 HydrophobicContact CE1-CB 4.44Å; F130-F228 HydrophobicContact CD1-CB 4.4Å; F130-F228 HydrophobicContact CE1-CB 4.18Å; F130-F228 HydrophobicContact CE1-CD2 4.5Å; F130-F228 HydrophobicContact CZ-CD2 4.24Å |
| 131 | V | 94.4 | Very high | 92.9 | Very high | 77 Ų | 77 | 46.4 Ų | 46.4 | 47% | 0.467 | 23% | 0.233 | S | C | . | . | I | π-helix | trans | -128.9 | -60.2 | -176.8 | -174.6 | 0 | 0 | 0 | 0 | 111.2 | L127 L135 | L127-V131 HydrophobicContact CD1-CB 4.13Å; L127-V131 HydrophobicContact CD1-CG2 4.14Å; L127-V131 WeakPolarHBondContact O-CB 3.21Å; L127-V131 PolarHBondContact O-N 2.87Å; L127-V131 VanDerWaalsContact O-N 3.14Å; V131-L135 VanDerWaalsContact O-CB 3.22Å; V131-L135 WeakPolarHBondContact O-CB 3.28Å; V131-L135 PolarHBondContact O-N 3.32Å |
| 132 | I | 95.4 | Very high | 93.9 | Very high | 24 Ų | 24 | 41.4 Ų | 41.4 | 12% | 0.123 | 21% | 0.208 | C | C | . | . | I | π-helix | trans | -70.8 | -48.3 | -168.2 | -57.1 | 173.8 | 0 | 0 | 0 | 111.6 | V37 F41 L127 R128 L135 A136 | V37-I132 HydrophobicContact CB-CD1 4.43Å; V37-I132 HydrophobicContact CG1-CD1 3.9Å; V37-I132 HydrophobicContact CG1-CG2 4.26Å; V37-I132 HydrophobicContact CG2-CD1 3.58Å; V37-I132 HydrophobicContact CG2-CG2 4.12Å; F41-I132 HydrophobicContact CE2-CG2 4.5Å; L127-I132 HydrophobicContact CD2-CD1 4.14Å; L127-I132 HydrophobicContact CG-CD1 3.97Å; L127-I132 HydrophobicContact CG-CG1 4.28Å; L127-I132 PolarHBondContact O-N 3.43Å; L127-I132 VanDerWaalsContact O-N 3.1Å; R128-I132 PolarHBondContact O-N 3.09Å; I132-L135 PolarHBondContact O-N 3.07Å; I132-A136 VanDerWaalsContact O-CB 3.32Å; I132-A136 WeakPolarHBondContact O-CB 3.3Å; I132-A136 PolarHBondContact O-N 3.4Å |
| 133 | A | 95.2 | Very high | 94.8 | Very high | 19 Ų | 19 | 33.6 Ų | 33.6 | 16% | 0.157 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.3 | -51.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | R128 L135 A136 E137 | R128-A133 VanDerWaalsContact O-CB 3.25Å; R128-A133 WeakPolarHBondContact O-CB 3.28Å; R128-A133 PolarHBondContact O-N 3.48Å; A133-L135 PolarHBondContact O-N 2.71Å; A133-A136 PolarHBondContact O-N 3.29Å; A133-E137 WeakPolarHBondContact O-CB 3.46Å; A133-E137 VanDerWaalsContact O-CG 3.28Å; A133-E137 WeakPolarHBondContact O-CG 3.4Å; A133-E137 PolarHBondContact O-N 3.27Å |
| 134 | P | 97.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -52.1 | -49 | 173.6 | -31.5 | 37.7 | 0 | 0 | 0 | 113.8 | N129 A136 E138 I220 H223 S224 | N129-P134 VanDerWaalsContact O-CD 3.28Å; N129-P134 WeakPolarHBondContact O-CD 3.42Å; N129-P134 WeakPolarHBondContact O-CG 3.28Å; P134-A136 PolarHBondContact O-N 3.47Å; P134-E138 WeakPolarHBondContact O-CB 3.24Å; P134-E138 VanDerWaalsContact O-CG 3.24Å; P134-E138 WeakPolarHBondContact O-CG 3.36Å; P134-E138 PolarHBondContact O-N 3.02Å; P134-I220 HydrophobicContact CB-CG2 4.36Å; P134-H223 HydrophobicContact CB-CB 4Å; P134-H223 HydrophobicContact CG-CB 4.44Å; P134-S224 WeakPolarHBondContact CB-OG 3.33Å |
| 135 | L | 97.4 | Very high | 95.6 | Very high | 68 Ų | 68 | 25.8 Ų | 25.8 | 36% | 0.356 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -62.2 | -49.4 | -178.4 | -179.9 | 63.1 | 0 | 0 | 0 | 111.7 | V131 I132 A133 L139 I220 | V131-L135 VanDerWaalsContact O-CB 3.22Å; V131-L135 WeakPolarHBondContact O-CB 3.28Å; V131-L135 PolarHBondContact O-N 3.32Å; I132-L135 PolarHBondContact O-N 3.07Å; A133-L135 PolarHBondContact O-N 2.71Å; L135-L139 HydrophobicContact CD1-CD1 3.97Å; L135-L139 HydrophobicContact CD1-CG 4.4Å; L135-L139 HydrophobicContact CG-CD1 4.07Å; L135-L139 WeakPolarHBondContact O-CB 3.34Å; L135-L139 WeakPolarHBondContact O-CD1 3.2Å; L135-L139 WeakPolarHBondContact O-CG 3.38Å; L135-L139 PolarHBondContact O-N 2.92Å; L135-L139 VanDerWaalsContact O-N 3.09Å; L135-I220 HydrophobicContact CD1-CD1 3.8Å |
| 136 | A | 97.1 | Very high | 95.8 | Very high | 13 Ų | 13 | 23.1 Ų | 23.1 | 11% | 0.107 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -72.9 | -42 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | F14 V40 I132 A133 P134 L139 I140 | F14-A136 HydrophobicContact CE2-CB 4.35Å; V40-A136 HydrophobicContact CG1-CB 3.11Å; I132-A136 VanDerWaalsContact O-CB 3.32Å; I132-A136 WeakPolarHBondContact O-CB 3.3Å; I132-A136 PolarHBondContact O-N 3.4Å; A133-A136 PolarHBondContact O-N 3.29Å; P134-A136 PolarHBondContact O-N 3.47Å; A136-L139 PolarHBondContact O-N 3.01Å; A136-I140 WeakPolarHBondContact O-CG1 3.45Å; A136-I140 PolarHBondContact O-N 3.1Å; A136-I140 VanDerWaalsContact O-N 3.17Å |
| 137 | E | 97.3 | Very high | 96 | Very high | 34 Ų | 34 | 23.3 Ų | 23.3 | 16% | 0.159 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -67.1 | -45.6 | -179.9 | -68.8 | 173.8 | -159.8 | 0 | 0 | 110.5 | F14 A133 L139 I140 F141 F167 H223 | F14-E137 HydrophobicContact CE1-CG 4.02Å; F14-E137 HydrophobicContact CZ-CG 3.61Å; A133-E137 WeakPolarHBondContact O-CB 3.46Å; A133-E137 VanDerWaalsContact O-CG 3.28Å; A133-E137 WeakPolarHBondContact O-CG 3.4Å; A133-E137 PolarHBondContact O-N 3.27Å; E137-L139 PolarHBondContact O-N 3.17Å; E137-I140 PolarHBondContact O-N 3.48Å; E137-F141 HydrophobicContact CB-CD2 4.38Å; E137-F141 WeakPolarHBondContact O-CB 3.48Å; E137-F141 VanDerWaalsContact O-CD2 3.29Å; E137-F141 WeakPolarHBondContact O-CD2 3.5Å; E137-F141 PolarHBondContact O-N 3.23Å; E137-F167 HydrophobicContact CB-CE2 4.01Å; E137-F167 HydrophobicContact CG-CE2 4.38Å; E137-F167 VanDerWaalsContact OE2-CE2 3.28Å; E137-F167 WeakPolarHBondContact OE2-CE2 2.98Å; E137-H223 IonicContact OE2-CE1 2.64Å; E137-H223 PolarHBondContact OE2-CE1 3.26Å; E137-H223 VanDerWaalsContact OE2-CE1 3.23Å; E137-H223 IonicContact OE2-NE2 3.8Å |
| 138 | E | 98 | Very high | 96.2 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -67.7 | -36.7 | 177.4 | -59.1 | -49.7 | 119.3 | 0 | 0 | 111.6 | P134 I140 R142 A143 S206 I216 S219 I220 H223 | P134-E138 WeakPolarHBondContact O-CB 3.24Å; P134-E138 VanDerWaalsContact O-CG 3.24Å; P134-E138 WeakPolarHBondContact O-CG 3.36Å; P134-E138 PolarHBondContact O-N 3.02Å; E138-I140 VanDerWaalsContact C-N 3.27Å; E138-I140 PolarHBondContact O-N 3.41Å; E138-R142 HydrophobicContact CB-CB 4.38Å; E138-R142 HydrophobicContact CB-CG 4.25Å; E138-R142 CarbonylContact O-C 3.58Å; E138-R142 VanDerWaalsContact O-CA 3.23Å; E138-R142 WeakPolarHBondContact O-CA 3.22Å; E138-R142 WeakPolarHBondContact O-CB 3.46Å; E138-R142 PolarHBondContact O-N 3.46Å; E138-R142 WeakPolarHBondContact OE2-CG 3.42Å; E138-R142 IonicContact OE2-NE 3.27Å; E138-R142 PolarHBondContact OE2-NE 2.85Å; E138-A143 PolarHBondContact O-N 2.81Å; E138-S206 PolarHBondContact OE2-OG 3.05Å; E138-S206 VanDerWaalsContact OE2-OG 3.06Å; E138-I216 HydrophobicContact CB-CG1 4.43Å; E138-S219 WeakPolarHBondContact OE2-CB 3.39Å; E138-I220 HydrophobicContact CB-CG1 3.75Å; E138-I220 HydrophobicContact CG-CG1 4.04Å; E138-H223 HydrophobicContact CG-CB 4.26Å; E138-H223 IonicContact OE1-CE1 3.19Å; E138-H223 IonicContact OE1-CG 2.66Å; E138-H223 IonicContact OE1-ND1 3.18Å; E138-H223 PolarHBondContact OE1-ND1 3.22Å |
| 139 | L | 97.3 | Very high | 96.3 | Very high | 48 Ų | 48 | 18.9 Ų | 18.9 | 25% | 0.251 | 10% | 0.103 | S | C | . | . | I | π-helix | trans | -58.6 | -39.1 | 174.6 | -80.5 | 170.5 | 0 | 0 | 0 | 112.4 | M48 I75 L135 A136 E137 A143 C144 I216 | M48-L139 HydrophobicContact CE-CB 4.41Å; M48-L139 HydrophobicContact CE-CD2 4.04Å; I75-L139 HydrophobicContact CD1-CD2 4.06Å; L135-L139 HydrophobicContact CD1-CD1 3.97Å; L135-L139 HydrophobicContact CD1-CG 4.4Å; L135-L139 HydrophobicContact CG-CD1 4.07Å; L135-L139 WeakPolarHBondContact O-CB 3.34Å; L135-L139 WeakPolarHBondContact O-CD1 3.2Å; L135-L139 WeakPolarHBondContact O-CG 3.38Å; L135-L139 PolarHBondContact O-N 2.92Å; L135-L139 VanDerWaalsContact O-N 3.09Å; A136-L139 PolarHBondContact O-N 3.01Å; E137-L139 PolarHBondContact O-N 3.17Å; L139-A143 WeakPolarHBondContact O-CB 3.32Å; L139-A143 PolarHBondContact O-N 2.71Å; L139-C144 PolarHBondContact O-N 2.83Å; L139-C144 VanDerWaalsContact O-N 3.13Å; L139-C144 PolarHBondContact O-SG 3.03Å; L139-I216 HydrophobicContact CD2-CD1 4.1Å |
| 140 | I | 97.4 | Very high | 96.3 | Very high | 2 Ų | 2 | 16.8 Ų | 16.8 | 1% | 0.01 | 9% | 0.092 | C | C | . | . | I | π-helix | trans | -81.2 | -52.3 | -179.2 | -61.9 | -65.5 | 0 | 0 | 0 | 111.4 | F14 S47 A136 E137 E138 C144 V145 | F14-I140 HydrophobicContact CD2-CB 4.48Å; F14-I140 HydrophobicContact CD2-CG1 4.01Å; F14-I140 HydrophobicContact CE2-CG1 4.34Å; S47-I140 VanDerWaalsContact CB-CD1 3.48Å; A136-I140 WeakPolarHBondContact O-CG1 3.45Å; A136-I140 PolarHBondContact O-N 3.1Å; A136-I140 VanDerWaalsContact O-N 3.17Å; E137-I140 PolarHBondContact O-N 3.48Å; E138-I140 VanDerWaalsContact C-N 3.27Å; E138-I140 PolarHBondContact O-N 3.41Å; I140-C144 VanDerWaalsContact O-CB 3.29Å; I140-C144 WeakPolarHBondContact O-CB 3.16Å; I140-C144 PolarHBondContact O-N 3.08Å; I140-V145 WeakPolarHBondContact O-CG2 3.33Å; I140-V145 PolarHBondContact O-N 3.35Å |
| 141 | F | 97.6 | Very high | 96.2 | Very high | 3 Ų | 3 | 18.7 Ų | 18.7 | 1% | 0.013 | 11% | 0.109 | C | C | . | . | I | π-helix | trans | -85.1 | -30.4 | -171.8 | -67.1 | -78.8 | 0 | 0 | 0 | 113.1 | F14 E137 V145 T146 F166 F167 A170 | F14-F141 HydrophobicContact CD1-CE2 4.08Å; F14-F141 HydrophobicContact CD1-CZ 4.43Å; F14-F141 HydrophobicContact CE1-CE2 4.33Å; F14-F141 HydrophobicContact CG-CE2 4.4Å; E137-F141 HydrophobicContact CB-CD2 4.38Å; E137-F141 WeakPolarHBondContact O-CB 3.48Å; E137-F141 VanDerWaalsContact O-CD2 3.29Å; E137-F141 WeakPolarHBondContact O-CD2 3.5Å; E137-F141 PolarHBondContact O-N 3.23Å; F141-V145 HydrophobicContact CD1-CG2 4.24Å; F141-V145 WeakPolarHBondContact O-CB 3.39Å; F141-T146 PolarHBondContact O-OG1 3.26Å; F141-F166 HydrophobicContact CD1-CB 4.35Å; F141-F167 HydrophobicContact CB-CB 4.12Å; F141-F167 HydrophobicContact CB-CD2 4.14Å; F141-F167 HydrophobicContact CD1-CB 3.95Å; F141-F167 HydrophobicContact CD1-CD2 4.34Å; F141-F167 AromaticContact CD2-CD2 3.55Å; F141-F167 HydrophobicContact CD2-CD2 3.55Å; F141-F167 HydrophobicContact CD2-CE2 4.25Å; F141-F167 AromaticContact CE2-CD2 3.96Å; F141-F167 HydrophobicContact CE2-CD2 3.96Å; F141-F167 HydrophobicContact CG-CB 3.99Å; F141-F167 AromaticContact CG-CD2 3.76Å; F141-F167 HydrophobicContact CG-CD2 3.76Å; F141-F167 HydrophobicContact CG-CG 4.36Å; F141-A170 HydrophobicContact CE1-CB 4.44Å; F141-A170 HydrophobicContact CZ-CB 4.04Å |
| 142 | R | 97.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 11% | 0.106 | C | C | . | . | I | π-helix | trans | -95.6 | -38.4 | 176.6 | -61.4 | -57.2 | 165.9 | -158 | -9.2 | 114.2 | E138 T146 S163 S164 G203 M210 I216 | E138-R142 HydrophobicContact CB-CB 4.38Å; E138-R142 HydrophobicContact CB-CG 4.25Å; E138-R142 CarbonylContact O-C 3.58Å; E138-R142 VanDerWaalsContact O-CA 3.23Å; E138-R142 WeakPolarHBondContact O-CA 3.22Å; E138-R142 WeakPolarHBondContact O-CB 3.46Å; E138-R142 PolarHBondContact O-N 3.46Å; E138-R142 WeakPolarHBondContact OE2-CG 3.42Å; E138-R142 IonicContact OE2-NE 3.27Å; E138-R142 PolarHBondContact OE2-NE 2.85Å; R142-T146 WeakPolarHBondContact CA-OG1 3.38Å; R142-T146 WeakPolarHBondContact O-CB 3.38Å; R142-T146 PolarHBondContact O-OG1 3.49Å; R142-S163 PolarHBondContact NH1-OG 3.18Å; R142-S164 PolarHBondContact NH1-OG 2.88Å; R142-S164 PolarHBondContact NH2-OG 2.94Å; R142-G203 VanDerWaalsContact CZ-O 3.25Å; R142-G203 PolarHBondContact NH2-O 3.12Å; R142-M210 HydrophobicContact CB-CE 3.83Å; R142-M210 HydrophobicContact CB-SD 3.64Å; R142-M210 HydrophobicContact CG-CE 4.48Å; R142-M210 WeakPolarHBondContact O-CE 3.48Å; R142-I216 HydrophobicContact CB-CD1 4.44Å; R142-I216 HydrophobicContact CB-CG1 4.46Å |
| 143 | A | 96.4 | Very high | 96 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.11 | C | C | . | . | I | π-helix | trans | -79.4 | -69.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | L73 E138 L139 F147 I216 | L73-A143 HydrophobicContact CB-CB 4.09Å; E138-A143 PolarHBondContact O-N 2.81Å; L139-A143 WeakPolarHBondContact O-CB 3.32Å; L139-A143 PolarHBondContact O-N 2.71Å; A143-F147 WeakPolarHBondContact O-CB 3.35Å; A143-F147 PolarHBondContact O-N 2.89Å; A143-I216 HydrophobicContact CB-CD1 3.66Å |
| 144 | C | 97.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 13% | 0.131 | C | C | . | . | I | π-helix | trans | -67.6 | -48.5 | -169.1 | -58.5 | 0 | 0 | 0 | 0 | 114 | Y10 V51 L139 I140 H148 | Y10-C144 HydrophobicContact CD2-CB 3.73Å; Y10-C144 HydrophobicContact CE2-CB 3.74Å; V51-C144 HydrophobicContact CG2-CB 3.73Å; L139-C144 PolarHBondContact O-N 2.83Å; L139-C144 VanDerWaalsContact O-N 3.13Å; L139-C144 PolarHBondContact O-SG 3.03Å; I140-C144 VanDerWaalsContact O-CB 3.29Å; I140-C144 WeakPolarHBondContact O-CB 3.16Å; I140-C144 PolarHBondContact O-N 3.08Å; C144-H148 PolarHBondContact O-CD2 3.39Å; C144-H148 VanDerWaalsContact O-CD2 3.25Å |
| 145 | V | 97.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 15% | 0.148 | C | C | . | . | I | π-helix | trans | -68.5 | -49.4 | -178.9 | 167.2 | 0 | 0 | 0 | 0 | 110.8 | C7 Y10 I140 F141 F147 H148 L149 F166 | C7-V145 HydrophobicContact CB-CG1 4.11Å; C7-V145 HydrophobicContact CB-CG2 4.37Å; Y10-V145 HydrophobicContact CD2-CG2 4.3Å; I140-V145 WeakPolarHBondContact O-CG2 3.33Å; I140-V145 PolarHBondContact O-N 3.35Å; F141-V145 HydrophobicContact CD1-CG2 4.24Å; F141-V145 WeakPolarHBondContact O-CB 3.39Å; V145-F147 VanDerWaalsContact C-N 3.26Å; V145-F147 PolarHBondContact O-N 3.1Å; V145-H148 PolarHBondContact O-N 3.22Å; V145-L149 HydrophobicContact CG1-CD1 3.75Å; V145-L149 HydrophobicContact CG1-CG 4.3Å; V145-L149 WeakPolarHBondContact O-CG 3.24Å; V145-L149 PolarHBondContact O-N 2.98Å; V145-L149 VanDerWaalsContact O-N 3.11Å; V145-F166 HydrophobicContact CG1-CB 4.04Å; V145-F166 HydrophobicContact CG1-CD2 4.03Å; V145-F166 HydrophobicContact CG1-CG 4.07Å |
| 146 | T | 96.1 | Very high | 94.7 | Very high | 2 Ų | 2 | 23.6 Ų | 23.6 | 1% | 0.012 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -59.9 | -36.7 | 178.7 | -45.5 | 0 | 0 | 0 | 0 | 112.2 | F74 F141 R142 H148 L149 L150 L159 M210 L211 | F74-T146 HydrophobicContact CE2-CG2 4.34Å; F141-T146 PolarHBondContact O-OG1 3.26Å; R142-T146 WeakPolarHBondContact CA-OG1 3.38Å; R142-T146 WeakPolarHBondContact O-CB 3.38Å; R142-T146 PolarHBondContact O-OG1 3.49Å; T146-H148 VanDerWaalsContact C-N 3.33Å; T146-H148 PolarHBondContact O-N 2.91Å; T146-L149 CarbonylContact O-C 3.4Å; T146-L149 PolarHBondContact O-N 3.46Å; T146-L149 VanDerWaalsContact O-N 3.1Å; T146-L150 WeakPolarHBondContact O-CB 3.46Å; T146-L150 PolarHBondContact O-N 3.42Å; T146-L159 HydrophobicContact CG2-CD1 4.13Å; T146-L159 HydrophobicContact CG2-CD2 4.08Å; T146-L159 HydrophobicContact CG2-CG 4.2Å; T146-M210 HydrophobicContact CG2-CE 4.15Å; T146-L211 HydrophobicContact CG2-CD2 4.44Å |
| 147 | F | 95.5 | Very high | 94.4 | Very high | 18 Ų | 18 | 26.8 Ų | 26.8 | 8% | 0.079 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -54.1 | -47.4 | 176.4 | 170.7 | -99.6 | 0 | 0 | 0 | 112.4 | V51 Y54 I55 K72 L73 A143 V145 P151 Y287 | V51-F147 HydrophobicContact CG1-CD1 3.94Å; V51-F147 HydrophobicContact CG1-CE1 4.28Å; V51-F147 HydrophobicContact CG1-CG 4.33Å; Y54-F147 HydrophobicContact CG-CE1 4.15Å; I55-F147 HydrophobicContact CG2-CD2 4.23Å; I55-F147 HydrophobicContact CG2-CE2 3.52Å; I55-F147 HydrophobicContact CG2-CZ 3.72Å; K72-F147 HydrophobicContact CB-CD2 4.23Å; K72-F147 HydrophobicContact CB-CE2 4.06Å; K72-F147 HydrophobicContact CD-CE2 4.49Å; L73-F147 HydrophobicContact CD2-CB 3.74Å; L73-F147 HydrophobicContact CD2-CD2 3.93Å; L73-F147 HydrophobicContact CD2-CG 3.83Å; A143-F147 WeakPolarHBondContact O-CB 3.35Å; A143-F147 PolarHBondContact O-N 2.89Å; V145-F147 VanDerWaalsContact C-N 3.26Å; V145-F147 PolarHBondContact O-N 3.1Å; F147-P151 WeakPolarHBondContact O-CD 3.11Å; F147-Y287 VanDerWaalsContact CE2-OH 3.27Å; F147-Y287 WeakPolarHBondContact CE2-OH 3.16Å |
| 148 | H | 96.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -72.2 | -29.3 | 177.7 | -71.1 | -61.2 | 0 | 0 | 0 | 112.9 | E3 N6 Y10 C144 V145 T146 P151 | E3-H148 HydrophobicContact CB-CB 4.13Å; E3-H148 WeakPolarHBondContact CB-O 3.08Å; E3-H148 WeakPolarHBondContact OE2-CA 3.46Å; E3-H148 VanDerWaalsContact OE2-CB 3.27Å; E3-H148 WeakPolarHBondContact OE2-CB 3.36Å; E3-H148 IonicContact OE2-CE1 2.89Å; E3-H148 IonicContact OE2-CG 2.69Å; E3-H148 VanDerWaalsContact OE2-CG 3.27Å; E3-H148 IonicContact OE2-ND1 3.68Å; E3-H148 PolarHBondContact OE2-ND1 2.8Å; N6-H148 PolarHBondContact ND2-CE1 3.22Å; N6-H148 VanDerWaalsContact ND2-CE1 3.33Å; Y10-H148 AromaticContact CE2-CD2 3.39Å; Y10-H148 WeakPolarHBondContact CE2-CD2 3.44Å; Y10-H148 AromaticContact CE2-NE2 3.41Å; Y10-H148 WeakPolarHBondContact CE2-NE2 3.27Å; Y10-H148 AromaticContact CZ-CD2 3.98Å; Y10-H148 AromaticContact CZ-NE2 3.52Å; Y10-H148 PolarHBondContact OH-NE2 3.04Å; C144-H148 PolarHBondContact O-CD2 3.39Å; C144-H148 VanDerWaalsContact O-CD2 3.25Å; V145-H148 PolarHBondContact O-N 3.22Å; T146-H148 VanDerWaalsContact C-N 3.33Å; T146-H148 PolarHBondContact O-N 2.91Å; H148-P151 WeakPolarHBondContact O-CD 3.3Å |
| 149 | L | 95.6 | Very high | 94.1 | Very high | 2 Ų | 2 | 29.5 Ų | 29.5 | 1% | 0.01 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -79.4 | -26.2 | 178.2 | -62.9 | 178.4 | 0 | 0 | 0 | 113 | V145 T146 P151 L152 F153 L159 V162 F166 | V145-L149 HydrophobicContact CG1-CD1 3.75Å; V145-L149 HydrophobicContact CG1-CG 4.3Å; V145-L149 WeakPolarHBondContact O-CG 3.24Å; V145-L149 PolarHBondContact O-N 2.98Å; V145-L149 VanDerWaalsContact O-N 3.11Å; T146-L149 CarbonylContact O-C 3.4Å; T146-L149 PolarHBondContact O-N 3.46Å; T146-L149 VanDerWaalsContact O-N 3.1Å; L149-P151 VanDerWaalsContact C-CD 3.48Å; L149-L152 HydrophobicContact CD2-CD1 4.33Å; L149-L152 WeakPolarHBondContact O-CB 3.43Å; L149-L152 PolarHBondContact O-N 2.82Å; L149-F153 HydrophobicContact CB-CD2 4.27Å; L149-F153 HydrophobicContact CB-CE2 4.42Å; L149-F153 HydrophobicContact CD2-CE2 4.22Å; L149-F153 WeakPolarHBondContact O-CD2 3.24Å; L149-F153 PolarHBondContact O-N 2.97Å; L149-L159 HydrophobicContact CB-CD1 3.52Å; L149-V162 HydrophobicContact CD1-CG1 4.17Å; L149-V162 HydrophobicContact CD2-CG1 4.48Å; L149-F166 HydrophobicContact CD1-CD2 4.05Å; L149-F166 HydrophobicContact CD1-CE2 4.17Å; L149-F166 HydrophobicContact CD2-CE2 4.13Å |
| 150 | L | 93.1 | Very high | 94 | Very high | 4 Ų | 4 | 27.4 Ų | 27.4 | 2% | 0.021 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | -53.1 | -45.1 | -174.4 | -165 | 78.6 | 0 | 0 | 0 | 113 | T146 L152 F153 L159 L211 C282 H283 Y287 | T146-L150 WeakPolarHBondContact O-CB 3.46Å; T146-L150 PolarHBondContact O-N 3.42Å; L150-L152 PolarHBondContact O-N 3.27Å; L150-F153 PolarHBondContact O-N 3.29Å; L150-L159 HydrophobicContact CD1-CD2 3.46Å; L150-L159 VanDerWaalsContact CD1-CD2 3.46Å; L150-L211 HydrophobicContact CD1-CD2 4.4Å; L150-C282 HydrophobicContact CD1-CB 4.08Å; L150-H283 PolarHBondContact O-CE1 2.75Å; L150-Y287 HydrophobicContact CD2-CD2 3.53Å; L150-Y287 HydrophobicContact CD2-CE2 3.11Å; L150-Y287 HydrophobicContact CD2-CG 4.39Å |
| 151 | P | 91.6 | Very high | 93.9 | Very high | 79 Ų | 79 | 31.1 Ų | 31.1 | 51% | 0.513 | 18% | 0.177 | S | C | . | . | G | 310 helix | trans | -69.9 | -14.1 | 178.8 | -17.4 | 32.9 | 0 | 0 | 0 | 114.3 | F147 H148 L149 | F147-P151 WeakPolarHBondContact O-CD 3.11Å; H148-P151 WeakPolarHBondContact O-CD 3.3Å; L149-P151 VanDerWaalsContact C-CD 3.48Å |
| 152 | L | 93.8 | Very high | 93.9 | Very high | 79 Ų | 79 | 32.4 Ų | 32.4 | 41% | 0.414 | 19% | 0.185 | S | C | . | . | G | 310 helix | trans | -92.3 | -17.8 | -176.1 | -54 | -176.8 | 0 | 0 | 0 | 113.1 | E3 I4 L149 L150 | E3-L152 HydrophobicContact CB-CD1 3.96Å; E3-L152 HydrophobicContact CB-CG 4.44Å; E3-L152 HydrophobicContact CG-CD2 4.36Å; I4-L152 HydrophobicContact CD1-CD1 4.28Å; I4-L152 HydrophobicContact CG1-CD1 3.82Å; L149-L152 HydrophobicContact CD2-CD1 4.33Å; L149-L152 WeakPolarHBondContact O-CB 3.43Å; L149-L152 PolarHBondContact O-N 2.82Å; L150-L152 PolarHBondContact O-N 3.27Å |
| 153 | F | 91.3 | Very high | 93.9 | Very high | 49 Ų | 49 | 32.4 Ų | 32.4 | 22% | 0.215 | 19% | 0.185 | C | C | . | . | trans | -131.7 | 113.3 | -172.5 | -63.8 | -79.1 | 0 | 0 | 0 | 111.5 | L149 L150 M158 L159 V162 | L149-F153 HydrophobicContact CB-CD2 4.27Å; L149-F153 HydrophobicContact CB-CE2 4.42Å; L149-F153 HydrophobicContact CD2-CE2 4.22Å; L149-F153 WeakPolarHBondContact O-CD2 3.24Å; L149-F153 PolarHBondContact O-N 2.97Å; L150-F153 PolarHBondContact O-N 3.29Å; F153-M158 HydrophobicContact CD1-CB 3.98Å; F153-L159 HydrophobicContact CB-CB 3.96Å; F153-L159 HydrophobicContact CB-CD1 4.39Å; F153-L159 HydrophobicContact CD2-CD1 4.15Å; F153-V162 HydrophobicContact CE1-CG2 3.92Å; F153-V162 HydrophobicContact CE2-CB 4.15Å; F153-V162 HydrophobicContact CE2-CG1 3.91Å; F153-V162 HydrophobicContact CE2-CG2 4.35Å; F153-V162 HydrophobicContact CZ-CB 4Å; F153-V162 HydrophobicContact CZ-CG1 3.85Å; F153-V162 HydrophobicContact CZ-CG2 3.71Å | ||
| 154 | S | 85 | Confident | 93.9 | Very high | 85 Ų | 85 | 32.4 Ų | 32.4 | 59% | 0.594 | 19% | 0.185 | S | C | * | . | S | Bend | trans | -75.2 | -31.4 | 171.4 | 53.7 | 0 | 0 | 0 | 0 | 112.8 | C282 | S154-C282 PolarHBondContact O-N 3.48Å; S154-C282 PolarHBondContact O-SG 3.39Å |
| 155 | S | 88.7 | Confident | 93.9 | Very high | 50 Ų | 50 | 34.9 Ų | 34.9 | 35% | 0.35 | 20% | 0.198 | S | C | . | . | trans | -83.4 | 124.4 | -178.9 | 169.1 | 0 | 0 | 0 | 0 | 112.6 | V157 M158 L159 C282 | S155-V157 VanDerWaalsContact C-N 3.3Å; S155-V157 PolarHBondContact O-N 2.9Å; S155-M158 PolarHBondContact O-N 3.47Å; S155-M158 PolarHBondContact OG-N 2.77Å; S155-L159 PolarHBondContact O-N 2.87Å; S155-C282 PolarHBondContact O-SG 2.73Å | ||
| 156 | C | 88.5 | Confident | 93.9 | Very high | 28 Ų | 28 | 36.7 Ų | 36.7 | 19% | 0.189 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.3 | -40.9 | 179.8 | -177.2 | 0 | 0 | 0 | 0 | 111.8 | M158 L159 C160 C282 | C156-M158 PolarHBondContact O-N 2.87Å; C156-L159 PolarHBondContact O-N 3.23Å; C156-C160 WeakPolarHBondContact O-CB 3.39Å; C156-C160 PolarHBondContact O-N 3.42Å; C156-C160 PolarHBondContact O-SG 3.45Å; C156-C282 WeakPolarHBondContact CA-SG 3.38Å; C156-C282 PolarHBondContact N-SG 3.03Å |
| 157 | V | 90.4 | Very high | 93.9 | Very high | 80 Ų | 80 | 36.8 Ų | 36.8 | 49% | 0.485 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -63.7 | -44.4 | 177.8 | 179.9 | 0 | 0 | 0 | 0 | 110.8 | S155 C160 F161 M204 | S155-V157 VanDerWaalsContact C-N 3.3Å; S155-V157 PolarHBondContact O-N 2.9Å; V157-C160 PolarHBondContact O-N 3.37Å; V157-F161 WeakPolarHBondContact O-CB 3.35Å; V157-F161 PolarHBondContact O-N 3.42Å; V157-M204 HydrophobicContact CG1-CE 4.46Å |
| 158 | M | 93.9 | Very high | 93.9 | Very high | 90 Ų | 90 | 35.9 Ų | 35.9 | 44% | 0.443 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -67.5 | -41.4 | 179.2 | -70.7 | -60.1 | -65 | 0 | 0 | 112.2 | F153 S155 C156 F161 V162 | F153-M158 HydrophobicContact CD1-CB 3.98Å; S155-M158 PolarHBondContact O-N 3.47Å; S155-M158 PolarHBondContact OG-N 2.77Å; C156-M158 PolarHBondContact O-N 2.87Å; M158-F161 PolarHBondContact O-N 2.97Å; M158-V162 WeakPolarHBondContact O-CB 3.23Å; M158-V162 WeakPolarHBondContact O-CG2 3.36Å; M158-V162 PolarHBondContact O-N 3.21Å |
| 159 | L | 94.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62 | -46.2 | 175 | 179.1 | 60.1 | 0 | 0 | 0 | 111.5 | T146 L149 L150 F153 S155 C156 F161 S163 L211 C282 | T146-L159 HydrophobicContact CG2-CD1 4.13Å; T146-L159 HydrophobicContact CG2-CD2 4.08Å; T146-L159 HydrophobicContact CG2-CG 4.2Å; L149-L159 HydrophobicContact CB-CD1 3.52Å; L150-L159 HydrophobicContact CD1-CD2 3.46Å; L150-L159 VanDerWaalsContact CD1-CD2 3.46Å; F153-L159 HydrophobicContact CB-CB 3.96Å; F153-L159 HydrophobicContact CB-CD1 4.39Å; F153-L159 HydrophobicContact CD2-CD1 4.15Å; S155-L159 PolarHBondContact O-N 2.87Å; C156-L159 PolarHBondContact O-N 3.23Å; L159-F161 VanDerWaalsContact C-N 3.32Å; L159-F161 PolarHBondContact O-N 2.81Å; L159-S163 VanDerWaalsContact O-CB 3.24Å; L159-S163 WeakPolarHBondContact O-CB 3.47Å; L159-S163 PolarHBondContact O-N 3.45Å; L159-S163 PolarHBondContact O-OG 3.14Å; L159-L211 HydrophobicContact CD2-CD1 3.85Å; L159-L211 HydrophobicContact CD2-CD2 4.09Å; L159-L211 HydrophobicContact CG-CD1 4.31Å; L159-C282 HydrophobicContact CD2-CB 3.99Å |
| 160 | C | 94.9 | Very high | 93.9 | Very high | 4 Ų | 4 | 40.6 Ų | 40.6 | 3% | 0.027 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58.9 | -44.4 | 175.3 | -70.9 | 0 | 0 | 0 | 0 | 111.2 | C156 V157 S163 S164 M204 F208 L211 | C156-C160 WeakPolarHBondContact O-CB 3.39Å; C156-C160 PolarHBondContact O-N 3.42Å; C156-C160 PolarHBondContact O-SG 3.45Å; V157-C160 PolarHBondContact O-N 3.37Å; C160-S163 PolarHBondContact O-OG 2.85Å; C160-S163 VanDerWaalsContact O-OG 3.14Å; C160-S164 WeakPolarHBondContact O-CB 3.29Å; C160-S164 PolarHBondContact O-N 3.45Å; C160-S164 VanDerWaalsContact O-N 3.13Å; C160-S164 PolarHBondContact O-OG 3.02Å; C160-M204 HydrophobicContact CB-CB 4.46Å; C160-M204 HydrophobicContact CB-CG 4.5Å; C160-F208 PolarHBondContact SG-N 3.5Å; C160-L211 VanDerWaalsContact SG-CD1 3.6Å |
| 161 | F | 96.9 | Very high | 93.9 | Very high | 81 Ų | 81 | 41.5 Ų | 41.5 | 36% | 0.355 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -63.9 | -54.3 | 179 | -179.9 | -112.4 | 0 | 0 | 0 | 111.7 | V157 M158 L159 S164 L165 T200 M204 | V157-F161 WeakPolarHBondContact O-CB 3.35Å; V157-F161 PolarHBondContact O-N 3.42Å; M158-F161 PolarHBondContact O-N 2.97Å; L159-F161 VanDerWaalsContact C-N 3.32Å; L159-F161 PolarHBondContact O-N 2.81Å; F161-S164 PolarHBondContact O-N 2.93Å; F161-L165 HydrophobicContact CD1-CD1 4.17Å; F161-L165 HydrophobicContact CE1-CD1 3.66Å; F161-L165 HydrophobicContact CE1-CG 4.38Å; F161-L165 HydrophobicContact CE2-CD2 4.4Å; F161-L165 HydrophobicContact CE2-CG 4.47Å; F161-L165 HydrophobicContact CZ-CD1 3.87Å; F161-L165 HydrophobicContact CZ-CD2 4.29Å; F161-L165 HydrophobicContact CZ-CG 4.27Å; F161-L165 WeakPolarHBondContact O-CG 2.85Å; F161-L165 PolarHBondContact O-N 3.02Å; F161-T200 HydrophobicContact CD2-CG2 4.19Å; F161-T200 HydrophobicContact CE2-CG2 4.1Å; F161-M204 HydrophobicContact CB-CE 4.18Å; F161-M204 HydrophobicContact CB-SD 4.33Å; F161-M204 HydrophobicContact CD2-CE 4.36Å; F161-M204 HydrophobicContact CD2-SD 3.74Å |
| 162 | V | 96.8 | Very high | 94 | Very high | 29 Ų | 29 | 40.6 Ų | 40.6 | 18% | 0.176 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -67.3 | -42.7 | -175.3 | 176.1 | 0 | 0 | 0 | 0 | 112 | L149 F153 M158 S164 L165 F166 | L149-V162 HydrophobicContact CD1-CG1 4.17Å; L149-V162 HydrophobicContact CD2-CG1 4.48Å; F153-V162 HydrophobicContact CE1-CG2 3.92Å; F153-V162 HydrophobicContact CE2-CB 4.15Å; F153-V162 HydrophobicContact CE2-CG1 3.91Å; F153-V162 HydrophobicContact CE2-CG2 4.35Å; F153-V162 HydrophobicContact CZ-CB 4Å; F153-V162 HydrophobicContact CZ-CG1 3.85Å; F153-V162 HydrophobicContact CZ-CG2 3.71Å; M158-V162 WeakPolarHBondContact O-CB 3.23Å; M158-V162 WeakPolarHBondContact O-CG2 3.36Å; M158-V162 PolarHBondContact O-N 3.21Å; V162-S164 PolarHBondContact O-N 3.27Å; V162-L165 WeakPolarHBondContact O-CB 3.02Å; V162-L165 PolarHBondContact O-N 3.44Å; V162-L165 VanDerWaalsContact O-N 3.16Å; V162-F166 HydrophobicContact CG1-CE2 4.35Å; V162-F166 WeakPolarHBondContact O-CD2 3.34Å; V162-F166 PolarHBondContact O-N 3.42Å |
| 163 | S | 96.4 | Very high | 93.8 | Very high | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.007 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60 | -38.1 | 174.1 | 59.2 | 0 | 0 | 0 | 0 | 111.6 | R142 L159 C160 L165 F166 F167 | R142-S163 PolarHBondContact NH1-OG 3.18Å; L159-S163 VanDerWaalsContact O-CB 3.24Å; L159-S163 WeakPolarHBondContact O-CB 3.47Å; L159-S163 PolarHBondContact O-N 3.45Å; L159-S163 PolarHBondContact O-OG 3.14Å; C160-S163 PolarHBondContact O-OG 2.85Å; C160-S163 VanDerWaalsContact O-OG 3.14Å; S163-L165 VanDerWaalsContact C-N 3.33Å; S163-L165 PolarHBondContact O-N 2.92Å; S163-F166 PolarHBondContact O-N 3.4Å; S163-F167 PolarHBondContact O-N 2.78Å |
| 164 | S | 97.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -71.7 | -26.5 | 178.1 | -57.5 | 0 | 0 | 0 | 0 | 113.3 | R142 C160 F161 V162 F167 S168 G203 M204 | R142-S164 PolarHBondContact NH1-OG 2.88Å; R142-S164 PolarHBondContact NH2-OG 2.94Å; C160-S164 WeakPolarHBondContact O-CB 3.29Å; C160-S164 PolarHBondContact O-N 3.45Å; C160-S164 VanDerWaalsContact O-N 3.13Å; C160-S164 PolarHBondContact O-OG 3.02Å; F161-S164 PolarHBondContact O-N 2.93Å; V162-S164 PolarHBondContact O-N 3.27Å; S164-F167 PolarHBondContact O-N 2.65Å; S164-S168 WeakPolarHBondContact O-CB 3.18Å; S164-S168 PolarHBondContact O-N 3.38Å; S164-S168 PolarHBondContact O-OG 2.84Å; S164-S168 VanDerWaalsContact O-OG 3.1Å; S164-G203 WeakPolarHBondContact OG-CA 3.21Å; S164-G203 PolarHBondContact OG-O 3.19Å; S164-G203 VanDerWaalsContact OG-O 3.12Å; S164-M204 PolarHBondContact OG-N 2.64Å |
| 165 | L | 97.5 | Very high | 94 | Very high | 51 Ų | 51 | 33.5 Ų | 33.5 | 27% | 0.267 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -65.3 | -38.8 | 171.5 | -71.6 | 177.6 | 0 | 0 | 0 | 112.1 | F161 V162 S163 F167 S168 L169 T200 | F161-L165 HydrophobicContact CD1-CD1 4.17Å; F161-L165 HydrophobicContact CE1-CD1 3.66Å; F161-L165 HydrophobicContact CE1-CG 4.38Å; F161-L165 HydrophobicContact CE2-CD2 4.4Å; F161-L165 HydrophobicContact CE2-CG 4.47Å; F161-L165 HydrophobicContact CZ-CD1 3.87Å; F161-L165 HydrophobicContact CZ-CD2 4.29Å; F161-L165 HydrophobicContact CZ-CG 4.27Å; F161-L165 WeakPolarHBondContact O-CG 2.85Å; F161-L165 PolarHBondContact O-N 3.02Å; V162-L165 WeakPolarHBondContact O-CB 3.02Å; V162-L165 PolarHBondContact O-N 3.44Å; V162-L165 VanDerWaalsContact O-N 3.16Å; S163-L165 VanDerWaalsContact C-N 3.33Å; S163-L165 PolarHBondContact O-N 2.92Å; L165-F167 VanDerWaalsContact C-N 3.3Å; L165-F167 PolarHBondContact O-N 3.47Å; L165-S168 WeakPolarHBondContact CA-OG 3.24Å; L165-S168 PolarHBondContact O-N 3.32Å; L165-S168 PolarHBondContact O-OG 2.83Å; L165-L169 HydrophobicContact CB-CD1 4.4Å; L165-L169 WeakPolarHBondContact O-CB 3.46Å; L165-L169 WeakPolarHBondContact O-CG 3.47Å; L165-L169 PolarHBondContact O-N 3.4Å; L165-T200 HydrophobicContact CD2-CG2 4.13Å |
| 166 | F | 97.1 | Very high | 94.1 | Very high | 38 Ų | 38 | 36.9 Ų | 36.9 | 17% | 0.167 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.2 | -42.9 | 174.2 | -82.4 | -81 | 0 | 0 | 0 | 111.8 | I4 C7 I8 F141 V145 L149 V162 S163 A170 | I4-F166 HydrophobicContact CG2-CZ 4.38Å; C7-F166 HydrophobicContact CB-CD1 3.98Å; C7-F166 HydrophobicContact CB-CD2 4.34Å; C7-F166 HydrophobicContact CB-CE1 3.52Å; C7-F166 HydrophobicContact CB-CE2 3.92Å; C7-F166 HydrophobicContact CB-CG 4.37Å; C7-F166 HydrophobicContact CB-CZ 3.48Å; C7-F166 VanDerWaalsContact CB-CZ 3.48Å; I8-F166 HydrophobicContact CG1-CE1 3.76Å; I8-F166 HydrophobicContact CG1-CZ 4.34Å; F141-F166 HydrophobicContact CD1-CB 4.35Å; V145-F166 HydrophobicContact CG1-CB 4.04Å; V145-F166 HydrophobicContact CG1-CD2 4.03Å; V145-F166 HydrophobicContact CG1-CG 4.07Å; L149-F166 HydrophobicContact CD1-CD2 4.05Å; L149-F166 HydrophobicContact CD1-CE2 4.17Å; L149-F166 HydrophobicContact CD2-CE2 4.13Å; V162-F166 HydrophobicContact CG1-CE2 4.35Å; V162-F166 WeakPolarHBondContact O-CD2 3.34Å; V162-F166 PolarHBondContact O-N 3.42Å; S163-F166 PolarHBondContact O-N 3.4Å; F166-A170 PolarHBondContact O-N 2.94Å |
| 167 | F | 96.4 | Very high | 94 | Very high | 4 Ų | 4 | 37.6 Ų | 37.6 | 2% | 0.018 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -66.8 | -47.3 | 176.3 | 176.5 | -110.6 | 0 | 0 | 0 | 112.8 | E137 F141 S163 S164 L165 A170 H171 F202 | E137-F167 HydrophobicContact CB-CE2 4.01Å; E137-F167 HydrophobicContact CG-CE2 4.38Å; E137-F167 VanDerWaalsContact OE2-CE2 3.28Å; E137-F167 WeakPolarHBondContact OE2-CE2 2.98Å; F141-F167 HydrophobicContact CB-CB 4.12Å; F141-F167 HydrophobicContact CB-CD2 4.14Å; F141-F167 HydrophobicContact CD1-CB 3.95Å; F141-F167 HydrophobicContact CD1-CD2 4.34Å; F141-F167 AromaticContact CD2-CD2 3.55Å; F141-F167 HydrophobicContact CD2-CD2 3.55Å; F141-F167 HydrophobicContact CD2-CE2 4.25Å; F141-F167 AromaticContact CE2-CD2 3.96Å; F141-F167 HydrophobicContact CE2-CD2 3.96Å; F141-F167 HydrophobicContact CG-CB 3.99Å; F141-F167 AromaticContact CG-CD2 3.76Å; F141-F167 HydrophobicContact CG-CD2 3.76Å; F141-F167 HydrophobicContact CG-CG 4.36Å; S163-F167 PolarHBondContact O-N 2.78Å; S164-F167 PolarHBondContact O-N 2.65Å; L165-F167 VanDerWaalsContact C-N 3.3Å; L165-F167 PolarHBondContact O-N 3.47Å; F167-A170 WeakPolarHBondContact O-CB 3.14Å; F167-A170 PolarHBondContact O-N 3.44Å; F167-H171 AromaticContact CE1-CE1 3.9Å; F167-H171 AromaticContact CE2-CE1 3.83Å; F167-H171 AromaticContact CZ-CE1 3.6Å; F167-H171 PolarHBondContact O-ND1 3.19Å; F167-F202 AromaticContact CE1-CD1 3.92Å; F167-F202 HydrophobicContact CE1-CD1 3.92Å; F167-F202 AromaticContact CE1-CE1 3.89Å; F167-F202 HydrophobicContact CE1-CE1 3.89Å; F167-F202 HydrophobicContact CZ-CE1 4.29Å |
| 168 | S | 96.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -72.4 | -43.5 | -175.3 | 66.8 | 0 | 0 | 0 | 0 | 111.8 | S164 L165 A170 H171 V196 T199 T200 | S164-S168 WeakPolarHBondContact O-CB 3.18Å; S164-S168 PolarHBondContact O-N 3.38Å; S164-S168 PolarHBondContact O-OG 2.84Å; S164-S168 VanDerWaalsContact O-OG 3.1Å; L165-S168 WeakPolarHBondContact CA-OG 3.24Å; L165-S168 PolarHBondContact O-N 3.32Å; L165-S168 PolarHBondContact O-OG 2.83Å; S168-A170 PolarHBondContact O-N 3.49Å; S168-H171 VanDerWaalsContact O-CB 3.25Å; S168-H171 WeakPolarHBondContact O-CB 3.39Å; S168-H171 PolarHBondContact O-N 3.4Å; S168-V196 WeakPolarHBondContact CB-O 3.23Å; S168-V196 WeakPolarHBondContact O-CG2 3.23Å; S168-T199 VanDerWaalsContact CB-OG1 3.24Å; S168-T199 WeakPolarHBondContact CB-OG1 3.22Å; S168-T200 WeakPolarHBondContact CB-OG1 3.07Å; S168-T200 PolarHBondContact OG-OG1 3.22Å |
| 169 | L | 96.1 | Very high | 93.9 | Very high | 89 Ų | 89 | 33.5 Ų | 33.5 | 47% | 0.466 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -62.3 | -27.5 | 178 | -66.4 | 174.9 | 0 | 0 | 0 | 112.4 | L165 H171 F172 V196 | L165-L169 HydrophobicContact CB-CD1 4.4Å; L165-L169 WeakPolarHBondContact O-CB 3.46Å; L165-L169 WeakPolarHBondContact O-CG 3.47Å; L165-L169 PolarHBondContact O-N 3.4Å; L169-H171 PolarHBondContact O-N 3.02Å; L169-F172 HydrophobicContact CD2-CD2 3.86Å; L169-F172 HydrophobicContact CD2-CE2 3.55Å; L169-F172 WeakPolarHBondContact O-CB 3.11Å; L169-F172 PolarHBondContact O-N 3.28Å; L169-F172 VanDerWaalsContact O-N 3.12Å; L169-V196 HydrophobicContact CD2-CG1 4.19Å |
| 170 | A | 94 | Very high | 93.6 | Very high | 11 Ų | 11 | 41.4 Ų | 41.4 | 9% | 0.091 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | -57.8 | -27.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | I15 F141 F166 F167 S168 F172 H173 | I15-A170 HydrophobicContact CD1-CB 3.55Å; I15-A170 HydrophobicContact CG1-CB 3.98Å; F141-A170 HydrophobicContact CE1-CB 4.44Å; F141-A170 HydrophobicContact CZ-CB 4.04Å; F166-A170 PolarHBondContact O-N 2.94Å; F167-A170 WeakPolarHBondContact O-CB 3.14Å; F167-A170 PolarHBondContact O-N 3.44Å; S168-A170 PolarHBondContact O-N 3.49Å; A170-F172 VanDerWaalsContact C-N 3.26Å; A170-F172 PolarHBondContact O-N 2.94Å; A170-H173 PolarHBondContact O-N 3Å; A170-H173 PolarHBondContact O-ND1 3.13Å |
| 171 | H | 93.4 | Very high | 93.2 | Very high | 23 Ų | 23 | 45.9 Ų | 45.9 | 11% | 0.106 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | -73.3 | -11.9 | 179.3 | -69.2 | 82.1 | 0 | 0 | 0 | 114.2 | F167 S168 L169 H173 H174 Q195 | F167-H171 AromaticContact CE1-CE1 3.9Å; F167-H171 AromaticContact CE2-CE1 3.83Å; F167-H171 AromaticContact CZ-CE1 3.6Å; F167-H171 PolarHBondContact O-ND1 3.19Å; S168-H171 VanDerWaalsContact O-CB 3.25Å; S168-H171 WeakPolarHBondContact O-CB 3.39Å; S168-H171 PolarHBondContact O-N 3.4Å; L169-H171 PolarHBondContact O-N 3.02Å; H171-H173 PolarHBondContact O-N 3.01Å; H171-H174 AromaticContact CD2-CD2 3.95Å; H171-H174 AromaticContact CD2-NE2 3.78Å; H171-H174 WeakPolarHBondContact O-CB 3.45Å; H171-H174 PolarHBondContact O-CD2 3.03Å; H171-H174 PolarHBondContact O-N 3.44Å; H171-Q195 HydrophobicContact CB-CG 4.16Å; H171-Q195 PolarHBondContact CD2-NE2 3.41Å |
| 172 | F | 93.6 | Very high | 92.9 | Very high | 61 Ų | 61 | 45.3 Ų | 45.3 | 27% | 0.268 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | -60.8 | -16.2 | 170.9 | -84.2 | -58.8 | 0 | 0 | 0 | 112.9 | L169 A170 H174 V175 F189 L193 V196 | L169-F172 HydrophobicContact CD2-CD2 3.86Å; L169-F172 HydrophobicContact CD2-CE2 3.55Å; L169-F172 WeakPolarHBondContact O-CB 3.11Å; L169-F172 PolarHBondContact O-N 3.28Å; L169-F172 VanDerWaalsContact O-N 3.12Å; A170-F172 VanDerWaalsContact C-N 3.26Å; A170-F172 PolarHBondContact O-N 2.94Å; F172-H174 PolarHBondContact O-N 3.49Å; F172-V175 HydrophobicContact CD1-CG2 4Å; F172-V175 WeakPolarHBondContact O-CB 3.41Å; F172-V175 WeakPolarHBondContact O-CG2 3.44Å; F172-V175 PolarHBondContact O-N 3.05Å; F172-F189 HydrophobicContact CE1-CD2 4.35Å; F172-F189 AromaticContact CE1-CE2 3.9Å; F172-F189 HydrophobicContact CE1-CE2 3.9Å; F172-F189 HydrophobicContact CE1-CZ 4.47Å; F172-F189 HydrophobicContact CZ-CE2 4.47Å; F172-L193 HydrophobicContact CZ-CD1 4.18Å; F172-V196 HydrophobicContact CD1-CG2 4.23Å; F172-V196 HydrophobicContact CD2-CG2 3.84Å; F172-V196 HydrophobicContact CE1-CG2 4.07Å; F172-V196 HydrophobicContact CE2-CB 4.44Å; F172-V196 HydrophobicContact CE2-CG1 4.27Å; F172-V196 HydrophobicContact CE2-CG2 3.69Å; F172-V196 HydrophobicContact CG-CG2 4.12Å; F172-V196 HydrophobicContact CZ-CB 4.41Å; F172-V196 HydrophobicContact CZ-CG2 3.8Å |
| 173 | H | 89.9 | Confident | 92.7 | Very high | 27 Ų | 27 | 46.9 Ų | 46.9 | 13% | 0.125 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -56.9 | -27.1 | 170.4 | 85.3 | -87.9 | 0 | 0 | 0 | 112.8 | I15 Y19 A170 H171 V175 F176 E177 | I15-H173 HydrophobicContact CG2-CB 3.88Å; Y19-H173 HydrophobicContact CE2-CB 3.88Å; Y19-H173 WeakPolarHBondContact OH-CB 3.41Å; Y19-H173 PolarHBondContact OH-O 3.45Å; A170-H173 PolarHBondContact O-N 3Å; A170-H173 PolarHBondContact O-ND1 3.13Å; H171-H173 PolarHBondContact O-N 3.01Å; H173-V175 PolarHBondContact O-N 3.45Å; H173-F176 PolarHBondContact O-N 3.3Å; H173-E177 PolarHBondContact O-N 2.95Å |
| 174 | H | 89.3 | Confident | 92.7 | Very high | 15 Ų | 15 | 50.9 Ų | 50.9 | 7% | 0.069 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.1 | -22.7 | 175.3 | -67.8 | -46.6 | 0 | 0 | 0 | 113.5 | R27 H171 F172 F176 E177 S178 Q195 | R27-H174 PolarHBondContact NH1-CE1 3.34Å; H171-H174 AromaticContact CD2-CD2 3.95Å; H171-H174 AromaticContact CD2-NE2 3.78Å; H171-H174 WeakPolarHBondContact O-CB 3.45Å; H171-H174 PolarHBondContact O-CD2 3.03Å; H171-H174 PolarHBondContact O-N 3.44Å; F172-H174 PolarHBondContact O-N 3.49Å; H174-F176 VanDerWaalsContact C-N 3.25Å; H174-F176 PolarHBondContact O-N 3.06Å; H174-E177 IonicContact CE1-OE2 3.84Å; H174-E177 IonicContact ND1-OE2 3.23Å; H174-E177 PolarHBondContact ND1-OE2 3.46Å; H174-E177 PolarHBondContact O-N 3Å; H174-E177 VanDerWaalsContact O-N 3.16Å; H174-S178 WeakPolarHBondContact O-CB 3.49Å; H174-S178 PolarHBondContact O-N 2.91Å; H174-S178 PolarHBondContact O-OG 2.77Å; H174-Q195 PolarHBondContact CD2-OE1 2.82Å |
| 175 | V | 92.3 | Very high | 92.6 | Very high | 21 Ų | 21 | 56.4 Ų | 56.4 | 13% | 0.127 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -56.1 | -45.9 | 172.8 | 178.4 | 0 | 0 | 0 | 0 | 110 | F172 H173 S178 V179 L185 A188 S192 | F172-V175 HydrophobicContact CD1-CG2 4Å; F172-V175 WeakPolarHBondContact O-CB 3.41Å; F172-V175 WeakPolarHBondContact O-CG2 3.44Å; F172-V175 PolarHBondContact O-N 3.05Å; H173-V175 PolarHBondContact O-N 3.45Å; V175-S178 PolarHBondContact O-N 3.25Å; V175-V179 HydrophobicContact CG1-CG2 4.42Å; V175-V179 WeakPolarHBondContact O-CB 3.43Å; V175-V179 VanDerWaalsContact O-CG2 3.27Å; V175-V179 WeakPolarHBondContact O-CG2 3.36Å; V175-V179 PolarHBondContact O-N 3.36Å; V175-L185 HydrophobicContact CG1-CD1 3.93Å; V175-A188 HydrophobicContact CG1-CB 4.29Å; V175-S192 VanDerWaalsContact CG2-CB 3.4Å; V175-S192 WeakPolarHBondContact CG2-OG 3.13Å; V175-S192 PolarHBondContact N-OG 2.72Å |
| 176 | F | 89.5 | Confident | 92.6 | Very high | 121 Ų | 121 | 60 Ų | 60 | 53% | 0.531 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -65.2 | -42.6 | 178.8 | 176.3 | -89.5 | 0 | 0 | 0 | 111.8 | Y19 H173 H174 K180 | Y19-F176 AromaticContact CE1-CD1 3.56Å; Y19-F176 HydrophobicContact CE1-CD1 3.56Å; Y19-F176 AromaticContact CE1-CE1 3.9Å; Y19-F176 HydrophobicContact CE1-CE1 3.9Å; Y19-F176 HydrophobicContact CE1-CG 4.43Å; H173-F176 PolarHBondContact O-N 3.3Å; H174-F176 VanDerWaalsContact C-N 3.25Å; H174-F176 PolarHBondContact O-N 3.06Å; F176-K180 HydrophobicContact CE1-CD 4.22Å; F176-K180 VanDerWaalsContact O-CB 3.26Å; F176-K180 WeakPolarHBondContact O-CB 3.48Å; F176-K180 PolarHBondContact O-N 3.27Å |
| 177 | E | 86 | Confident | 92.5 | Very high | 43 Ų | 43 | 60.2 Ų | 60.2 | 20% | 0.201 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.9 | -45.5 | 177.6 | -66.4 | -172 | 145.4 | 0 | 0 | 111.5 | R36 H173 H174 K180 S181 | R36-E177 IonicContact CZ-OE1 3.58Å; R36-E177 IonicContact NH1-OE1 3.45Å; R36-E177 PolarHBondContact NH1-OE1 3.17Å; R36-E177 IonicContact NH2-OE1 3.29Å; R36-E177 PolarHBondContact NH2-OE1 3.37Å; H173-E177 PolarHBondContact O-N 2.95Å; H174-E177 IonicContact CE1-OE2 3.84Å; H174-E177 IonicContact ND1-OE2 3.23Å; H174-E177 PolarHBondContact ND1-OE2 3.46Å; H174-E177 PolarHBondContact O-N 3Å; H174-E177 VanDerWaalsContact O-N 3.16Å; E177-K180 PolarHBondContact O-N 2.74Å; E177-S181 PolarHBondContact O-N 2.81Å; E177-S181 PolarHBondContact O-OG 2.66Å |
| 178 | S | 90.2 | Very high | 92.5 | Very high | 23 Ų | 23 | 60 Ų | 60 | 16% | 0.161 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -60.4 | -46.5 | 177 | -81.4 | 0 | 0 | 0 | 0 | 112.9 | H174 V175 K180 S181 G182 Q183 | H174-S178 WeakPolarHBondContact O-CB 3.49Å; H174-S178 PolarHBondContact O-N 2.91Å; H174-S178 PolarHBondContact O-OG 2.77Å; V175-S178 PolarHBondContact O-N 3.25Å; S178-K180 VanDerWaalsContact C-N 3.33Å; S178-S181 WeakPolarHBondContact CA-OG 3.35Å; S178-S181 PolarHBondContact O-N 2.9Å; S178-S181 PolarHBondContact O-OG 2.99Å; S178-G182 PolarHBondContact O-N 3.02Å; S178-Q183 VanDerWaalsContact CB-OE1 3.22Å; S178-Q183 VanDerWaalsContact O-CB 3.24Å; S178-Q183 WeakPolarHBondContact O-CB 3.48Å; S178-Q183 PolarHBondContact O-N 3.44Å; S178-Q183 PolarHBondContact OG-OE1 3.13Å; S178-Q183 VanDerWaalsContact OG-OE1 3.1Å |
| 179 | V | 92.9 | Very high | 92.5 | Very high | 61 Ų | 61 | 64.8 Ų | 64.8 | 37% | 0.37 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -64.6 | -41.5 | 177.5 | 172.1 | 0 | 0 | 0 | 0 | 110.5 | V175 S181 G182 Q183 L185 A188 | V175-V179 HydrophobicContact CG1-CG2 4.42Å; V175-V179 WeakPolarHBondContact O-CB 3.43Å; V175-V179 VanDerWaalsContact O-CG2 3.27Å; V175-V179 WeakPolarHBondContact O-CG2 3.36Å; V175-V179 PolarHBondContact O-N 3.36Å; V179-S181 VanDerWaalsContact C-N 3.25Å; V179-S181 PolarHBondContact O-N 3.3Å; V179-G182 PolarHBondContact O-N 2.96Å; V179-Q183 WeakPolarHBondContact CA-O 3.32Å; V179-L185 HydrophobicContact CG2-CB 4.34Å; V179-L185 HydrophobicContact CG2-CD1 3.85Å; V179-A188 HydrophobicContact CG2-CB 3.77Å |
| 180 | K | 88 | Confident | 92.5 | Very high | 166 Ų | 166 | 66.3 Ų | 66.3 | 72% | 0.722 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -63.2 | -31 | 175.4 | -172.9 | 179.8 | 178.3 | -176.4 | 0 | 112.6 | F176 E177 S178 G182 | F176-K180 HydrophobicContact CE1-CD 4.22Å; F176-K180 VanDerWaalsContact O-CB 3.26Å; F176-K180 WeakPolarHBondContact O-CB 3.48Å; F176-K180 PolarHBondContact O-N 3.27Å; E177-K180 PolarHBondContact O-N 2.74Å; S178-K180 VanDerWaalsContact C-N 3.33Å; K180-G182 PolarHBondContact O-N 2.93Å |
| 181 | S | 86.4 | Confident | 92.5 | Very high | 98 Ų | 98 | 69.2 Ų | 69.2 | 69% | 0.685 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | 5.1 | 173.5 | 59.7 | 0 | 0 | 0 | 0 | 114.3 | E177 S178 V179 | E177-S181 PolarHBondContact O-N 2.81Å; E177-S181 PolarHBondContact O-OG 2.66Å; S178-S181 WeakPolarHBondContact CA-OG 3.35Å; S178-S181 PolarHBondContact O-N 2.9Å; S178-S181 PolarHBondContact O-OG 2.99Å; V179-S181 VanDerWaalsContact C-N 3.25Å; V179-S181 PolarHBondContact O-N 3.3Å |
| 182 | G | 91.4 | Very high | 92.6 | Very high | 70 Ų | 70 | 68.2 Ų | 68.2 | 72% | 0.722 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.4 | 5.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | S178 V179 K180 | S178-G182 PolarHBondContact O-N 3.02Å; V179-G182 PolarHBondContact O-N 2.96Å; K180-G182 PolarHBondContact O-N 2.93Å |
| 183 | Q | 92.8 | Very high | 92.7 | Very high | 62 Ų | 62 | 69.4 Ų | 69.4 | 29% | 0.29 | 37% | 0.373 | S | S | . | . | trans | -71.9 | 141.8 | 170.8 | -166.4 | 176.6 | -1.4 | 0 | 0 | 109.5 | S178 V179 S187 A188 T191 | S178-Q183 VanDerWaalsContact CB-OE1 3.22Å; S178-Q183 VanDerWaalsContact O-CB 3.24Å; S178-Q183 WeakPolarHBondContact O-CB 3.48Å; S178-Q183 PolarHBondContact O-N 3.44Å; S178-Q183 PolarHBondContact OG-OE1 3.13Å; S178-Q183 VanDerWaalsContact OG-OE1 3.1Å; V179-Q183 WeakPolarHBondContact CA-O 3.32Å; Q183-S187 PolarHBondContact NE2-O 3.34Å; Q183-A188 HydrophobicContact CB-CB 4.49Å; Q183-A188 HydrophobicContact CG-CB 4.28Å; Q183-T191 PolarHBondContact NE2-OG1 3.21Å | ||
| 184 | D | 95.9 | Very high | 93 | Very high | 84 Ų | 84 | 74 Ų | 74 | 45% | 0.449 | 39% | 0.392 | S | S | . | . | trans | -65.7 | 151.3 | 173.7 | 74.9 | 88.8 | 0 | 0 | 0 | 111 | Q186 S187 A188 | D184-Q186 VanDerWaalsContact C-N 3.27Å; D184-Q186 PolarHBondContact O-N 2.83Å; D184-Q186 WeakPolarHBondContact OD1-CA 3.17Å; D184-Q186 WeakPolarHBondContact OD1-CB 3.49Å; D184-Q186 PolarHBondContact OD1-N 3.12Å; D184-S187 VanDerWaalsContact CG-OG 3.29Å; D184-S187 PolarHBondContact O-N 3.45Å; D184-S187 PolarHBondContact OD1-N 3.48Å; D184-S187 PolarHBondContact OD1-OG 3.24Å; D184-S187 WeakPolarHBondContact OD2-CB 3.49Å; D184-S187 PolarHBondContact OD2-OG 2.86Å; D184-A188 WeakPolarHBondContact O-CB 3.32Å; D184-A188 PolarHBondContact O-N 3.38Å | ||
| 185 | L | 95.9 | Very high | 93.3 | Very high | 116 Ų | 116 | 74.8 Ų | 74.8 | 61% | 0.607 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -59.4 | -37.4 | -174.9 | 179.8 | 62.9 | 0 | 0 | 0 | 112.6 | V175 V179 F189 | V175-L185 HydrophobicContact CG1-CD1 3.93Å; V179-L185 HydrophobicContact CG2-CB 4.34Å; V179-L185 HydrophobicContact CG2-CD1 3.85Å; L185-F189 VanDerWaalsContact O-CB 3.25Å; L185-F189 WeakPolarHBondContact O-CB 3.47Å; L185-F189 PolarHBondContact O-N 3.41Å |
| 186 | Q | 96.6 | Very high | 93.5 | Very high | 126 Ų | 126 | 74.4 Ų | 74.4 | 59% | 0.589 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -68.8 | -44.5 | -177.3 | -169 | -173.8 | 17.8 | 0 | 0 | 110.7 | D184 F189 K190 | D184-Q186 VanDerWaalsContact C-N 3.27Å; D184-Q186 PolarHBondContact O-N 2.83Å; D184-Q186 WeakPolarHBondContact OD1-CA 3.17Å; D184-Q186 WeakPolarHBondContact OD1-CB 3.49Å; D184-Q186 PolarHBondContact OD1-N 3.12Å; Q186-F189 PolarHBondContact O-N 3.36Å; Q186-K190 WeakPolarHBondContact O-CG 3.38Å; Q186-K190 PolarHBondContact O-N 3.47Å |
| 187 | S | 96 | Very high | 93.8 | Very high | 44 Ų | 44 | 74.8 Ų | 74.8 | 31% | 0.308 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -66 | -45 | 175.9 | -60.9 | 0 | 0 | 0 | 0 | 111.4 | Q183 D184 F189 K190 T191 | Q183-S187 PolarHBondContact NE2-O 3.34Å; D184-S187 VanDerWaalsContact CG-OG 3.29Å; D184-S187 PolarHBondContact O-N 3.45Å; D184-S187 PolarHBondContact OD1-N 3.48Å; D184-S187 PolarHBondContact OD1-OG 3.24Å; D184-S187 WeakPolarHBondContact OD2-CB 3.49Å; D184-S187 PolarHBondContact OD2-OG 2.86Å; S187-F189 VanDerWaalsContact C-N 3.29Å; S187-F189 PolarHBondContact O-N 3.12Å; S187-K190 PolarHBondContact O-N 3.41Å; S187-T191 PolarHBondContact O-N 2.93Å; S187-T191 PolarHBondContact O-OG1 3.47Å; S187-T191 VanDerWaalsContact O-OG1 3.1Å |
| 188 | A | 95.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 76 Ų | 76 | 0% | 0 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -58.7 | -41.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | V175 V179 Q183 D184 S192 | V175-A188 HydrophobicContact CG1-CB 4.29Å; V179-A188 HydrophobicContact CG2-CB 3.77Å; Q183-A188 HydrophobicContact CB-CB 4.49Å; Q183-A188 HydrophobicContact CG-CB 4.28Å; D184-A188 WeakPolarHBondContact O-CB 3.32Å; D184-A188 PolarHBondContact O-N 3.38Å; A188-S192 WeakPolarHBondContact O-CB 3.43Å; A188-S192 PolarHBondContact O-N 3.32Å; A188-S192 PolarHBondContact O-OG 3.23Å |
| 189 | F | 96.1 | Very high | 94.5 | Very high | 99 Ų | 99 | 75.3 Ų | 75.3 | 43% | 0.434 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -65.3 | -46.2 | 175.3 | -176 | -97.4 | 0 | 0 | 0 | 112.1 | F172 L185 Q186 S187 T191 S192 L193 | F172-F189 HydrophobicContact CE1-CD2 4.35Å; F172-F189 AromaticContact CE1-CE2 3.9Å; F172-F189 HydrophobicContact CE1-CE2 3.9Å; F172-F189 HydrophobicContact CE1-CZ 4.47Å; F172-F189 HydrophobicContact CZ-CE2 4.47Å; L185-F189 VanDerWaalsContact O-CB 3.25Å; L185-F189 WeakPolarHBondContact O-CB 3.47Å; L185-F189 PolarHBondContact O-N 3.41Å; Q186-F189 PolarHBondContact O-N 3.36Å; S187-F189 VanDerWaalsContact C-N 3.29Å; S187-F189 PolarHBondContact O-N 3.12Å; F189-T191 PolarHBondContact O-N 3.45Å; F189-S192 PolarHBondContact O-N 3.45Å; F189-L193 HydrophobicContact CE1-CD2 4.23Å; F189-L193 VanDerWaalsContact O-CB 3.3Å; F189-L193 WeakPolarHBondContact O-CB 3.38Å; F189-L193 PolarHBondContact O-N 3.45Å |
| 190 | K | 96.2 | Very high | 94.7 | Very high | 121 Ų | 121 | 73 Ų | 73 | 53% | 0.526 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -60.4 | -44.4 | 177.5 | -76.1 | 174 | -178.8 | 173.2 | 0 | 112.1 | Q186 S187 L193 F194 | Q186-K190 WeakPolarHBondContact O-CG 3.38Å; Q186-K190 PolarHBondContact O-N 3.47Å; S187-K190 PolarHBondContact O-N 3.41Å; K190-L193 PolarHBondContact O-N 3.42Å; K190-F194 PolarHBondContact O-N 3.36Å |
| 191 | T | 94.3 | Very high | 95.1 | Very high | 73 Ų | 73 | 69.6 Ų | 69.6 | 45% | 0.448 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -60.7 | -46.6 | 176.1 | -59.1 | 0 | 0 | 0 | 0 | 111.1 | Q183 S187 F189 L193 F194 Q195 | Q183-T191 PolarHBondContact NE2-OG1 3.21Å; S187-T191 PolarHBondContact O-N 2.93Å; S187-T191 PolarHBondContact O-OG1 3.47Å; S187-T191 VanDerWaalsContact O-OG1 3.1Å; F189-T191 PolarHBondContact O-N 3.45Å; T191-L193 PolarHBondContact O-N 3Å; T191-F194 PolarHBondContact O-N 3.4Å; T191-Q195 PolarHBondContact O-N 2.86Å |
| 192 | S | 95 | Very high | 95.6 | Very high | 1 Ų | 1 | 66.4 Ų | 66.4 | 1% | 0.007 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -68.6 | -34.8 | 179.8 | -58.5 | 0 | 0 | 0 | 0 | 112.3 | V175 A188 F189 Q195 V196 | V175-S192 VanDerWaalsContact CG2-CB 3.4Å; V175-S192 WeakPolarHBondContact CG2-OG 3.13Å; V175-S192 PolarHBondContact N-OG 2.72Å; A188-S192 WeakPolarHBondContact O-CB 3.43Å; A188-S192 PolarHBondContact O-N 3.32Å; A188-S192 PolarHBondContact O-OG 3.23Å; F189-S192 PolarHBondContact O-N 3.45Å; S192-Q195 CarbonylContact O-C 3.57Å; S192-Q195 WeakPolarHBondContact O-CA 3.2Å; S192-Q195 WeakPolarHBondContact O-CB 3.01Å; S192-Q195 PolarHBondContact O-N 3.39Å; S192-V196 WeakPolarHBondContact O-CG2 3.36Å; S192-V196 PolarHBondContact O-N 3.35Å |
| 193 | L | 96.5 | Very high | 95.9 | Very high | 87 Ų | 87 | 63 Ų | 63 | 46% | 0.455 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -64.9 | -43.7 | 175.4 | -178.2 | 64 | 0 | 0 | 0 | 111.4 | F172 F189 K190 T191 Q195 V196 F197 | F172-L193 HydrophobicContact CZ-CD1 4.18Å; F189-L193 HydrophobicContact CE1-CD2 4.23Å; F189-L193 VanDerWaalsContact O-CB 3.3Å; F189-L193 WeakPolarHBondContact O-CB 3.38Å; F189-L193 PolarHBondContact O-N 3.45Å; K190-L193 PolarHBondContact O-N 3.42Å; T191-L193 PolarHBondContact O-N 3Å; L193-Q195 VanDerWaalsContact C-N 3.26Å; L193-Q195 PolarHBondContact O-N 3.48Å; L193-V196 PolarHBondContact O-N 3.18Å; L193-F197 PolarHBondContact O-N 3.21Å |
| 194 | F | 95.5 | Very high | 96.1 | Very high | 122 Ų | 122 | 62.5 Ų | 62.5 | 54% | 0.535 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -60 | -40.8 | 171.6 | -179.4 | -103.4 | 0 | 0 | 0 | 110.9 | K190 T191 F197 Y198 L231 | K190-F194 PolarHBondContact O-N 3.36Å; T191-F194 PolarHBondContact O-N 3.4Å; F194-F197 WeakPolarHBondContact O-CB 3.38Å; F194-F197 PolarHBondContact O-N 3.1Å; F194-Y198 AromaticContact CD1-CD1 3.93Å; F194-Y198 HydrophobicContact CD1-CD1 3.93Å; F194-Y198 HydrophobicContact CD1-CE1 4.15Å; F194-Y198 AromaticContact CE1-CD1 3.85Å; F194-Y198 HydrophobicContact CE1-CD1 3.85Å; F194-Y198 HydrophobicContact CE1-CE1 4.2Å; F194-Y198 HydrophobicContact CZ-CD1 4.5Å; F194-Y198 WeakPolarHBondContact O-CD1 3.36Å; F194-Y198 PolarHBondContact O-N 3.31Å; F194-Y198 VanDerWaalsContact O-N 3.14Å; F194-L231 HydrophobicContact CE1-CD1 3.77Å; F194-L231 HydrophobicContact CZ-CD1 4.33Å |
| 195 | Q | 95.4 | Very high | 96.1 | Very high | 33 Ų | 33 | 59.2 Ų | 59.2 | 15% | 0.154 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.8 | -48.9 | 174.7 | -179.1 | 168.2 | 13.6 | 0 | 0 | 113.5 | H171 H174 T191 S192 L193 F197 Y198 T199 | H171-Q195 HydrophobicContact CB-CG 4.16Å; H171-Q195 PolarHBondContact CD2-NE2 3.41Å; H174-Q195 PolarHBondContact CD2-OE1 2.82Å; T191-Q195 PolarHBondContact O-N 2.86Å; S192-Q195 CarbonylContact O-C 3.57Å; S192-Q195 WeakPolarHBondContact O-CA 3.2Å; S192-Q195 WeakPolarHBondContact O-CB 3.01Å; S192-Q195 PolarHBondContact O-N 3.39Å; L193-Q195 VanDerWaalsContact C-N 3.26Å; L193-Q195 PolarHBondContact O-N 3.48Å; Q195-F197 VanDerWaalsContact C-N 3.26Å; Q195-F197 PolarHBondContact O-N 3.16Å; Q195-Y198 HydrophobicContact CB-CE1 3.88Å; Q195-Y198 HydrophobicContact CG-CE1 4Å; Q195-Y198 WeakPolarHBondContact CG-OH 3.46Å; Q195-Y198 PolarHBondContact O-N 2.98Å; Q195-T199 HydrophobicContact CG-CG2 4.1Å; Q195-T199 VanDerWaalsContact O-CB 3.32Å; Q195-T199 WeakPolarHBondContact O-CB 3.41Å; Q195-T199 VanDerWaalsContact O-CG2 3.29Å; Q195-T199 WeakPolarHBondContact O-CG2 3.43Å; Q195-T199 PolarHBondContact O-N 3.1Å; Q195-T199 PolarHBondContact O-OG1 3.13Å |
| 196 | V | 96.6 | Very high | 96.2 | Very high | 12 Ų | 12 | 53.7 Ų | 53.7 | 7% | 0.073 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58.3 | -40.3 | 176.6 | 170.7 | 0 | 0 | 0 | 0 | 110.8 | S168 L169 F172 S192 L193 T199 T200 | S168-V196 WeakPolarHBondContact CB-O 3.23Å; S168-V196 WeakPolarHBondContact O-CG2 3.23Å; L169-V196 HydrophobicContact CD2-CG1 4.19Å; F172-V196 HydrophobicContact CD1-CG2 4.23Å; F172-V196 HydrophobicContact CD2-CG2 3.84Å; F172-V196 HydrophobicContact CE1-CG2 4.07Å; F172-V196 HydrophobicContact CE2-CB 4.44Å; F172-V196 HydrophobicContact CE2-CG1 4.27Å; F172-V196 HydrophobicContact CE2-CG2 3.69Å; F172-V196 HydrophobicContact CG-CG2 4.12Å; F172-V196 HydrophobicContact CZ-CB 4.41Å; F172-V196 HydrophobicContact CZ-CG2 3.8Å; S192-V196 WeakPolarHBondContact O-CG2 3.36Å; S192-V196 PolarHBondContact O-N 3.35Å; L193-V196 PolarHBondContact O-N 3.18Å; V196-T199 WeakPolarHBondContact CA-OG1 3.34Å; V196-T199 PolarHBondContact O-OG1 3.39Å; V196-T200 WeakPolarHBondContact O-CB 3.02Å; V196-T200 PolarHBondContact O-N 2.6Å; V196-T200 PolarHBondContact O-OG1 2.83Å |
| 197 | F | 96.3 | Very high | 96.1 | Very high | 129 Ų | 129 | 47.8 Ų | 47.8 | 57% | 0.566 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -61.5 | -56.8 | 178.1 | 173.3 | -101.3 | 0 | 0 | 0 | 112.3 | L193 F194 Q195 T199 T200 L201 | L193-F197 PolarHBondContact O-N 3.21Å; F194-F197 WeakPolarHBondContact O-CB 3.38Å; F194-F197 PolarHBondContact O-N 3.1Å; Q195-F197 VanDerWaalsContact C-N 3.26Å; Q195-F197 PolarHBondContact O-N 3.16Å; F197-T199 VanDerWaalsContact C-N 3.35Å; F197-T199 PolarHBondContact O-N 3.22Å; F197-T200 WeakPolarHBondContact O-CB 3.38Å; F197-T200 PolarHBondContact O-N 3.07Å; F197-L201 HydrophobicContact CE1-CD1 3.79Å; F197-L201 HydrophobicContact CE2-CD1 4.4Å; F197-L201 HydrophobicContact CZ-CD1 3.73Å; F197-L201 HydrophobicContact CZ-CG 4.46Å; F197-L201 PolarHBondContact O-N 3.16Å |
| 198 | Y | 94.9 | Very high | 96.1 | Very high | 70 Ų | 70 | 46.5 Ų | 46.5 | 28% | 0.275 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -70.1 | -33.4 | -176.5 | 77.4 | -109.1 | 0 | 0 | 0 | 112.3 | F194 Q195 T200 L201 F202 L231 | F194-Y198 AromaticContact CD1-CD1 3.93Å; F194-Y198 HydrophobicContact CD1-CD1 3.93Å; F194-Y198 HydrophobicContact CD1-CE1 4.15Å; F194-Y198 AromaticContact CE1-CD1 3.85Å; F194-Y198 HydrophobicContact CE1-CD1 3.85Å; F194-Y198 HydrophobicContact CE1-CE1 4.2Å; F194-Y198 HydrophobicContact CZ-CD1 4.5Å; F194-Y198 WeakPolarHBondContact O-CD1 3.36Å; F194-Y198 PolarHBondContact O-N 3.31Å; F194-Y198 VanDerWaalsContact O-N 3.14Å; Q195-Y198 HydrophobicContact CB-CE1 3.88Å; Q195-Y198 HydrophobicContact CG-CE1 4Å; Q195-Y198 WeakPolarHBondContact CG-OH 3.46Å; Q195-Y198 PolarHBondContact O-N 2.98Å; Y198-T200 VanDerWaalsContact C-N 3.28Å; Y198-T200 PolarHBondContact O-N 3.25Å; Y198-L201 PolarHBondContact O-N 2.88Å; Y198-F202 WeakPolarHBondContact O-CB 3.23Å; Y198-F202 PolarHBondContact O-N 3.02Å; Y198-L231 HydrophobicContact CD1-CD1 3.68Å; Y198-L231 HydrophobicContact CD1-CD2 4.3Å; Y198-L231 HydrophobicContact CD1-CG 4.45Å; Y198-L231 HydrophobicContact CD2-CD1 4.37Å; Y198-L231 HydrophobicContact CD2-CD2 4Å; Y198-L231 HydrophobicContact CD2-CG 4.33Å; Y198-L231 HydrophobicContact CE1-CD1 3.61Å; Y198-L231 HydrophobicContact CE2-CD1 4.39Å; Y198-L231 HydrophobicContact CE2-CG 4.47Å; Y198-L231 HydrophobicContact CG-CD1 4.09Å; Y198-L231 HydrophobicContact CG-CD2 3.88Å; Y198-L231 HydrophobicContact CG-CG 4.38Å |
| 199 | T | 95.9 | Very high | 96.1 | Very high | 7 Ų | 7 | 46.5 Ų | 46.5 | 4% | 0.043 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -68.2 | -28.6 | 174.9 | 52.1 | 0 | 0 | 0 | 0 | 112.2 | S168 Q195 V196 F197 G203 | S168-T199 VanDerWaalsContact CB-OG1 3.24Å; S168-T199 WeakPolarHBondContact CB-OG1 3.22Å; Q195-T199 HydrophobicContact CG-CG2 4.1Å; Q195-T199 VanDerWaalsContact O-CB 3.32Å; Q195-T199 WeakPolarHBondContact O-CB 3.41Å; Q195-T199 VanDerWaalsContact O-CG2 3.29Å; Q195-T199 WeakPolarHBondContact O-CG2 3.43Å; Q195-T199 PolarHBondContact O-N 3.1Å; Q195-T199 PolarHBondContact O-OG1 3.13Å; V196-T199 WeakPolarHBondContact CA-OG1 3.34Å; V196-T199 PolarHBondContact O-OG1 3.39Å; F197-T199 VanDerWaalsContact C-N 3.35Å; F197-T199 PolarHBondContact O-N 3.22Å; T199-G203 PolarHBondContact O-N 3.25Å |
| 200 | T | 97.5 | Very high | 96.1 | Very high | 13 Ų | 13 | 41.8 Ų | 41.8 | 8% | 0.08 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.3 | -46.7 | 170.9 | -58.1 | 0 | 0 | 0 | 0 | 110.8 | F161 L165 S168 V196 F197 Y198 G203 M204 | F161-T200 HydrophobicContact CD2-CG2 4.19Å; F161-T200 HydrophobicContact CE2-CG2 4.1Å; L165-T200 HydrophobicContact CD2-CG2 4.13Å; S168-T200 WeakPolarHBondContact CB-OG1 3.07Å; S168-T200 PolarHBondContact OG-OG1 3.22Å; V196-T200 WeakPolarHBondContact O-CB 3.02Å; V196-T200 PolarHBondContact O-N 2.6Å; V196-T200 PolarHBondContact O-OG1 2.83Å; F197-T200 WeakPolarHBondContact O-CB 3.38Å; F197-T200 PolarHBondContact O-N 3.07Å; Y198-T200 VanDerWaalsContact C-N 3.28Å; Y198-T200 PolarHBondContact O-N 3.25Å; T200-G203 PolarHBondContact O-N 2.85Å; T200-M204 HydrophobicContact CG2-SD 4.44Å; T200-M204 WeakPolarHBondContact O-CG 3.45Å; T200-M204 PolarHBondContact O-N 2.68Å |
| 201 | L | 96.8 | Very high | 95.9 | Very high | 95 Ų | 95 | 36.3 Ų | 36.3 | 50% | 0.497 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -63.2 | -47.7 | 178 | -65.2 | 179.5 | 0 | 0 | 0 | 112.1 | F197 Y198 G203 M204 Y205 | F197-L201 HydrophobicContact CE1-CD1 3.79Å; F197-L201 HydrophobicContact CE2-CD1 4.4Å; F197-L201 HydrophobicContact CZ-CD1 3.73Å; F197-L201 HydrophobicContact CZ-CG 4.46Å; F197-L201 PolarHBondContact O-N 3.16Å; Y198-L201 PolarHBondContact O-N 2.88Å; L201-G203 VanDerWaalsContact C-N 3.26Å; L201-G203 PolarHBondContact O-N 2.94Å; L201-M204 PolarHBondContact O-N 3.19Å; L201-Y205 PolarHBondContact O-N 3.1Å |
| 202 | F | 96.5 | Very high | 95.8 | Very high | 30 Ų | 30 | 33.7 Ų | 33.7 | 13% | 0.132 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -54.7 | -47.3 | 172.8 | 158.8 | -101.6 | 0 | 0 | 0 | 110.7 | F167 Y198 M204 Y205 S206 T222 H223 C226 | F167-F202 AromaticContact CE1-CD1 3.92Å; F167-F202 HydrophobicContact CE1-CD1 3.92Å; F167-F202 AromaticContact CE1-CE1 3.89Å; F167-F202 HydrophobicContact CE1-CE1 3.89Å; F167-F202 HydrophobicContact CZ-CE1 4.29Å; Y198-F202 WeakPolarHBondContact O-CB 3.23Å; Y198-F202 PolarHBondContact O-N 3.02Å; F202-M204 VanDerWaalsContact C-N 3.32Å; F202-M204 PolarHBondContact O-N 2.97Å; F202-Y205 PolarHBondContact O-N 3.28Å; F202-S206 WeakPolarHBondContact O-CB 3.48Å; F202-S206 PolarHBondContact O-N 3.35Å; F202-T222 HydrophobicContact CE2-CG2 4.3Å; F202-H223 HydrophobicContact CE2-CB 4.2Å; F202-H223 HydrophobicContact CZ-CB 3.57Å; F202-H223 AromaticContact CZ-CD2 3.91Å; F202-H223 AromaticContact CZ-CG 3.53Å; F202-H223 AromaticContact CZ-ND1 3.89Å; F202-C226 HydrophobicContact CD2-CB 3.95Å; F202-C226 HydrophobicContact CE2-CB 3.88Å |
| 203 | G | 97.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.4 | -41.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | R142 S164 T199 T200 L201 Y205 S206 G207 | R142-G203 VanDerWaalsContact CZ-O 3.25Å; R142-G203 PolarHBondContact NH2-O 3.12Å; S164-G203 WeakPolarHBondContact OG-CA 3.21Å; S164-G203 PolarHBondContact OG-O 3.19Å; S164-G203 VanDerWaalsContact OG-O 3.12Å; T199-G203 PolarHBondContact O-N 3.25Å; T200-G203 PolarHBondContact O-N 2.85Å; L201-G203 VanDerWaalsContact C-N 3.26Å; L201-G203 PolarHBondContact O-N 2.94Å; G203-Y205 VanDerWaalsContact C-N 3.33Å; G203-Y205 PolarHBondContact O-N 3.17Å; G203-S206 PolarHBondContact O-N 3.23Å; G203-G207 PolarHBondContact O-N 3.08Å |
| 204 | M | 96.9 | Very high | 95.6 | Very high | 51 Ų | 51 | 29.6 Ų | 29.6 | 25% | 0.251 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -62.1 | -43.6 | 177.7 | -73.7 | 176.4 | 72.1 | 0 | 0 | 111 | V157 C160 F161 S164 T200 L201 F202 F208 | V157-M204 HydrophobicContact CG1-CE 4.46Å; C160-M204 HydrophobicContact CB-CB 4.46Å; C160-M204 HydrophobicContact CB-CG 4.5Å; F161-M204 HydrophobicContact CB-CE 4.18Å; F161-M204 HydrophobicContact CB-SD 4.33Å; F161-M204 HydrophobicContact CD2-CE 4.36Å; F161-M204 HydrophobicContact CD2-SD 3.74Å; S164-M204 PolarHBondContact OG-N 2.64Å; T200-M204 HydrophobicContact CG2-SD 4.44Å; T200-M204 WeakPolarHBondContact O-CG 3.45Å; T200-M204 PolarHBondContact O-N 2.68Å; L201-M204 PolarHBondContact O-N 3.19Å; F202-M204 VanDerWaalsContact C-N 3.32Å; F202-M204 PolarHBondContact O-N 2.97Å; M204-F208 VanDerWaalsContact O-CB 3.22Å; M204-F208 WeakPolarHBondContact O-CB 3.41Å; M204-F208 PolarHBondContact O-N 2.96Å |
| 205 | Y | 97.1 | Very high | 95.6 | Very high | 14 Ų | 14 | 24 Ų | 24 | 6% | 0.055 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -63.9 | -51.4 | 176.5 | 170.5 | -130.7 | 0 | 0 | 0 | 111.9 | L90 T91 M94 L201 F202 G203 G207 F208 L209 T222 W264 L268 | L90-Y205 VanDerWaalsContact CB-OH 3.23Å; L90-Y205 WeakPolarHBondContact CB-OH 3.16Å; T91-Y205 PolarHBondContact N-OH 3.25Å; T91-Y205 PolarHBondContact OG1-OH 3.3Å; M94-Y205 HydrophobicContact CE-CD1 4.22Å; M94-Y205 HydrophobicContact CE-CE1 3.96Å; M94-Y205 HydrophobicContact SD-CD1 4.29Å; M94-Y205 HydrophobicContact SD-CE1 4.2Å; L201-Y205 PolarHBondContact O-N 3.1Å; F202-Y205 PolarHBondContact O-N 3.28Å; G203-Y205 VanDerWaalsContact C-N 3.33Å; G203-Y205 PolarHBondContact O-N 3.17Å; Y205-G207 VanDerWaalsContact C-N 3.34Å; Y205-G207 PolarHBondContact O-N 3.33Å; Y205-F208 WeakPolarHBondContact O-CB 3.23Å; Y205-F208 PolarHBondContact O-N 3.4Å; Y205-L209 HydrophobicContact CD2-CD1 4.27Å; Y205-L209 HydrophobicContact CD2-CG 4.07Å; Y205-L209 HydrophobicContact CE1-CD1 4.23Å; Y205-L209 HydrophobicContact CE2-CD1 3.57Å; Y205-L209 HydrophobicContact CE2-CD2 3.87Å; Y205-L209 HydrophobicContact CE2-CG 3.66Å; Y205-L209 PolarHBondContact O-N 2.93Å; Y205-T222 HydrophobicContact CD1-CG2 3.72Å; Y205-T222 HydrophobicContact CE1-CG2 3.35Å; Y205-W264 AromaticContact CD2-CE2 3.99Å; Y205-W264 AromaticContact CD2-CZ2 3.54Å; Y205-W264 HydrophobicContact CD2-CZ2 3.54Å; Y205-W264 AromaticContact CD2-NE1 3.8Å; Y205-W264 AromaticContact CE2-CE2 3.85Å; Y205-W264 AromaticContact CE2-CZ2 3.9Å; Y205-W264 HydrophobicContact CE2-CZ2 3.9Å; Y205-W264 AromaticContact CE2-NE1 3.19Å; Y205-W264 HydrophobicContact CG-CZ2 4.08Å; Y205-W264 AromaticContact CZ-NE1 3.5Å; Y205-L268 HydrophobicContact CD2-CD1 4.26Å; Y205-L268 HydrophobicContact CE2-CD1 3.99Å |
| 206 | S | 97.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -56.9 | -47.1 | 177.6 | 176.7 | 0 | 0 | 0 | 0 | 111.7 | E138 F202 G203 L209 M210 S219 | E138-S206 PolarHBondContact OE2-OG 3.05Å; E138-S206 VanDerWaalsContact OE2-OG 3.06Å; F202-S206 WeakPolarHBondContact O-CB 3.48Å; F202-S206 PolarHBondContact O-N 3.35Å; G203-S206 PolarHBondContact O-N 3.23Å; S206-L209 PolarHBondContact O-N 3.46Å; S206-M210 PolarHBondContact O-N 2.66Å; S206-M210 VanDerWaalsContact O-N 3.14Å; S206-S219 PolarHBondContact O-OG 3.25Å; S206-S219 WeakPolarHBondContact OG-CA 3.35Å; S206-S219 WeakPolarHBondContact OG-CB 3.23Å; S206-S219 PolarHBondContact OG-OG 3.14Å; S206-S219 VanDerWaalsContact OG-OG 3.05Å |
| 207 | G | 95.8 | Very high | 95.7 | Very high | 2 Ų | 2 | 22.9 Ų | 22.9 | 2% | 0.021 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -64.3 | -40.4 | 178 | 0 | 0 | 0 | 0 | 0 | 112.6 | G203 Y205 L209 M210 L211 | G203-G207 PolarHBondContact O-N 3.08Å; Y205-G207 VanDerWaalsContact C-N 3.34Å; Y205-G207 PolarHBondContact O-N 3.33Å; G207-L209 PolarHBondContact O-N 3.44Å; G207-M210 PolarHBondContact O-N 3.15Å; G207-L211 WeakPolarHBondContact O-CG 3.41Å; G207-L211 PolarHBondContact O-N 3.29Å |
| 208 | F | 95 | Very high | 95.8 | Very high | 17 Ų | 17 | 16.8 Ų | 16.8 | 8% | 0.075 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -60.3 | -45.3 | 175.7 | 177 | -94.1 | 0 | 0 | 0 | 111.4 | C160 M204 Y205 M210 L211 R212 L268 Y269 T272 | C160-F208 PolarHBondContact SG-N 3.5Å; M204-F208 VanDerWaalsContact O-CB 3.22Å; M204-F208 WeakPolarHBondContact O-CB 3.41Å; M204-F208 PolarHBondContact O-N 2.96Å; Y205-F208 WeakPolarHBondContact O-CB 3.23Å; Y205-F208 PolarHBondContact O-N 3.4Å; F208-M210 PolarHBondContact O-N 3.14Å; F208-L211 PolarHBondContact O-N 3.38Å; F208-R212 HydrophobicContact CD1-CG 4.07Å; F208-R212 HydrophobicContact CD2-CG 4.11Å; F208-R212 HydrophobicContact CE1-CG 3.71Å; F208-R212 HydrophobicContact CE2-CG 3.77Å; F208-R212 HydrophobicContact CG-CG 4.26Å; F208-R212 HydrophobicContact CZ-CG 3.57Å; F208-R212 WeakPolarHBondContact O-CB 3.44Å; F208-R212 WeakPolarHBondContact O-CG 3.29Å; F208-R212 PolarHBondContact O-N 2.93Å; F208-L268 HydrophobicContact CD1-CD1 3.84Å; F208-L268 HydrophobicContact CD1-CD2 4.3Å; F208-L268 HydrophobicContact CD1-CG 4.11Å; F208-L268 HydrophobicContact CE1-CD1 3.66Å; F208-L268 HydrophobicContact CE1-CD2 4.03Å; F208-L268 HydrophobicContact CE1-CG 3.55Å; F208-L268 HydrophobicContact CZ-CG 4.25Å; F208-Y269 HydrophobicContact CE2-CE1 4.21Å; F208-Y269 HydrophobicContact CE2-CE2 4.46Å; F208-Y269 AromaticContact CE2-CZ 3.97Å; F208-Y269 HydrophobicContact CZ-CD1 4.32Å; F208-Y269 HydrophobicContact CZ-CD2 4.43Å; F208-Y269 HydrophobicContact CZ-CE1 4.07Å; F208-Y269 HydrophobicContact CZ-CE2 4.19Å; F208-Y269 HydrophobicContact CZ-CG 4.5Å; F208-Y269 AromaticContact CZ-CZ 4Å; F208-T272 HydrophobicContact CE1-CG2 4.18Å |
| 209 | L | 95.5 | Very high | 96 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -60.1 | -45.1 | 176.4 | -68 | -174.6 | 0 | 0 | 0 | 112 | I86 L90 Y205 S206 G207 L211 R212 T213 T222 L268 T272 | I86-L209 HydrophobicContact CG2-CD2 4.28Å; L90-L209 HydrophobicContact CD1-CD2 3.72Å; Y205-L209 HydrophobicContact CD2-CD1 4.27Å; Y205-L209 HydrophobicContact CD2-CG 4.07Å; Y205-L209 HydrophobicContact CE1-CD1 4.23Å; Y205-L209 HydrophobicContact CE2-CD1 3.57Å; Y205-L209 HydrophobicContact CE2-CD2 3.87Å; Y205-L209 HydrophobicContact CE2-CG 3.66Å; Y205-L209 PolarHBondContact O-N 2.93Å; S206-L209 PolarHBondContact O-N 3.46Å; G207-L209 PolarHBondContact O-N 3.44Å; L209-L211 PolarHBondContact O-N 2.89Å; L209-R212 PolarHBondContact O-N 3.27Å; L209-T213 WeakPolarHBondContact O-CB 3.02Å; L209-T213 VanDerWaalsContact O-CG2 3.3Å; L209-T213 WeakPolarHBondContact O-CG2 3.34Å; L209-T213 PolarHBondContact O-N 2.84Å; L209-T213 PolarHBondContact O-OG1 3.16Å; L209-T222 HydrophobicContact CD1-CG2 4.26Å; L209-T222 VanDerWaalsContact CD1-OG1 3.23Å; L209-T222 WeakPolarHBondContact CD1-OG1 3.35Å; L209-L268 HydrophobicContact CD2-CD1 4.35Å; L209-T272 HydrophobicContact CD2-CG2 3.58Å |
| 210 | M | 95.4 | Very high | 96.1 | Very high | 1 Ų | 1 | 14.6 Ų | 14.6 | 1% | 0.005 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -62.8 | -43.7 | 176.9 | 172.6 | -171.5 | 72.7 | 0 | 0 | 112.4 | F74 R142 T146 S206 G207 F208 R212 G214 N215 I216 S218 S219 | F74-M210 HydrophobicContact CB-CG 3.73Å; F74-M210 HydrophobicContact CB-SD 3.81Å; F74-M210 HydrophobicContact CD1-CG 3.97Å; F74-M210 HydrophobicContact CD2-CE 3.76Å; F74-M210 HydrophobicContact CD2-CG 4.11Å; F74-M210 HydrophobicContact CD2-SD 3.57Å; F74-M210 VanDerWaalsContact CD2-SD 3.57Å; F74-M210 HydrophobicContact CE2-CE 3.87Å; F74-M210 HydrophobicContact CE2-SD 4.31Å; F74-M210 HydrophobicContact CG-CE 4.28Å; F74-M210 HydrophobicContact CG-CG 3.66Å; F74-M210 HydrophobicContact CG-SD 3.71Å; F74-M210 HydrophobicContact CZ-CE 4.45Å; R142-M210 HydrophobicContact CB-CE 3.83Å; R142-M210 HydrophobicContact CB-SD 3.64Å; R142-M210 HydrophobicContact CG-CE 4.48Å; R142-M210 WeakPolarHBondContact O-CE 3.48Å; T146-M210 HydrophobicContact CG2-CE 4.15Å; S206-M210 PolarHBondContact O-N 2.66Å; S206-M210 VanDerWaalsContact O-N 3.14Å; G207-M210 PolarHBondContact O-N 3.15Å; F208-M210 PolarHBondContact O-N 3.14Å; M210-R212 VanDerWaalsContact C-N 3.33Å; M210-R212 PolarHBondContact O-N 3.4Å; M210-G214 VanDerWaalsContact O-CA 3.27Å; M210-G214 WeakPolarHBondContact O-CA 3.41Å; M210-G214 PolarHBondContact O-N 3.15Å; M210-N215 PolarHBondContact O-N 3.47Å; M210-I216 HydrophobicContact SD-CB 4.23Å; M210-I216 HydrophobicContact SD-CG1 4.17Å; M210-S218 WeakPolarHBondContact CA-OG 3.27Å; M210-S218 PolarHBondContact N-OG 2.9Å; M210-S218 VanDerWaalsContact N-OG 3.16Å; M210-S219 VanDerWaalsContact CB-OG 3.23Å; M210-S219 WeakPolarHBondContact CB-OG 3.24Å |
| 211 | L | 93.5 | Very high | 96.1 | Very high | 6 Ų | 6 | 15.6 Ų | 15.6 | 3% | 0.031 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -64.2 | -39.3 | 179.2 | -69.8 | 177 | 0 | 0 | 0 | 111.8 | F74 T146 L150 L159 C160 G207 F208 L209 | F74-L211 HydrophobicContact CE1-CD2 3.9Å; F74-L211 HydrophobicContact CE2-CD2 4.39Å; F74-L211 HydrophobicContact CZ-CD2 3.55Å; T146-L211 HydrophobicContact CG2-CD2 4.44Å; L150-L211 HydrophobicContact CD1-CD2 4.4Å; L159-L211 HydrophobicContact CD2-CD1 3.85Å; L159-L211 HydrophobicContact CD2-CD2 4.09Å; L159-L211 HydrophobicContact CG-CD1 4.31Å; C160-L211 VanDerWaalsContact SG-CD1 3.6Å; G207-L211 WeakPolarHBondContact O-CG 3.41Å; G207-L211 PolarHBondContact O-N 3.29Å; F208-L211 PolarHBondContact O-N 3.38Å; L209-L211 PolarHBondContact O-N 2.89Å |
| 212 | R | 92.6 | Very high | 96.2 | Very high | 18 Ų | 18 | 11 Ų | 11 | 7% | 0.068 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -79.8 | -28 | -178.1 | -66.5 | -72.6 | -65.4 | -150 | -4.2 | 114.3 | F208 L209 M210 Y269 T272 T274 W276 S277 S278 | F208-R212 HydrophobicContact CD1-CG 4.07Å; F208-R212 HydrophobicContact CD2-CG 4.11Å; F208-R212 HydrophobicContact CE1-CG 3.71Å; F208-R212 HydrophobicContact CE2-CG 3.77Å; F208-R212 HydrophobicContact CG-CG 4.26Å; F208-R212 HydrophobicContact CZ-CG 3.57Å; F208-R212 WeakPolarHBondContact O-CB 3.44Å; F208-R212 WeakPolarHBondContact O-CG 3.29Å; F208-R212 PolarHBondContact O-N 2.93Å; L209-R212 PolarHBondContact O-N 3.27Å; M210-R212 VanDerWaalsContact C-N 3.33Å; M210-R212 PolarHBondContact O-N 3.4Å; R212-Y269 PolarHBondContact NH2-O 3.05Å; R212-Y269 VanDerWaalsContact NH2-O 3.13Å; R212-T272 HydrophobicContact CB-CG2 4.43Å; R212-T272 PolarHBondContact NE-O 3.05Å; R212-T272 PolarHBondContact NE-OG1 3.32Å; R212-T272 PolarHBondContact NH2-O 3.18Å; R212-T274 PolarHBondContact O-OG1 2.89Å; R212-W276 CarbonylContact C-O 3.55Å; R212-W276 CarbonylContact O-C 3.21Å; R212-W276 VanDerWaalsContact O-O 3.14Å; R212-S277 PolarHBondContact O-N 3.33Å; R212-S278 PolarHBondContact NH1-O 3.27Å |
| 213 | T | 93.5 | Very high | 96.3 | Very high | 1 Ų | 1 | 9.9 Ų | 9.9 | 1% | 0.006 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -96.8 | -8.7 | 177.3 | 63.1 | 0 | 0 | 0 | 0 | 112.7 | A83 I86 L209 N215 S218 T274 W276 | A83-T213 HydrophobicContact CB-CG2 4.3Å; I86-T213 HydrophobicContact CB-CG2 4.45Å; I86-T213 HydrophobicContact CD1-CG2 3.93Å; I86-T213 HydrophobicContact CG2-CG2 4.16Å; L209-T213 WeakPolarHBondContact O-CB 3.02Å; L209-T213 VanDerWaalsContact O-CG2 3.3Å; L209-T213 WeakPolarHBondContact O-CG2 3.34Å; L209-T213 PolarHBondContact O-N 2.84Å; L209-T213 PolarHBondContact O-OG1 3.16Å; T213-N215 PolarHBondContact O-N 3.3Å; T213-S218 WeakPolarHBondContact OG1-CB 3.46Å; T213-S218 PolarHBondContact OG1-OG 3.43Å; T213-T274 HydrophobicContact CG2-CG2 4.26Å; T213-W276 VanDerWaalsContact C-CB 3.46Å; T213-W276 WeakPolarHBondContact O-CB 3.38Å |
| 214 | G | 93 | Very high | 96.3 | Very high | 1 Ų | 1 | 11.1 Ų | 11.1 | 1% | 0.01 | 6% | 0.061 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.7 | 14.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | R76 M210 | R76-G214 WeakPolarHBondContact CD-O 3.34Å; M210-G214 VanDerWaalsContact O-CA 3.27Å; M210-G214 WeakPolarHBondContact O-CA 3.41Å; M210-G214 PolarHBondContact O-N 3.15Å |
| 215 | N | 95.3 | Very high | 96.3 | Very high | 3 Ų | 3 | 10.5 Ų | 10.5 | 2% | 0.016 | 6% | 0.058 | C | C | . | . | trans | -140 | 124.5 | -169 | -160.6 | -50.8 | 0 | 0 | 0 | 112.7 | F74 R76 L80 A83 M210 T213 A217 S218 | F74-N215 CarbonylContact O-C 3.6Å; F74-N215 WeakPolarHBondContact O-CA 3.5Å; R76-N215 PolarHBondContact O-ND2 2.92Å; L80-N215 WeakPolarHBondContact CA-ND2 3.28Å; A83-N215 HydrophobicContact CB-CB 3.64Å; M210-N215 PolarHBondContact O-N 3.47Å; T213-N215 PolarHBondContact O-N 3.3Å; N215-A217 PolarHBondContact O-N 2.91Å; N215-A217 WeakPolarHBondContact OD1-CB 3.29Å; N215-A217 PolarHBondContact OD1-N 3.17Å; N215-S218 WeakPolarHBondContact O-CB 3.21Å; N215-S218 PolarHBondContact O-N 3.42Å; N215-S218 PolarHBondContact O-OG 3.14Å | ||
| 216 | I | 97.2 | Very high | 96.2 | Very high | 9 Ų | 9 | 10.4 Ų | 10.4 | 5% | 0.046 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -64.2 | -22.6 | -180 | -165 | 169 | 0 | 0 | 0 | 113.4 | F74 I75 E138 L139 R142 A143 M210 S218 S219 I220 | F74-I216 HydrophobicContact CB-CB 4.25Å; F74-I216 PolarHBondContact O-N 3.04Å; I75-I216 HydrophobicContact CG1-CG2 4.03Å; E138-I216 HydrophobicContact CB-CG1 4.43Å; L139-I216 HydrophobicContact CD2-CD1 4.1Å; R142-I216 HydrophobicContact CB-CD1 4.44Å; R142-I216 HydrophobicContact CB-CG1 4.46Å; A143-I216 HydrophobicContact CB-CD1 3.66Å; M210-I216 HydrophobicContact SD-CB 4.23Å; M210-I216 HydrophobicContact SD-CG1 4.17Å; I216-S218 PolarHBondContact O-N 2.95Å; I216-S219 WeakPolarHBondContact O-CB 3.29Å; I216-S219 PolarHBondContact O-N 3.36Å; I216-S219 VanDerWaalsContact O-N 3.08Å; I216-I220 HydrophobicContact CG1-CD1 4.2Å; I216-I220 HydrophobicContact CG1-CG1 4.4Å; I216-I220 HydrophobicContact CG2-CD1 4.25Å; I216-I220 PolarHBondContact O-N 3.37Å |
| 217 | A | 97.9 | Very high | 96.1 | Very high | 14 Ų | 14 | 13.4 Ų | 13.4 | 12% | 0.116 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -58.9 | -30.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | L80 V84 N215 I220 V221 | L80-A217 HydrophobicContact CD1-CB 3.26Å; V84-A217 HydrophobicContact CG2-CB 4.13Å; N215-A217 PolarHBondContact O-N 2.91Å; N215-A217 WeakPolarHBondContact OD1-CB 3.29Å; N215-A217 PolarHBondContact OD1-N 3.17Å; A217-I220 PolarHBondContact O-N 3.2Å; A217-V221 WeakPolarHBondContact O-CB 3.34Å; A217-V221 VanDerWaalsContact O-CG2 3.3Å; A217-V221 WeakPolarHBondContact O-CG2 3.23Å; A217-V221 PolarHBondContact O-N 3.11Å |
| 218 | S | 97.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -60.3 | -47.2 | 174.6 | 61.2 | 0 | 0 | 0 | 0 | 112 | S87 M210 T213 N215 I216 T222 | S87-S218 WeakPolarHBondContact OG-CA 3.14Å; S87-S218 WeakPolarHBondContact OG-CB 3.49Å; S87-S218 PolarHBondContact OG-O 3.26Å; M210-S218 WeakPolarHBondContact CA-OG 3.27Å; M210-S218 PolarHBondContact N-OG 2.9Å; M210-S218 VanDerWaalsContact N-OG 3.16Å; T213-S218 WeakPolarHBondContact OG1-CB 3.46Å; T213-S218 PolarHBondContact OG1-OG 3.43Å; N215-S218 WeakPolarHBondContact O-CB 3.21Å; N215-S218 PolarHBondContact O-N 3.42Å; N215-S218 PolarHBondContact O-OG 3.14Å; I216-S218 PolarHBondContact O-N 2.95Å; S218-T222 VanDerWaalsContact O-CB 3.24Å; S218-T222 WeakPolarHBondContact O-CB 3.41Å; S218-T222 PolarHBondContact O-N 3.46Å; S218-T222 PolarHBondContact O-OG1 2.9Å |
| 219 | S | 98.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -62.7 | -47.1 | 175 | -68.7 | 0 | 0 | 0 | 0 | 112.4 | E138 S206 M210 I216 V221 T222 H223 | E138-S219 WeakPolarHBondContact OE2-CB 3.39Å; S206-S219 PolarHBondContact O-OG 3.25Å; S206-S219 WeakPolarHBondContact OG-CA 3.35Å; S206-S219 WeakPolarHBondContact OG-CB 3.23Å; S206-S219 PolarHBondContact OG-OG 3.14Å; S206-S219 VanDerWaalsContact OG-OG 3.05Å; M210-S219 VanDerWaalsContact CB-OG 3.23Å; M210-S219 WeakPolarHBondContact CB-OG 3.24Å; I216-S219 WeakPolarHBondContact O-CB 3.29Å; I216-S219 PolarHBondContact O-N 3.36Å; I216-S219 VanDerWaalsContact O-N 3.08Å; S219-V221 PolarHBondContact O-N 3.48Å; S219-T222 PolarHBondContact O-N 3.33Å; S219-H223 VanDerWaalsContact O-CB 3.28Å; S219-H223 WeakPolarHBondContact O-CB 3.48Å; S219-H223 PolarHBondContact O-N 2.64Å |
| 220 | I | 98.5 | Very high | 95.7 | Very high | 31 Ų | 31 | 18 Ų | 18 | 16% | 0.159 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -61.7 | -45.2 | -178.5 | -65.9 | 163.1 | 0 | 0 | 0 | 110.8 | P134 L135 E138 I216 A217 H223 S224 | P134-I220 HydrophobicContact CB-CG2 4.36Å; L135-I220 HydrophobicContact CD1-CD1 3.8Å; E138-I220 HydrophobicContact CB-CG1 3.75Å; E138-I220 HydrophobicContact CG-CG1 4.04Å; I216-I220 HydrophobicContact CG1-CD1 4.2Å; I216-I220 HydrophobicContact CG1-CG1 4.4Å; I216-I220 HydrophobicContact CG2-CD1 4.25Å; I216-I220 PolarHBondContact O-N 3.37Å; A217-I220 PolarHBondContact O-N 3.2Å; I220-H223 PolarHBondContact O-N 3.28Å; I220-S224 WeakPolarHBondContact O-CB 3.34Å; I220-S224 PolarHBondContact O-N 2.77Å; I220-S224 PolarHBondContact O-OG 3.47Å |
| 221 | V | 98.4 | Very high | 95.6 | Very high | 34 Ų | 34 | 22.2 Ų | 22.2 | 21% | 0.206 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -67.3 | -45.3 | 178.8 | 170.7 | 0 | 0 | 0 | 0 | 110.9 | V84 V88 A217 S219 H223 S224 L225 | V84-V221 HydrophobicContact CG1-CG2 4.29Å; V84-V221 HydrophobicContact CG2-CG2 4.13Å; V88-V221 HydrophobicContact CG2-CG1 3.8Å; A217-V221 WeakPolarHBondContact O-CB 3.34Å; A217-V221 VanDerWaalsContact O-CG2 3.3Å; A217-V221 WeakPolarHBondContact O-CG2 3.23Å; A217-V221 PolarHBondContact O-N 3.11Å; S219-V221 PolarHBondContact O-N 3.48Å; V221-H223 VanDerWaalsContact C-N 3.31Å; V221-H223 PolarHBondContact O-N 3.35Å; V221-S224 PolarHBondContact O-N 3.02Å; V221-L225 HydrophobicContact CG1-CD1 4.01Å; V221-L225 HydrophobicContact CG1-CG 4.41Å; V221-L225 WeakPolarHBondContact O-CG 3.38Å; V221-L225 PolarHBondContact O-N 2.85Å |
| 222 | T | 98.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -58.9 | -44.1 | 176.8 | -60.6 | 0 | 0 | 0 | 0 | 111.3 | S87 F202 Y205 L209 S218 S219 L225 C226 | S87-T222 WeakPolarHBondContact CB-OG1 3.5Å; F202-T222 HydrophobicContact CE2-CG2 4.3Å; Y205-T222 HydrophobicContact CD1-CG2 3.72Å; Y205-T222 HydrophobicContact CE1-CG2 3.35Å; L209-T222 HydrophobicContact CD1-CG2 4.26Å; L209-T222 VanDerWaalsContact CD1-OG1 3.23Å; L209-T222 WeakPolarHBondContact CD1-OG1 3.35Å; S218-T222 VanDerWaalsContact O-CB 3.24Å; S218-T222 WeakPolarHBondContact O-CB 3.41Å; S218-T222 PolarHBondContact O-N 3.46Å; S218-T222 PolarHBondContact O-OG1 2.9Å; S219-T222 PolarHBondContact O-N 3.33Å; T222-L225 PolarHBondContact O-N 3.36Å; T222-C226 WeakPolarHBondContact O-CB 3.49Å; T222-C226 PolarHBondContact O-N 3.18Å; T222-C226 PolarHBondContact O-SG 3.16Å |
| 223 | H | 98.2 | Very high | 95.6 | Very high | 6 Ų | 6 | 28 Ų | 28 | 3% | 0.028 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -59.7 | -50.4 | 174.5 | -167.2 | 156.7 | 0 | 0 | 0 | 110.9 | P134 E137 E138 F202 S219 I220 V221 L225 C226 N227 | P134-H223 HydrophobicContact CB-CB 4Å; P134-H223 HydrophobicContact CG-CB 4.44Å; E137-H223 IonicContact OE2-CE1 2.64Å; E137-H223 PolarHBondContact OE2-CE1 3.26Å; E137-H223 VanDerWaalsContact OE2-CE1 3.23Å; E137-H223 IonicContact OE2-NE2 3.8Å; E138-H223 HydrophobicContact CG-CB 4.26Å; E138-H223 IonicContact OE1-CE1 3.19Å; E138-H223 IonicContact OE1-CG 2.66Å; E138-H223 IonicContact OE1-ND1 3.18Å; E138-H223 PolarHBondContact OE1-ND1 3.22Å; F202-H223 HydrophobicContact CE2-CB 4.2Å; F202-H223 HydrophobicContact CZ-CB 3.57Å; F202-H223 AromaticContact CZ-CD2 3.91Å; F202-H223 AromaticContact CZ-CG 3.53Å; F202-H223 AromaticContact CZ-ND1 3.89Å; S219-H223 VanDerWaalsContact O-CB 3.28Å; S219-H223 WeakPolarHBondContact O-CB 3.48Å; S219-H223 PolarHBondContact O-N 2.64Å; I220-H223 PolarHBondContact O-N 3.28Å; V221-H223 VanDerWaalsContact C-N 3.31Å; V221-H223 PolarHBondContact O-N 3.35Å; H223-L225 VanDerWaalsContact C-N 3.28Å; H223-L225 PolarHBondContact O-N 3.37Å; H223-C226 PolarHBondContact O-N 3.4Å; H223-N227 VanDerWaalsContact CD2-CG 3.49Å; H223-N227 PolarHBondContact CD2-ND2 3.14Å; H223-N227 PolarHBondContact CD2-OD1 2.93Å; H223-N227 PolarHBondContact NE2-ND2 2.69Å; H223-N227 VanDerWaalsContact NE2-ND2 3.15Å; H223-N227 WeakPolarHBondContact O-CB 3.49Å; H223-N227 PolarHBondContact O-N 3.36Å |
| 224 | S | 97.3 | Very high | 95.6 | Very high | 26 Ų | 26 | 31.5 Ų | 31.5 | 18% | 0.182 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -57.4 | -42.4 | -179.8 | -54.5 | 0 | 0 | 0 | 0 | 111.9 | F130 P134 I220 V221 N227 F228 | F130-S224 WeakPolarHBondContact O-CB 3.29Å; F130-S224 PolarHBondContact O-OG 2.87Å; F130-S224 VanDerWaalsContact O-OG 3.07Å; P134-S224 WeakPolarHBondContact CB-OG 3.33Å; I220-S224 WeakPolarHBondContact O-CB 3.34Å; I220-S224 PolarHBondContact O-N 2.77Å; I220-S224 PolarHBondContact O-OG 3.47Å; V221-S224 PolarHBondContact O-N 3.02Å; S224-N227 PolarHBondContact O-N 2.94Å; S224-F228 PolarHBondContact O-N 3.41Å |
| 225 | L | 96.2 | Very high | 95.7 | Very high | 37 Ų | 37 | 37.2 Ų | 37.2 | 19% | 0.194 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -68.3 | -44.4 | 176.4 | -70.3 | 174 | 0 | 0 | 0 | 112.5 | V88 T91 V221 T222 H223 N227 F228 F229 | V88-L225 HydrophobicContact CB-CD1 4.49Å; V88-L225 HydrophobicContact CG2-CD1 4.18Å; T91-L225 HydrophobicContact CG2-CB 3.78Å; T91-L225 HydrophobicContact CG2-CD1 4.1Å; V221-L225 HydrophobicContact CG1-CD1 4.01Å; V221-L225 HydrophobicContact CG1-CG 4.41Å; V221-L225 WeakPolarHBondContact O-CG 3.38Å; V221-L225 PolarHBondContact O-N 2.85Å; T222-L225 PolarHBondContact O-N 3.36Å; H223-L225 VanDerWaalsContact C-N 3.28Å; H223-L225 PolarHBondContact O-N 3.37Å; L225-N227 VanDerWaalsContact C-N 3.29Å; L225-N227 PolarHBondContact O-N 3.5Å; L225-F228 WeakPolarHBondContact O-CA 3.35Å; L225-F228 WeakPolarHBondContact O-CB 3.37Å; L225-F228 PolarHBondContact O-N 2.89Å; L225-F229 HydrophobicContact CB-CE2 4.49Å; L225-F229 HydrophobicContact CD2-CE2 4.42Å; L225-F229 WeakPolarHBondContact O-CD2 3.19Å; L225-F229 PolarHBondContact O-N 3.43Å |
| 226 | C | 96.6 | Very high | 95.7 | Very high | 13 Ų | 13 | 37.4 Ų | 37.4 | 9% | 0.088 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.3 | -36.7 | 175.3 | -72.3 | 0 | 0 | 0 | 0 | 112 | F202 T222 H223 F228 G230 | F202-C226 HydrophobicContact CD2-CB 3.95Å; F202-C226 HydrophobicContact CE2-CB 3.88Å; T222-C226 WeakPolarHBondContact O-CB 3.49Å; T222-C226 PolarHBondContact O-N 3.18Å; T222-C226 PolarHBondContact O-SG 3.16Å; H223-C226 PolarHBondContact O-N 3.4Å; C226-F228 VanDerWaalsContact C-N 3.31Å; C226-G230 WeakPolarHBondContact O-CA 3.41Å; C226-G230 PolarHBondContact O-N 3.44Å |
| 227 | N | 95.1 | Very high | 95.6 | Very high | 62 Ų | 62 | 37 Ų | 37 | 33% | 0.332 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -68.4 | -32.2 | 173.1 | -77.4 | -3 | 0 | 0 | 0 | 112.1 | N129 F130 H223 S224 L225 | N129-N227 PolarHBondContact O-ND2 3.5Å; F130-N227 HydrophobicContact CD1-CB 4.15Å; F130-N227 HydrophobicContact CE1-CB 4.44Å; H223-N227 VanDerWaalsContact CD2-CG 3.49Å; H223-N227 PolarHBondContact CD2-ND2 3.14Å; H223-N227 PolarHBondContact CD2-OD1 2.93Å; H223-N227 PolarHBondContact NE2-ND2 2.69Å; H223-N227 VanDerWaalsContact NE2-ND2 3.15Å; H223-N227 WeakPolarHBondContact O-CB 3.49Å; H223-N227 PolarHBondContact O-N 3.36Å; S224-N227 PolarHBondContact O-N 2.94Å; L225-N227 VanDerWaalsContact C-N 3.29Å; L225-N227 PolarHBondContact O-N 3.5Å |
| 228 | F | 91.7 | Very high | 95.6 | Very high | 51 Ų | 51 | 37.8 Ų | 37.8 | 22% | 0.224 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -68.6 | -51.1 | 175.9 | 177 | -94.2 | 0 | 0 | 0 | 112.1 | I111 W117 F130 S224 L225 C226 | I111-F228 HydrophobicContact CD1-CZ 4.19Å; W117-F228 AromaticContact CH2-CE2 3.86Å; W117-F228 HydrophobicContact CH2-CE2 3.86Å; W117-F228 HydrophobicContact CH2-CZ 4.44Å; F130-F228 HydrophobicContact CD1-CB 4.4Å; F130-F228 HydrophobicContact CE1-CB 4.18Å; F130-F228 HydrophobicContact CE1-CD2 4.5Å; F130-F228 HydrophobicContact CZ-CD2 4.24Å; S224-F228 PolarHBondContact O-N 3.41Å; L225-F228 WeakPolarHBondContact O-CA 3.35Å; L225-F228 WeakPolarHBondContact O-CB 3.37Å; L225-F228 PolarHBondContact O-N 2.89Å; C226-F228 VanDerWaalsContact C-N 3.31Å |
| 229 | F | 92.3 | Very high | 95.5 | Very high | 34 Ų | 34 | 43.8 Ų | 43.8 | 15% | 0.149 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -76 | -28.6 | -179.5 | -67.9 | -64.6 | 0 | 0 | 0 | 113.1 | L92 Y95 V98 V99 L225 | L92-F229 HydrophobicContact CD2-CE2 3.9Å; L92-F229 HydrophobicContact CD2-CZ 3.66Å; Y95-F229 HydrophobicContact CD1-CB 3.51Å; Y95-F229 HydrophobicContact CD1-CD1 4.49Å; Y95-F229 HydrophobicContact CD1-CD2 4.16Å; Y95-F229 AromaticContact CD1-CG 3.82Å; Y95-F229 HydrophobicContact CD1-CG 3.82Å; Y95-F229 HydrophobicContact CD2-CB 4.4Å; Y95-F229 AromaticContact CD2-CD2 3.78Å; Y95-F229 HydrophobicContact CD2-CD2 3.78Å; Y95-F229 HydrophobicContact CD2-CE2 4.44Å; Y95-F229 HydrophobicContact CD2-CG 4.29Å; Y95-F229 HydrophobicContact CE1-CB 3.4Å; Y95-F229 HydrophobicContact CE1-CG 4.18Å; Y95-F229 HydrophobicContact CE2-CB 4.31Å; Y95-F229 HydrophobicContact CE2-CD2 4.18Å; Y95-F229 HydrophobicContact CG-CB 4.04Å; Y95-F229 AromaticContact CG-CD2 3.78Å; Y95-F229 HydrophobicContact CG-CD2 3.78Å; Y95-F229 HydrophobicContact CG-CE2 4.42Å; Y95-F229 AromaticContact CG-CG 3.9Å; Y95-F229 HydrophobicContact CG-CG 3.9Å; V98-F229 HydrophobicContact CG1-CD1 4.1Å; V99-F229 HydrophobicContact CG2-CE1 3.95Å; V99-F229 HydrophobicContact CG2-CZ 4.03Å; L225-F229 HydrophobicContact CB-CE2 4.49Å; L225-F229 HydrophobicContact CD2-CE2 4.42Å; L225-F229 WeakPolarHBondContact O-CD2 3.19Å; L225-F229 PolarHBondContact O-N 3.43Å |
| 230 | G | 92.9 | Very high | 95.4 | Very high | 30 Ų | 30 | 48.4 Ų | 48.4 | 31% | 0.309 | 26% | 0.257 | S | S | . | . | trans | 68.6 | -167.8 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y95 C226 | Y95-G230 VanDerWaalsContact CE1-O 3.29Å; Y95-G230 WeakPolarHBondContact CE1-O 3.49Å; Y95-G230 PolarHBondContact OH-O 2.89Å; Y95-G230 VanDerWaalsContact OH-O 3.05Å; C226-G230 WeakPolarHBondContact O-CA 3.41Å; C226-G230 PolarHBondContact O-N 3.44Å | ||
| 231 | L | 92.7 | Very high | 95.3 | Very high | 90 Ų | 90 | 47 Ų | 47 | 47% | 0.471 | 25% | 0.25 | S | C | . | . | S | Bend | trans | -70.3 | 132.1 | 171.4 | -80.3 | 168.1 | 0 | 0 | 0 | 109.9 | F194 Y198 D233 | F194-L231 HydrophobicContact CE1-CD1 3.77Å; F194-L231 HydrophobicContact CZ-CD1 4.33Å; Y198-L231 HydrophobicContact CD1-CD1 3.68Å; Y198-L231 HydrophobicContact CD1-CD2 4.3Å; Y198-L231 HydrophobicContact CD1-CG 4.45Å; Y198-L231 HydrophobicContact CD2-CD1 4.37Å; Y198-L231 HydrophobicContact CD2-CD2 4Å; Y198-L231 HydrophobicContact CD2-CG 4.33Å; Y198-L231 HydrophobicContact CE1-CD1 3.61Å; Y198-L231 HydrophobicContact CE2-CD1 4.39Å; Y198-L231 HydrophobicContact CE2-CG 4.47Å; Y198-L231 HydrophobicContact CG-CD1 4.09Å; Y198-L231 HydrophobicContact CG-CD2 3.88Å; Y198-L231 HydrophobicContact CG-CG 4.38Å; L231-D233 PolarHBondContact O-N 3.31Å; L231-D233 VanDerWaalsContact O-N 3.12Å |
| 232 | P | 93 | Very high | 95.2 | Very high | 62 Ų | 62 | 50.7 Ų | 50.7 | 40% | 0.403 | 26% | 0.263 | S | S | . | . | trans | -56.4 | 117.5 | 175.5 | -26.5 | 34.7 | 0 | 0 | 0 | 112.4 | Y95 V98 L234 | Y95-P232 HydrophobicContact CD1-CG 4.2Å; Y95-P232 HydrophobicContact CE1-CG 3.78Å; V98-P232 HydrophobicContact CG2-CB 3.75Å; V98-P232 HydrophobicContact CG2-CG 4.07Å; P232-L234 VanDerWaalsContact C-N 3.3Å; P232-L234 PolarHBondContact O-N 3.4Å | ||
| 233 | D | 93.1 | Very high | 95.1 | Very high | 84 Ų | 84 | 61 Ų | 61 | 45% | 0.449 | 30% | 0.304 | S | S | . | . | trans | -82 | 74 | 172.9 | 173.3 | 28.9 | 0 | 0 | 0 | 110.2 | L231 I235 G236 A237 R240 | L231-D233 PolarHBondContact O-N 3.31Å; L231-D233 VanDerWaalsContact O-N 3.12Å; D233-I235 VanDerWaalsContact C-N 3.27Å; D233-I235 PolarHBondContact O-N 2.92Å; D233-G236 PolarHBondContact O-N 3.39Å; D233-G236 PolarHBondContact OD1-N 2.92Å; D233-G236 VanDerWaalsContact OD2-CA 3.25Å; D233-G236 WeakPolarHBondContact OD2-CA 3.22Å; D233-A237 VanDerWaalsContact O-CB 3.3Å; D233-A237 WeakPolarHBondContact O-CB 3.36Å; D233-A237 PolarHBondContact O-N 3.13Å; D233-R240 IonicContact OD2-CZ 3.58Å; D233-R240 IonicContact OD2-NH1 3.65Å; D233-R240 PolarHBondContact OD2-NH1 2.87Å; D233-R240 IonicContact OD2-NH2 2.71Å | ||
| 234 | L | 94 | Very high | 94.9 | Very high | 74 Ų | 74 | 64 Ų | 64 | 39% | 0.387 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -60 | -38.6 | -176.9 | -179.2 | 62.3 | 0 | 0 | 0 | 112 | P232 A237 I238 H257 | P232-L234 VanDerWaalsContact C-N 3.3Å; P232-L234 PolarHBondContact O-N 3.4Å; L234-A237 PolarHBondContact O-N 2.83Å; L234-I238 HydrophobicContact CD1-CD1 4.01Å; L234-I238 HydrophobicContact CD1-CG1 4.28Å; L234-I238 HydrophobicContact CG-CD1 3.84Å; L234-I238 WeakPolarHBondContact O-CB 3.49Å; L234-I238 WeakPolarHBondContact O-CD1 3.27Å; L234-I238 WeakPolarHBondContact O-CG1 3.32Å; L234-I238 PolarHBondContact O-N 3.48Å; L234-H257 HydrophobicContact CD1-CB 4.06Å |
| 235 | I | 95.9 | Very high | 94.8 | Very high | 121 Ų | 121 | 68 Ų | 68 | 62% | 0.621 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -66.6 | -52 | -178.8 | -62.5 | 175.6 | 0 | 0 | 0 | 109.6 | D233 A237 I238 E239 | D233-I235 VanDerWaalsContact C-N 3.27Å; D233-I235 PolarHBondContact O-N 2.92Å; I235-A237 VanDerWaalsContact C-N 3.3Å; I235-A237 PolarHBondContact O-N 3.11Å; I235-I238 PolarHBondContact O-N 3.35Å; I235-E239 WeakPolarHBondContact O-CG 3.47Å; I235-E239 PolarHBondContact O-N 2.98Å |
| 236 | G | 95.6 | Very high | 94.8 | Very high | 8 Ų | 8 | 67.8 Ų | 67.8 | 8% | 0.082 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -63.8 | -35.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | D233 I238 E239 R240 | D233-G236 PolarHBondContact O-N 3.39Å; D233-G236 PolarHBondContact OD1-N 2.92Å; D233-G236 VanDerWaalsContact OD2-CA 3.25Å; D233-G236 WeakPolarHBondContact OD2-CA 3.22Å; G236-I238 PolarHBondContact O-N 2.57Å; G236-E239 PolarHBondContact O-N 3.34Å; G236-R240 VanDerWaalsContact C-NH1 3.31Å; G236-R240 WeakPolarHBondContact O-CB 3.39Å; G236-R240 VanDerWaalsContact O-CG 3.28Å; G236-R240 WeakPolarHBondContact O-CG 3.49Å; G236-R240 PolarHBondContact O-N 3.23Å; G236-R240 PolarHBondContact O-NH1 3.35Å |
| 237 | A | 94.8 | Very high | 94.8 | Very high | 1 Ų | 1 | 73 Ų | 73 | 1% | 0.008 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -62.1 | -42.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | D101 D233 L234 I235 A241 | D101-A237 HydrophobicContact CB-CB 4.38Å; D101-A237 WeakPolarHBondContact OD2-CA 3.46Å; D101-A237 WeakPolarHBondContact OD2-CB 3.34Å; D233-A237 VanDerWaalsContact O-CB 3.3Å; D233-A237 WeakPolarHBondContact O-CB 3.36Å; D233-A237 PolarHBondContact O-N 3.13Å; L234-A237 PolarHBondContact O-N 2.83Å; I235-A237 VanDerWaalsContact C-N 3.3Å; I235-A237 PolarHBondContact O-N 3.11Å; A237-A241 VanDerWaalsContact O-CB 3.24Å; A237-A241 WeakPolarHBondContact O-CB 3.25Å; A237-A241 PolarHBondContact O-N 3.49Å |
| 238 | I | 96.7 | Very high | 94.9 | Very high | 30 Ų | 30 | 74 Ų | 74 | 15% | 0.154 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -63.3 | -43.3 | 175.2 | -70.7 | 165.3 | 0 | 0 | 0 | 110.9 | L234 I235 G236 A241 K242 Q250 A253 I254 | L234-I238 HydrophobicContact CD1-CD1 4.01Å; L234-I238 HydrophobicContact CD1-CG1 4.28Å; L234-I238 HydrophobicContact CG-CD1 3.84Å; L234-I238 WeakPolarHBondContact O-CB 3.49Å; L234-I238 WeakPolarHBondContact O-CD1 3.27Å; L234-I238 WeakPolarHBondContact O-CG1 3.32Å; L234-I238 PolarHBondContact O-N 3.48Å; I235-I238 PolarHBondContact O-N 3.35Å; G236-I238 PolarHBondContact O-N 2.57Å; I238-A241 PolarHBondContact O-N 3.37Å; I238-K242 WeakPolarHBondContact O-CB 3.47Å; I238-K242 PolarHBondContact O-N 3.32Å; I238-Q250 HydrophobicContact CG2-CB 4.09Å; I238-Q250 HydrophobicContact CG2-CG 3.87Å; I238-Q250 VanDerWaalsContact CG2-NE2 3.31Å; I238-A253 HydrophobicContact CG1-CB 4.24Å; I238-I254 HydrophobicContact CD1-CD1 4Å; I238-I254 HydrophobicContact CD1-CG1 3.55Å; I238-I254 HydrophobicContact CG1-CD1 4.44Å; I238-I254 HydrophobicContact CG1-CG1 3.81Å |
| 239 | E | 96.9 | Very high | 95.1 | Very high | 126 Ų | 126 | 71.6 Ų | 71.6 | 59% | 0.589 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -65.1 | -46.7 | 178.5 | -71.8 | 179.6 | 170.1 | 0 | 0 | 111.8 | I235 G236 A241 K242 Y243 | I235-E239 WeakPolarHBondContact O-CG 3.47Å; I235-E239 PolarHBondContact O-N 2.98Å; G236-E239 PolarHBondContact O-N 3.34Å; E239-A241 VanDerWaalsContact C-N 3.33Å; E239-A241 PolarHBondContact O-N 2.88Å; E239-K242 WeakPolarHBondContact O-CB 3.35Å; E239-K242 PolarHBondContact O-N 3.16Å; E239-Y243 PolarHBondContact O-N 3.07Å |
| 240 | R | 95.2 | Very high | 95.4 | Very high | 96 Ų | 96 | 72.2 Ų | 72.2 | 36% | 0.362 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -59.1 | -42.9 | 174.3 | -73.2 | -175.3 | -67.6 | -87.5 | 8.4 | 111.4 | D101 D233 G236 Y243 R244 | D101-R240 IonicContact OD1-NE 3.49Å; D101-R240 IonicContact OD2-CZ 2.95Å; D101-R240 IonicContact OD2-NE 3.6Å; D101-R240 PolarHBondContact OD2-NE 3.43Å; D101-R240 IonicContact OD2-NH2 2.77Å; D101-R240 PolarHBondContact OD2-NH2 3Å; D233-R240 IonicContact OD2-CZ 3.58Å; D233-R240 IonicContact OD2-NH1 3.65Å; D233-R240 PolarHBondContact OD2-NH1 2.87Å; D233-R240 IonicContact OD2-NH2 2.71Å; G236-R240 VanDerWaalsContact C-NH1 3.31Å; G236-R240 WeakPolarHBondContact O-CB 3.39Å; G236-R240 VanDerWaalsContact O-CG 3.28Å; G236-R240 WeakPolarHBondContact O-CG 3.49Å; G236-R240 PolarHBondContact O-N 3.23Å; G236-R240 PolarHBondContact O-NH1 3.35Å; R240-Y243 PolarHBondContact O-N 3.37Å; R240-R244 WeakPolarHBondContact O-CG 3.32Å; R240-R244 PolarHBondContact O-N 2.83Å; R240-R244 PolarHBondContact O-NE 2.98Å; R240-R244 VanDerWaalsContact O-NE 3.11Å |
| 241 | A | 96 | Very high | 95.6 | Very high | 1 Ų | 1 | 76.2 Ų | 76.2 | 1% | 0.008 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -70.5 | -37 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | A237 I238 E239 Y243 R244 W245 G249 A253 | A237-A241 VanDerWaalsContact O-CB 3.24Å; A237-A241 WeakPolarHBondContact O-CB 3.25Å; A237-A241 PolarHBondContact O-N 3.49Å; I238-A241 PolarHBondContact O-N 3.37Å; E239-A241 VanDerWaalsContact C-N 3.33Å; E239-A241 PolarHBondContact O-N 2.88Å; A241-Y243 VanDerWaalsContact C-N 3.31Å; A241-Y243 PolarHBondContact O-N 3.38Å; A241-R244 PolarHBondContact O-N 2.86Å; A241-W245 PolarHBondContact O-N 3.12Å; A241-G249 WeakPolarHBondContact CB-O 3.39Å; A241-A253 HydrophobicContact CB-CB 3.72Å |
| 242 | K | 96.5 | Very high | 95.8 | Very high | 113 Ų | 113 | 75.9 Ų | 75.9 | 49% | 0.491 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -59.1 | -44.5 | 172.3 | -167.5 | -176.4 | -174.1 | 178.4 | 0 | 111.4 | I238 E239 R244 G246 Q250 | I238-K242 WeakPolarHBondContact O-CB 3.47Å; I238-K242 PolarHBondContact O-N 3.32Å; E239-K242 WeakPolarHBondContact O-CB 3.35Å; E239-K242 PolarHBondContact O-N 3.16Å; K242-R244 VanDerWaalsContact C-N 3.31Å; K242-R244 PolarHBondContact O-N 2.9Å; K242-G246 WeakPolarHBondContact CA-O 3.27Å; K242-G246 WeakPolarHBondContact O-CA 3.27Å; K242-G246 PolarHBondContact O-N 2.94Å; K242-Q250 HydrophobicContact CB-CG 3.44Å; K242-Q250 VanDerWaalsContact CB-CG 3.44Å; K242-Q250 HydrophobicContact CD-CG 4.26Å; K242-Q250 HydrophobicContact CG-CG 3.72Å |
| 243 | Y | 95.8 | Very high | 96 | Very high | 215 Ų | 215 | 73.2 Ų | 73.2 | 84% | 0.843 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -62.5 | -40.7 | 179.4 | -179 | -99.9 | 0 | 0 | 0 | 111.6 | E239 R240 A241 | E239-Y243 PolarHBondContact O-N 3.07Å; R240-Y243 PolarHBondContact O-N 3.37Å; A241-Y243 VanDerWaalsContact C-N 3.31Å; A241-Y243 PolarHBondContact O-N 3.38Å |
| 244 | R | 94 | Very high | 96.2 | Very high | 69 Ų | 69 | 72.8 Ų | 72.8 | 26% | 0.26 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -72.6 | -46.3 | -179.5 | -73.1 | 176 | -70.7 | -166.8 | 0.2 | 114 | D101 F104 S105 R240 A241 K242 | D101-R244 IonicContact OD1-CZ 2.93Å; D101-R244 IonicContact OD1-NH1 3.62Å; D101-R244 IonicContact OD1-NH2 3.91Å; D101-R244 PolarHBondContact OD1-NH2 3.07Å; F104-R244 PolarHBondContact O-NH1 3.49Å; S105-R244 PolarHBondContact OG-NH1 2.83Å; S105-R244 VanDerWaalsContact OG-NH1 3.12Å; R240-R244 WeakPolarHBondContact O-CG 3.32Å; R240-R244 PolarHBondContact O-N 2.83Å; R240-R244 PolarHBondContact O-NE 2.98Å; R240-R244 VanDerWaalsContact O-NE 3.11Å; A241-R244 PolarHBondContact O-N 2.86Å; K242-R244 VanDerWaalsContact C-N 3.31Å; K242-R244 PolarHBondContact O-N 2.9Å |
| 245 | W | 95.6 | Very high | 96.4 | Very high | 112 Ų | 112 | 71 Ų | 71 | 42% | 0.424 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -133.5 | 13.5 | -168.9 | -54.1 | -47.8 | 0 | 0 | 0 | 114.2 | F104 A241 S248 F252 | F104-W245 HydrophobicContact CB-CH2 3.98Å; F104-W245 AromaticContact CD1-CH2 3.44Å; F104-W245 HydrophobicContact CD1-CH2 3.44Å; F104-W245 VanDerWaalsContact CD1-CH2 3.44Å; F104-W245 AromaticContact CD1-CZ2 3.85Å; F104-W245 HydrophobicContact CD1-CZ2 3.85Å; F104-W245 AromaticContact CD2-CH2 3.73Å; F104-W245 HydrophobicContact CD2-CH2 3.73Å; F104-W245 HydrophobicContact CD2-CZ3 4.26Å; F104-W245 AromaticContact CE1-CH2 3.7Å; F104-W245 HydrophobicContact CE1-CH2 3.7Å; F104-W245 HydrophobicContact CE1-CZ2 4.18Å; F104-W245 HydrophobicContact CE2-CH2 4.02Å; F104-W245 AromaticContact CG-CH2 3.45Å; F104-W245 HydrophobicContact CG-CH2 3.45Å; F104-W245 VanDerWaalsContact CG-CH2 3.45Å; F104-W245 HydrophobicContact CG-CZ2 4.21Å; F104-W245 HydrophobicContact CG-CZ3 4.33Å; F104-W245 AromaticContact CZ-CH2 4Å; F104-W245 HydrophobicContact CZ-CH2 4Å; A241-W245 PolarHBondContact O-N 3.12Å; W245-S248 PolarHBondContact O-OG 2.96Å; W245-F252 HydrophobicContact CZ3-CD1 4.03Å; W245-F252 HydrophobicContact CZ3-CE1 4.35Å |
| 246 | G | 96.2 | Very high | 96.5 | Very high | 32 Ų | 32 | 65.5 Ų | 65.5 | 33% | 0.33 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | 64.4 | -144.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | K242 S248 G249 Q250 | K242-G246 WeakPolarHBondContact CA-O 3.27Å; K242-G246 WeakPolarHBondContact O-CA 3.27Å; K242-G246 PolarHBondContact O-N 2.94Å; G246-S248 VanDerWaalsContact C-N 3.3Å; G246-S248 PolarHBondContact O-N 3.27Å; G246-G249 PolarHBondContact O-N 3.32Å; G246-G249 VanDerWaalsContact O-N 3.11Å; G246-Q250 PolarHBondContact O-N 3.09Å |
| 247 | I | 97 | Very high | 96.6 | Very high | 123 Ų | 123 | 66.2 Ų | 66.2 | 63% | 0.631 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -62 | -37.2 | -175.3 | -63 | 170.3 | 0 | 0 | 0 | 111.7 | G249 Q250 I251 | I247-G249 VanDerWaalsContact C-N 3.27Å; I247-G249 PolarHBondContact O-N 3.2Å; I247-Q250 WeakPolarHBondContact O-CB 3.32Å; I247-Q250 PolarHBondContact O-N 3.32Å; I247-Q250 VanDerWaalsContact O-N 3.17Å; I247-I251 HydrophobicContact CG2-CD1 4.04Å; I247-I251 HydrophobicContact CG2-CG1 4.47Å; I247-I251 WeakPolarHBondContact O-CG1 3.3Å; I247-I251 PolarHBondContact O-N 3.41Å |
| 248 | S | 96.7 | Very high | 96.7 | Very high | 82 Ų | 82 | 70.8 Ų | 70.8 | 57% | 0.573 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -63.6 | -35 | 177.5 | 55.8 | 0 | 0 | 0 | 0 | 111.7 | W245 G246 I251 F252 | W245-S248 PolarHBondContact O-OG 2.96Å; G246-S248 VanDerWaalsContact C-N 3.3Å; G246-S248 PolarHBondContact O-N 3.27Å; S248-I251 PolarHBondContact O-N 2.68Å; S248-F252 WeakPolarHBondContact O-CB 3.49Å; S248-F252 PolarHBondContact O-N 2.88Å |
| 249 | G | 96.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 73.3 Ų | 73.3 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -64.4 | -41.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | A241 G246 I247 F252 A253 | A241-G249 WeakPolarHBondContact CB-O 3.39Å; G246-G249 PolarHBondContact O-N 3.32Å; G246-G249 VanDerWaalsContact O-N 3.11Å; I247-G249 VanDerWaalsContact C-N 3.27Å; I247-G249 PolarHBondContact O-N 3.2Å; G249-F252 WeakPolarHBondContact O-CB 3.12Å; G249-F252 PolarHBondContact O-N 3.37Å; G249-A253 PolarHBondContact O-N 2.91Å |
| 250 | Q | 97.1 | Very high | 96.8 | Very high | 48 Ų | 48 | 67.3 Ų | 67.3 | 22% | 0.224 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -61.3 | -46.2 | 174.8 | -62.5 | -171.3 | -86.6 | 0 | 0 | 111.8 | I238 K242 G246 I247 F252 A253 I254 | I238-Q250 HydrophobicContact CG2-CB 4.09Å; I238-Q250 HydrophobicContact CG2-CG 3.87Å; I238-Q250 VanDerWaalsContact CG2-NE2 3.31Å; K242-Q250 HydrophobicContact CB-CG 3.44Å; K242-Q250 VanDerWaalsContact CB-CG 3.44Å; K242-Q250 HydrophobicContact CD-CG 4.26Å; K242-Q250 HydrophobicContact CG-CG 3.72Å; G246-Q250 PolarHBondContact O-N 3.09Å; I247-Q250 WeakPolarHBondContact O-CB 3.32Å; I247-Q250 PolarHBondContact O-N 3.32Å; I247-Q250 VanDerWaalsContact O-N 3.17Å; Q250-F252 VanDerWaalsContact C-N 3.29Å; Q250-F252 PolarHBondContact O-N 2.82Å; Q250-A253 PolarHBondContact O-N 2.81Å; Q250-I254 WeakPolarHBondContact O-CG1 3.38Å; Q250-I254 PolarHBondContact O-N 3.1Å |
| 251 | I | 97.6 | Very high | 96.9 | Very high | 113 Ų | 113 | 67 Ų | 67 | 58% | 0.579 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -61 | -42.8 | 177.4 | -65.6 | 169.8 | 0 | 0 | 0 | 110.1 | I247 S248 G255 | I247-I251 HydrophobicContact CG2-CD1 4.04Å; I247-I251 HydrophobicContact CG2-CG1 4.47Å; I247-I251 WeakPolarHBondContact O-CG1 3.3Å; I247-I251 PolarHBondContact O-N 3.41Å; S248-I251 PolarHBondContact O-N 2.68Å; I251-G255 PolarHBondContact O-N 3.32Å |
| 252 | F | 96.9 | Very high | 97 | Very high | 84 Ų | 84 | 72.8 Ų | 72.8 | 37% | 0.368 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -60.7 | -47.8 | 176 | 178 | -94.7 | 0 | 0 | 0 | 112.2 | L100 F104 W245 S248 G249 Q250 I254 G255 S256 | L100-F252 HydrophobicContact CB-CE1 4.46Å; L100-F252 HydrophobicContact CD1-CE1 4.22Å; L100-F252 HydrophobicContact CD1-CZ 3.74Å; F104-F252 AromaticContact CD2-CE1 3.98Å; F104-F252 HydrophobicContact CD2-CE1 3.98Å; F104-F252 AromaticContact CE2-CE1 3.49Å; F104-F252 HydrophobicContact CE2-CE1 3.49Å; F104-F252 VanDerWaalsContact CE2-CE1 3.49Å; F104-F252 AromaticContact CE2-CZ 3.59Å; F104-F252 HydrophobicContact CE2-CZ 3.59Å; F104-F252 HydrophobicContact CZ-CE1 4.42Å; F104-F252 HydrophobicContact CZ-CZ 4.21Å; W245-F252 HydrophobicContact CZ3-CD1 4.03Å; W245-F252 HydrophobicContact CZ3-CE1 4.35Å; S248-F252 WeakPolarHBondContact O-CB 3.49Å; S248-F252 PolarHBondContact O-N 2.88Å; G249-F252 WeakPolarHBondContact O-CB 3.12Å; G249-F252 PolarHBondContact O-N 3.37Å; Q250-F252 VanDerWaalsContact C-N 3.29Å; Q250-F252 PolarHBondContact O-N 2.82Å; F252-I254 PolarHBondContact O-N 3.46Å; F252-G255 PolarHBondContact O-N 3.37Å; F252-S256 WeakPolarHBondContact O-CB 3.41Å; F252-S256 PolarHBondContact O-N 3.5Å; F252-S256 PolarHBondContact O-OG 3.2Å |
| 253 | A | 97.2 | Very high | 97.1 | Very high | 6 Ų | 6 | 70.8 Ų | 70.8 | 5% | 0.05 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -63 | -41.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | I238 A241 G249 Q250 S256 H257 | I238-A253 HydrophobicContact CG1-CB 4.24Å; A241-A253 HydrophobicContact CB-CB 3.72Å; G249-A253 PolarHBondContact O-N 2.91Å; Q250-A253 PolarHBondContact O-N 2.81Å; A253-S256 PolarHBondContact O-OG 3.25Å; A253-H257 PolarHBondContact O-N 3.27Å; A253-H257 PolarHBondContact O-ND1 3.39Å |
| 254 | I | 97.8 | Very high | 97.2 | Very high | 74 Ų | 74 | 63 Ų | 63 | 38% | 0.379 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -65.9 | -47.8 | 174.5 | -65.4 | 166.6 | 0 | 0 | 0 | 109.9 | I238 Q250 F252 S256 H257 L258 | I238-I254 HydrophobicContact CD1-CD1 4Å; I238-I254 HydrophobicContact CD1-CG1 3.55Å; I238-I254 HydrophobicContact CG1-CD1 4.44Å; I238-I254 HydrophobicContact CG1-CG1 3.81Å; Q250-I254 WeakPolarHBondContact O-CG1 3.38Å; Q250-I254 PolarHBondContact O-N 3.1Å; F252-I254 PolarHBondContact O-N 3.46Å; I254-S256 VanDerWaalsContact C-N 3.33Å; I254-S256 PolarHBondContact O-N 2.64Å; I254-H257 PolarHBondContact O-N 2.87Å; I254-L258 HydrophobicContact CG2-CD1 3.8Å; I254-L258 HydrophobicContact CG2-CG 4.34Å; I254-L258 WeakPolarHBondContact O-CG 3.45Å; I254-L258 PolarHBondContact O-N 2.96Å |
| 255 | G | 97.7 | Very high | 97.3 | Very high | 36 Ų | 36 | 62.3 Ų | 62.3 | 37% | 0.371 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -60.3 | -39.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | I251 F252 L259 | I251-G255 PolarHBondContact O-N 3.32Å; F252-G255 PolarHBondContact O-N 3.37Å; G255-L259 WeakPolarHBondContact O-CB 3.22Å; G255-L259 PolarHBondContact O-N 3.32Å |
| 256 | S | 97.7 | Very high | 97.4 | Very high | 7 Ų | 7 | 66 Ų | 66 | 5% | 0.049 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -68 | -42.3 | 178.9 | 62.4 | 0 | 0 | 0 | 0 | 112.6 | F96 F252 A253 I254 L259 G260 | F96-S256 WeakPolarHBondContact CD1-O 3.2Å; F252-S256 WeakPolarHBondContact O-CB 3.41Å; F252-S256 PolarHBondContact O-N 3.5Å; F252-S256 PolarHBondContact O-OG 3.2Å; A253-S256 PolarHBondContact O-OG 3.25Å; I254-S256 VanDerWaalsContact C-N 3.33Å; I254-S256 PolarHBondContact O-N 2.64Å; S256-L259 PolarHBondContact O-N 2.87Å; S256-G260 PolarHBondContact O-N 3.23Å |
| 257 | H | 97.5 | Very high | 97.5 | Very high | 23 Ų | 23 | 67 Ų | 67 | 11% | 0.106 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -64.8 | -44.9 | 175.6 | -75.1 | 81.3 | 0 | 0 | 0 | 111.7 | L234 A253 I254 G260 L261 | L234-H257 HydrophobicContact CD1-CB 4.06Å; A253-H257 PolarHBondContact O-N 3.27Å; A253-H257 PolarHBondContact O-ND1 3.39Å; I254-H257 PolarHBondContact O-N 2.87Å; H257-G260 PolarHBondContact O-N 2.93Å; H257-L261 WeakPolarHBondContact O-CG 3.18Å; H257-L261 PolarHBondContact O-N 3.13Å; H257-L261 VanDerWaalsContact O-N 3.12Å |
| 258 | L | 97.7 | Very high | 97.4 | Very high | 96 Ų | 96 | 62.1 Ų | 62.1 | 50% | 0.503 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -63.3 | -43.6 | 176.3 | -70.2 | 176.8 | 0 | 0 | 0 | 111.6 | I254 G260 L261 L262 | I254-L258 HydrophobicContact CG2-CD1 3.8Å; I254-L258 HydrophobicContact CG2-CG 4.34Å; I254-L258 WeakPolarHBondContact O-CG 3.45Å; I254-L258 PolarHBondContact O-N 2.96Å; L258-G260 VanDerWaalsContact C-N 3.34Å; L258-G260 PolarHBondContact O-N 3.45Å; L258-L261 PolarHBondContact O-N 3.39Å; L258-L262 WeakPolarHBondContact O-CB 3.27Å; L258-L262 VanDerWaalsContact O-CG 3.23Å; L258-L262 WeakPolarHBondContact O-CG 3.41Å; L258-L262 PolarHBondContact O-N 3.42Å |
| 259 | L | 98.3 | Very high | 97.2 | Very high | 84 Ų | 84 | 64.2 Ų | 64.2 | 44% | 0.44 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61 | -44.2 | 177.4 | -179.3 | 62.4 | 0 | 0 | 0 | 111.2 | F96 G255 S256 L261 L262 L263 | F96-L259 HydrophobicContact CE1-CD2 4.01Å; G255-L259 WeakPolarHBondContact O-CB 3.22Å; G255-L259 PolarHBondContact O-N 3.32Å; S256-L259 PolarHBondContact O-N 2.87Å; L259-L261 PolarHBondContact O-N 3.49Å; L259-L262 PolarHBondContact O-N 3.46Å; L259-L263 HydrophobicContact CD1-CD1 3.82Å; L259-L263 HydrophobicContact CD1-CG 3.85Å; L259-L263 HydrophobicContact CD2-CD1 4.42Å; L259-L263 HydrophobicContact CG-CD1 3.76Å; L259-L263 HydrophobicContact CG-CG 4.21Å; L259-L263 VanDerWaalsContact O-CB 3.29Å; L259-L263 WeakPolarHBondContact O-CB 3.39Å; L259-L263 VanDerWaalsContact O-CG 3.29Å; L259-L263 WeakPolarHBondContact O-CG 3.4Å; L259-L263 PolarHBondContact O-N 2.96Å |
| 260 | G | 98.1 | Very high | 97 | Very high | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -57 | -48.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | V93 S256 H257 L258 W264 | V93-G260 CarbonylContact O-C 3.55Å; V93-G260 WeakPolarHBondContact O-CA 3.22Å; S256-G260 PolarHBondContact O-N 3.23Å; H257-G260 PolarHBondContact O-N 2.93Å; L258-G260 VanDerWaalsContact C-N 3.34Å; L258-G260 PolarHBondContact O-N 3.45Å; G260-W264 WeakPolarHBondContact O-CB 3.14Å; G260-W264 PolarHBondContact O-N 3.39Å |
| 261 | L | 97.1 | Very high | 96.9 | Very high | 90 Ų | 90 | 66.8 Ų | 66.8 | 47% | 0.471 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -65.1 | -42.3 | 177.9 | -70.2 | 173.7 | 0 | 0 | 0 | 112.9 | M94 H257 L258 L259 W264 A265 | M94-L261 HydrophobicContact CG-CD2 4.19Å; H257-L261 WeakPolarHBondContact O-CG 3.18Å; H257-L261 PolarHBondContact O-N 3.13Å; H257-L261 VanDerWaalsContact O-N 3.12Å; L258-L261 PolarHBondContact O-N 3.39Å; L259-L261 PolarHBondContact O-N 3.49Å; L261-W264 PolarHBondContact O-N 3.27Å; L261-A265 WeakPolarHBondContact O-CB 3.29Å; L261-A265 PolarHBondContact O-N 2.84Å |
| 262 | L | 98.2 | Very high | 96.7 | Very high | 121 Ų | 121 | 61.4 Ų | 61.4 | 63% | 0.634 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -67.8 | -43.4 | 179.4 | -70.3 | 172.6 | 0 | 0 | 0 | 111.7 | L258 L259 A265 Y266 | L258-L262 WeakPolarHBondContact O-CB 3.27Å; L258-L262 VanDerWaalsContact O-CG 3.23Å; L258-L262 WeakPolarHBondContact O-CG 3.41Å; L258-L262 PolarHBondContact O-N 3.42Å; L259-L262 PolarHBondContact O-N 3.46Å; L262-A265 PolarHBondContact O-N 2.72Å; L262-Y266 WeakPolarHBondContact O-CB 3.37Å; L262-Y266 PolarHBondContact O-N 3.26Å |
| 263 | L | 98.1 | Very high | 96.4 | Very high | 71 Ų | 71 | 64.4 Ų | 64.4 | 37% | 0.372 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -64.4 | -43.6 | 174.9 | -74.3 | 175.6 | 0 | 0 | 0 | 111 | V93 L259 A265 Y266 L267 | V93-L263 HydrophobicContact CG1-CB 3.67Å; L259-L263 HydrophobicContact CD1-CD1 3.82Å; L259-L263 HydrophobicContact CD1-CG 3.85Å; L259-L263 HydrophobicContact CD2-CD1 4.42Å; L259-L263 HydrophobicContact CG-CD1 3.76Å; L259-L263 HydrophobicContact CG-CG 4.21Å; L259-L263 VanDerWaalsContact O-CB 3.29Å; L259-L263 WeakPolarHBondContact O-CB 3.39Å; L259-L263 VanDerWaalsContact O-CG 3.29Å; L259-L263 WeakPolarHBondContact O-CG 3.4Å; L259-L263 PolarHBondContact O-N 2.96Å; L263-A265 VanDerWaalsContact C-N 3.35Å; L263-A265 PolarHBondContact O-N 2.93Å; L263-Y266 PolarHBondContact O-N 3.19Å; L263-L267 VanDerWaalsContact O-CB 3.27Å; L263-L267 WeakPolarHBondContact O-CB 3.43Å; L263-L267 WeakPolarHBondContact O-CG 3.08Å; L263-L267 PolarHBondContact O-N 3.41Å |
| 264 | W | 98.1 | Very high | 96 | Very high | 52 Ų | 52 | 64.7 Ų | 64.7 | 20% | 0.197 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -56.9 | -49.5 | 174.6 | 170.5 | 84.9 | 0 | 0 | 0 | 110.9 | V93 M94 Y205 G260 L261 Y266 L267 L268 | V93-W264 HydrophobicContact CG1-CB 4.11Å; M94-W264 HydrophobicContact CB-CB 4.19Å; M94-W264 HydrophobicContact CB-CG 3.95Å; M94-W264 HydrophobicContact CG-CG 4.26Å; Y205-W264 AromaticContact CD2-CE2 3.99Å; Y205-W264 AromaticContact CD2-CZ2 3.54Å; Y205-W264 HydrophobicContact CD2-CZ2 3.54Å; Y205-W264 AromaticContact CD2-NE1 3.8Å; Y205-W264 AromaticContact CE2-CE2 3.85Å; Y205-W264 AromaticContact CE2-CZ2 3.9Å; Y205-W264 HydrophobicContact CE2-CZ2 3.9Å; Y205-W264 AromaticContact CE2-NE1 3.19Å; Y205-W264 HydrophobicContact CG-CZ2 4.08Å; Y205-W264 AromaticContact CZ-NE1 3.5Å; G260-W264 WeakPolarHBondContact O-CB 3.14Å; G260-W264 PolarHBondContact O-N 3.39Å; L261-W264 PolarHBondContact O-N 3.27Å; W264-Y266 VanDerWaalsContact C-N 3.33Å; W264-Y266 PolarHBondContact O-N 3.39Å; W264-L267 PolarHBondContact O-N 2.77Å; W264-L268 HydrophobicContact CH2-CD2 3.88Å; W264-L268 HydrophobicContact CZ2-CD1 4.04Å; W264-L268 HydrophobicContact CZ2-CD2 3.79Å; W264-L268 HydrophobicContact CZ2-CG 4.47Å; W264-L268 VanDerWaalsContact O-CB 3.29Å; W264-L268 WeakPolarHBondContact O-CB 3.46Å; W264-L268 PolarHBondContact O-N 3.4Å |
| 265 | A | 96.7 | Very high | 95.4 | Very high | 55 Ų | 55 | 67.7 Ų | 67.7 | 46% | 0.455 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62.3 | -39.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L261 L262 L263 | L261-A265 WeakPolarHBondContact O-CB 3.29Å; L261-A265 PolarHBondContact O-N 2.84Å; L262-A265 PolarHBondContact O-N 2.72Å; L263-A265 VanDerWaalsContact C-N 3.35Å; L263-A265 PolarHBondContact O-N 2.93Å |
| 266 | Y | 97.5 | Very high | 94.7 | Very high | 190 Ų | 190 | 67 Ų | 67 | 75% | 0.745 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -66.5 | -43.6 | 176.5 | 176.4 | -104.7 | 0 | 0 | 0 | 112.3 | L262 L263 W264 | L262-Y266 WeakPolarHBondContact O-CB 3.37Å; L262-Y266 PolarHBondContact O-N 3.26Å; L263-Y266 PolarHBondContact O-N 3.19Å; W264-Y266 VanDerWaalsContact C-N 3.33Å; W264-Y266 PolarHBondContact O-N 3.39Å |
| 267 | L | 97.2 | Very high | 93.8 | Very high | 51 Ų | 51 | 67.9 Ų | 67.9 | 27% | 0.267 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -81.6 | -21.8 | -175.1 | -67 | 173.4 | 0 | 0 | 0 | 113.5 | L90 V93 L263 W264 Y269 G270 I271 | L90-L267 HydrophobicContact CD2-CB 4Å; V93-L267 HydrophobicContact CG1-CD1 4.41Å; L263-L267 VanDerWaalsContact O-CB 3.27Å; L263-L267 WeakPolarHBondContact O-CB 3.43Å; L263-L267 WeakPolarHBondContact O-CG 3.08Å; L263-L267 PolarHBondContact O-N 3.41Å; W264-L267 PolarHBondContact O-N 2.77Å; L267-Y269 PolarHBondContact O-N 2.92Å; L267-G270 PolarHBondContact O-N 3.4Å; L267-I271 HydrophobicContact CB-CD1 3.79Å; L267-I271 HydrophobicContact CB-CG1 4.13Å; L267-I271 HydrophobicContact CD1-CD1 4.09Å; L267-I271 HydrophobicContact CD2-CD1 4.18Å; L267-I271 HydrophobicContact CD2-CG1 4.45Å; L267-I271 HydrophobicContact CG-CD1 4.23Å; L267-I271 WeakPolarHBondContact O-CB 3.07Å; L267-I271 PolarHBondContact O-N 3.34Å |
| 268 | L | 95.1 | Very high | 92.4 | Very high | 21 Ų | 21 | 68 Ų | 68 | 11% | 0.11 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -51.3 | -50.2 | -169.5 | -177.2 | 63.6 | 0 | 0 | 0 | 113 | L90 Y205 F208 L209 W264 T272 | L90-L268 HydrophobicContact CD1-CD1 4.13Å; Y205-L268 HydrophobicContact CD2-CD1 4.26Å; Y205-L268 HydrophobicContact CE2-CD1 3.99Å; F208-L268 HydrophobicContact CD1-CD1 3.84Å; F208-L268 HydrophobicContact CD1-CD2 4.3Å; F208-L268 HydrophobicContact CD1-CG 4.11Å; F208-L268 HydrophobicContact CE1-CD1 3.66Å; F208-L268 HydrophobicContact CE1-CD2 4.03Å; F208-L268 HydrophobicContact CE1-CG 3.55Å; F208-L268 HydrophobicContact CZ-CG 4.25Å; L209-L268 HydrophobicContact CD2-CD1 4.35Å; W264-L268 HydrophobicContact CH2-CD2 3.88Å; W264-L268 HydrophobicContact CZ2-CD1 4.04Å; W264-L268 HydrophobicContact CZ2-CD2 3.79Å; W264-L268 HydrophobicContact CZ2-CG 4.47Å; W264-L268 VanDerWaalsContact O-CB 3.29Å; W264-L268 WeakPolarHBondContact O-CB 3.46Å; W264-L268 PolarHBondContact O-N 3.4Å; L268-T272 VanDerWaalsContact O-CB 3.32Å; L268-T272 WeakPolarHBondContact O-CB 2.98Å; L268-T272 WeakPolarHBondContact O-CG2 3.43Å; L268-T272 PolarHBondContact O-N 2.74Å; L268-T272 PolarHBondContact O-OG1 2.87Å |
| 269 | Y | 92.3 | Very high | 90.8 | Very high | 127 Ų | 127 | 68.5 Ų | 68.5 | 50% | 0.498 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -74.7 | -40.7 | -178.8 | -89.3 | -91.2 | 0 | 0 | 0 | 112.9 | F208 R212 L267 T272 E273 | F208-Y269 HydrophobicContact CE2-CE1 4.21Å; F208-Y269 HydrophobicContact CE2-CE2 4.46Å; F208-Y269 AromaticContact CE2-CZ 3.97Å; F208-Y269 HydrophobicContact CZ-CD1 4.32Å; F208-Y269 HydrophobicContact CZ-CD2 4.43Å; F208-Y269 HydrophobicContact CZ-CE1 4.07Å; F208-Y269 HydrophobicContact CZ-CE2 4.19Å; F208-Y269 HydrophobicContact CZ-CG 4.5Å; F208-Y269 AromaticContact CZ-CZ 4Å; R212-Y269 PolarHBondContact NH2-O 3.05Å; R212-Y269 VanDerWaalsContact NH2-O 3.13Å; L267-Y269 PolarHBondContact O-N 2.92Å; Y269-T272 PolarHBondContact O-OG1 3.49Å; Y269-E273 PolarHBondContact O-N 3.28Å |
| 270 | G | 93 | Very high | 88.9 | Confident | 50 Ų | 50 | 71.2 Ų | 71.2 | 52% | 0.515 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -69.2 | -45.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | L267 T272 E273 | L267-G270 PolarHBondContact O-N 3.4Å; G270-T272 VanDerWaalsContact C-N 3.27Å; G270-T272 PolarHBondContact O-N 2.89Å; G270-E273 WeakPolarHBondContact O-CB 3.42Å; G270-E273 PolarHBondContact O-N 3.48Å |
| 271 | I | 94.1 | Very high | 87.1 | Confident | 52 Ų | 52 | 75.3 Ų | 75.3 | 27% | 0.267 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -69.8 | -28.1 | 179.1 | -65.5 | -173.5 | 0 | 0 | 0 | 111.4 | I86 I89 L90 L267 E273 | I86-I271 HydrophobicContact CB-CG2 4.36Å; I86-I271 WeakPolarHBondContact CD1-O 3.5Å; I86-I271 HydrophobicContact CG1-CG2 3.93Å; I86-I271 HydrophobicContact CG2-CG2 4.07Å; I89-I271 HydrophobicContact CG2-CD1 4.21Å; L90-I271 HydrophobicContact CD1-CB 4.41Å; L90-I271 HydrophobicContact CD1-CG2 4.21Å; L90-I271 HydrophobicContact CD2-CB 4.35Å; L90-I271 HydrophobicContact CD2-CD1 4.08Å; L90-I271 HydrophobicContact CG-CB 4.48Å; L90-I271 HydrophobicContact CG-CG2 4.22Å; L267-I271 HydrophobicContact CB-CD1 3.79Å; L267-I271 HydrophobicContact CB-CG1 4.13Å; L267-I271 HydrophobicContact CD1-CD1 4.09Å; L267-I271 HydrophobicContact CD2-CD1 4.18Å; L267-I271 HydrophobicContact CD2-CG1 4.45Å; L267-I271 HydrophobicContact CG-CD1 4.23Å; L267-I271 WeakPolarHBondContact O-CB 3.07Å; L267-I271 PolarHBondContact O-N 3.34Å; I271-E273 VanDerWaalsContact C-N 3.29Å; I271-E273 PolarHBondContact O-N 3.24Å |
| 272 | T | 93.5 | Very high | 85.2 | Confident | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 37% | 0.371 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | 13.3 | 178.1 | 66.1 | 0 | 0 | 0 | 0 | 113.4 | I86 L90 F208 L209 R212 L268 Y269 G270 T274 S277 | I86-T272 HydrophobicContact CG2-CG2 3.89Å; L90-T272 HydrophobicContact CD1-CG2 3.69Å; F208-T272 HydrophobicContact CE1-CG2 4.18Å; L209-T272 HydrophobicContact CD2-CG2 3.58Å; R212-T272 HydrophobicContact CB-CG2 4.43Å; R212-T272 PolarHBondContact NE-O 3.05Å; R212-T272 PolarHBondContact NE-OG1 3.32Å; R212-T272 PolarHBondContact NH2-O 3.18Å; L268-T272 VanDerWaalsContact O-CB 3.32Å; L268-T272 WeakPolarHBondContact O-CB 2.98Å; L268-T272 WeakPolarHBondContact O-CG2 3.43Å; L268-T272 PolarHBondContact O-N 2.74Å; L268-T272 PolarHBondContact O-OG1 2.87Å; Y269-T272 PolarHBondContact O-OG1 3.49Å; G270-T272 VanDerWaalsContact C-N 3.27Å; G270-T272 PolarHBondContact O-N 2.89Å; T272-T274 VanDerWaalsContact C-N 3.29Å; T272-T274 PolarHBondContact O-N 3.4Å; T272-S277 VanDerWaalsContact O-CB 3.3Å; T272-S277 WeakPolarHBondContact O-CB 3.37Å |
| 273 | E | 90.8 | Very high | 83.3 | Confident | 146 Ų | 146 | 69 Ų | 69 | 68% | 0.682 | 36% | 0.357 | S | S | * | . | trans | -79.9 | 78.6 | 171.6 | -166.1 | 170.3 | -169.7 | 0 | 0 | 110 | Y269 G270 I271 S277 | Y269-E273 PolarHBondContact O-N 3.28Å; G270-E273 WeakPolarHBondContact O-CB 3.42Å; G270-E273 PolarHBondContact O-N 3.48Å; I271-E273 VanDerWaalsContact C-N 3.29Å; I271-E273 PolarHBondContact O-N 3.24Å; E273-S277 WeakPolarHBondContact CA-OG 3.27Å | ||
| 274 | T | 89.1 | Confident | 81.2 | Confident | 12 Ų | 12 | 66 Ų | 66 | 7% | 0.074 | 34% | 0.342 | C | S | . | . | trans | -98.1 | 172.4 | 177 | 77 | 0 | 0 | 0 | 0 | 110.6 | E82 I86 R212 T213 T272 W276 S277 | E82-T274 HydrophobicContact CG-CG2 4.21Å; I86-T274 HydrophobicContact CD1-CG2 3.51Å; R212-T274 PolarHBondContact O-OG1 2.89Å; T213-T274 HydrophobicContact CG2-CG2 4.26Å; T272-T274 VanDerWaalsContact C-N 3.29Å; T272-T274 PolarHBondContact O-N 3.4Å; T274-W276 PolarHBondContact O-N 3.24Å; T274-W276 VanDerWaalsContact OG1-CA 3.28Å; T274-W276 WeakPolarHBondContact OG1-CA 3.45Å; T274-W276 WeakPolarHBondContact OG1-CB 2.95Å; T274-W276 PolarHBondContact OG1-N 2.98Å; T274-S277 PolarHBondContact N-OG 3.43Å; T274-S277 WeakPolarHBondContact O-CB 3.28Å; T274-S277 PolarHBondContact O-N 3.13Å; T274-S277 PolarHBondContact O-OG 3.33Å; T274-S277 PolarHBondContact OG1-N 3.46Å | ||
| 275 | K | 85.6 | Confident | 78.9 | Confident | 137 Ų | 137 | 71.5 Ų | 71.5 | 60% | 0.596 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -20.4 | 166 | 72.4 | 177.3 | -178.5 | 165.6 | 0 | 112.3 | D78 | D78-K275 IonicContact OD2-NZ 3.63Š|
| 276 | W | 82.6 | Confident | 76.9 | Confident | 23 Ų | 23 | 70.8 Ų | 70.8 | 9% | 0.087 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94 | 12.3 | 175.6 | -51.2 | 107.6 | 0 | 0 | 0 | 114.6 | R76 D78 R212 T213 T274 C284 W286 | R76-W276 VanDerWaalsContact CZ-CZ3 3.46Å; R76-W276 VanDerWaalsContact NH1-CZ2 3.28Å; R76-W276 VanDerWaalsContact NH2-CH2 3.31Å; R76-W276 VanDerWaalsContact NH2-CZ3 3.34Å; D78-W276 WeakPolarHBondContact OD2-CZ2 3.41Å; R212-W276 CarbonylContact C-O 3.55Å; R212-W276 CarbonylContact O-C 3.21Å; R212-W276 VanDerWaalsContact O-O 3.14Å; T213-W276 VanDerWaalsContact C-CB 3.46Å; T213-W276 WeakPolarHBondContact O-CB 3.38Å; T274-W276 PolarHBondContact O-N 3.24Å; T274-W276 VanDerWaalsContact OG1-CA 3.28Å; T274-W276 WeakPolarHBondContact OG1-CA 3.45Å; T274-W276 WeakPolarHBondContact OG1-CB 2.95Å; T274-W276 PolarHBondContact OG1-N 2.98Å; W276-C284 PolarHBondContact O-SG 3.32Å; W276-C284 VanDerWaalsContact O-SG 3.34Å; W276-W286 HydrophobicContact CB-CH2 3.28Å; W276-W286 HydrophobicContact CB-CZ2 3.61Å; W276-W286 HydrophobicContact CB-CZ3 4.01Å; W276-W286 HydrophobicContact CD2-CE3 4.17Å; W276-W286 AromaticContact CD2-CH2 3.96Å; W276-W286 HydrophobicContact CD2-CH2 3.96Å; W276-W286 HydrophobicContact CD2-CZ2 4.23Å; W276-W286 AromaticContact CD2-CZ3 3.9Å; W276-W286 HydrophobicContact CD2-CZ3 3.9Å; W276-W286 AromaticContact CE3-CD2 3.26Å; W276-W286 HydrophobicContact CE3-CD2 3.26Å; W276-W286 AromaticContact CE3-CE2 3.58Å; W276-W286 AromaticContact CE3-CE3 2.99Å; W276-W286 HydrophobicContact CE3-CE3 2.99Å; W276-W286 HydrophobicContact CE3-CG 4.05Å; W276-W286 AromaticContact CE3-CH2 3.4Å; W276-W286 HydrophobicContact CE3-CH2 3.4Å; W276-W286 VanDerWaalsContact CE3-CH2 3.4Å; W276-W286 AromaticContact CE3-CZ2 3.61Å; W276-W286 HydrophobicContact CE3-CZ2 3.61Å; W276-W286 AromaticContact CE3-CZ3 3.08Å; W276-W286 HydrophobicContact CE3-CZ3 3.08Å; W276-W286 AromaticContact CG-CH2 3.98Å; W276-W286 HydrophobicContact CG-CH2 3.98Å; W276-W286 HydrophobicContact CG-CZ2 4.28Å; W276-W286 HydrophobicContact CG-CZ3 4.31Å; W276-W286 HydrophobicContact CH2-CE3 4.49Å; W276-W286 HydrophobicContact CZ3-CB 4Å; W276-W286 AromaticContact CZ3-CD2 3.51Å; W276-W286 HydrophobicContact CZ3-CD2 3.51Å; W276-W286 AromaticContact CZ3-CE3 3.16Å; W276-W286 HydrophobicContact CZ3-CE3 3.16Å; W276-W286 AromaticContact CZ3-CG 3.94Å; W276-W286 HydrophobicContact CZ3-CG 3.94Å; W276-W286 HydrophobicContact CZ3-CH2 4.39Å; W276-W286 AromaticContact CZ3-CZ3 3.69Å; W276-W286 HydrophobicContact CZ3-CZ3 3.69Å; W276-W286 WeakPolarHBondContact O-CH2 3.44Å; W276-W286 VanDerWaalsContact O-CZ2 3.27Å; W276-W286 WeakPolarHBondContact O-CZ2 3.42Å |
| 277 | S | 78.3 | Confident | 74.4 | Confident | 24 Ų | 24 | 68.1 Ų | 68.1 | 17% | 0.168 | 35% | 0.35 | C | S | . | . | trans | -100 | 142.4 | 174.3 | 70.3 | 0 | 0 | 0 | 0 | 110.7 | R212 T272 E273 T274 | R212-S277 PolarHBondContact O-N 3.33Å; T272-S277 VanDerWaalsContact O-CB 3.3Å; T272-S277 WeakPolarHBondContact O-CB 3.37Å; E273-S277 WeakPolarHBondContact CA-OG 3.27Å; T274-S277 PolarHBondContact N-OG 3.43Å; T274-S277 WeakPolarHBondContact O-CB 3.28Å; T274-S277 PolarHBondContact O-N 3.13Å; T274-S277 PolarHBondContact O-OG 3.33Å; T274-S277 PolarHBondContact OG1-N 3.46Å | ||
| 278 | S | 69.7 | Low | 73.3 | Confident | 27 Ų | 27 | 69 Ų | 69 | 19% | 0.189 | 35% | 0.354 | C | S | . | . | trans | -116.8 | 132.8 | 165.5 | 168.1 | 0 | 0 | 0 | 0 | 108 | R212 N280 N281 | R212-S278 PolarHBondContact NH1-O 3.27Å; S278-N280 PolarHBondContact O-N 3.5Å; S278-N281 WeakPolarHBondContact CB-O 3.3Å; S278-N281 PolarHBondContact OG-N 3.08Å; S278-N281 VanDerWaalsContact OG-N 3.12Å; S278-N281 PolarHBondContact OG-O 3.23Å | ||
| 279 | P | 62.7 | Low | 72.1 | Confident | 106 Ų | 106 | 71.5 Ų | 71.5 | 69% | 0.688 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -62.1 | -32.9 | -179.8 | -21.1 | 30.3 | 0 | 0 | 0 | 112.6 | ||
| 280 | N | 59.8 | Low | 71 | Confident | 140 Ų | 140 | 68.4 Ų | 68.4 | 75% | 0.749 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -125.3 | -15.8 | -165.2 | -66.7 | -24.9 | 0 | 0 | 0 | 115 | S278 | S278-N280 PolarHBondContact O-N 3.5Š|
| 281 | N | 59.3 | Low | 69.7 | Low | 87 Ų | 87 | 69.5 Ų | 69.5 | 47% | 0.465 | 35% | 0.351 | S | S | . | . | trans | -131.7 | 145.4 | -172.6 | -71.2 | -22.2 | 0 | 0 | 0 | 112.4 | S278 H283 | S278-N281 WeakPolarHBondContact CB-O 3.3Å; S278-N281 PolarHBondContact OG-N 3.08Å; S278-N281 VanDerWaalsContact OG-N 3.12Å; S278-N281 PolarHBondContact OG-O 3.23Å; N281-H283 VanDerWaalsContact C-N 3.25Å | ||
| 282 | C | 58.3 | Low | 68.2 | Low | 6 Ų | 6 | 70.6 Ų | 70.6 | 4% | 0.041 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -68.6 | -30.4 | 167 | -42.3 | 0 | 0 | 0 | 0 | 112.2 | L150 S154 S155 C156 L159 C284 | L150-C282 HydrophobicContact CD1-CB 4.08Å; S154-C282 PolarHBondContact O-N 3.48Å; S154-C282 PolarHBondContact O-SG 3.39Å; S155-C282 PolarHBondContact O-SG 2.73Å; C156-C282 WeakPolarHBondContact CA-SG 3.38Å; C156-C282 PolarHBondContact N-SG 3.03Å; L159-C282 HydrophobicContact CD2-CB 3.99Å; C282-C284 VanDerWaalsContact C-N 3.27Å; C282-C284 PolarHBondContact O-N 3.48Å |
| 283 | H | 56.7 | Low | 66.5 | Low | 72 Ų | 72 | 75.3 Ų | 75.3 | 33% | 0.333 | 38% | 0.38 | S | S | . | . | trans | -75.4 | 90 | 175 | -57.7 | -73.5 | 0 | 0 | 0 | 106.9 | L150 N281 | L150-H283 PolarHBondContact O-CE1 2.75Å; N281-H283 VanDerWaalsContact C-N 3.25Å | ||
| 284 | C | 55.3 | Low | 64.8 | Low | 9 Ų | 9 | 70.2 Ų | 70.2 | 6% | 0.061 | 36% | 0.358 | C | S | . | . | trans | -81.5 | 172.6 | 166.4 | -49.4 | 0 | 0 | 0 | 0 | 110 | W276 C282 W286 Y287 | W276-C284 PolarHBondContact O-SG 3.32Å; W276-C284 VanDerWaalsContact O-SG 3.34Å; C282-C284 VanDerWaalsContact C-N 3.27Å; C282-C284 PolarHBondContact O-N 3.48Å; C284-W286 HydrophobicContact CB-CD2 3.8Å; C284-W286 VanDerWaalsContact CB-CE2 3.42Å; C284-W286 HydrophobicContact CB-CE3 3.72Å; C284-W286 HydrophobicContact CB-CH2 2.74Å; C284-W286 HydrophobicContact CB-CZ2 2.97Å; C284-W286 HydrophobicContact CB-CZ3 3.22Å; C284-W286 PolarHBondContact O-N 3.12Å; C284-W286 WeakPolarHBondContact SG-CH2 3.41Å; C284-W286 WeakPolarHBondContact SG-CZ2 3.14Å; C284-Y287 PolarHBondContact O-N 3.34Å | ||
| 285 | N | 48.9 | Very low | 62.9 | Low | 166 Ų | 166 | 74.7 Ų | 74.7 | 89% | 0.888 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | 22.4 | -166.7 | -67.7 | -25.6 | 0 | 0 | 0 | 117.3 | ||
| 286 | W | 55 | Low | 61 | Low | 40 Ų | 40 | 69.5 Ų | 69.5 | 15% | 0.152 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118.5 | 6.3 | 177.4 | 42.4 | 93.3 | 0 | 0 | 0 | 113.7 | W276 C284 | W276-W286 HydrophobicContact CB-CH2 3.28Å; W276-W286 HydrophobicContact CB-CZ2 3.61Å; W276-W286 HydrophobicContact CB-CZ3 4.01Å; W276-W286 HydrophobicContact CD2-CE3 4.17Å; W276-W286 AromaticContact CD2-CH2 3.96Å; W276-W286 HydrophobicContact CD2-CH2 3.96Å; W276-W286 HydrophobicContact CD2-CZ2 4.23Å; W276-W286 AromaticContact CD2-CZ3 3.9Å; W276-W286 HydrophobicContact CD2-CZ3 3.9Å; W276-W286 AromaticContact CE3-CD2 3.26Å; W276-W286 HydrophobicContact CE3-CD2 3.26Å; W276-W286 AromaticContact CE3-CE2 3.58Å; W276-W286 AromaticContact CE3-CE3 2.99Å; W276-W286 HydrophobicContact CE3-CE3 2.99Å; W276-W286 HydrophobicContact CE3-CG 4.05Å; W276-W286 AromaticContact CE3-CH2 3.4Å; W276-W286 HydrophobicContact CE3-CH2 3.4Å; W276-W286 VanDerWaalsContact CE3-CH2 3.4Å; W276-W286 AromaticContact CE3-CZ2 3.61Å; W276-W286 HydrophobicContact CE3-CZ2 3.61Å; W276-W286 AromaticContact CE3-CZ3 3.08Å; W276-W286 HydrophobicContact CE3-CZ3 3.08Å; W276-W286 AromaticContact CG-CH2 3.98Å; W276-W286 HydrophobicContact CG-CH2 3.98Å; W276-W286 HydrophobicContact CG-CZ2 4.28Å; W276-W286 HydrophobicContact CG-CZ3 4.31Å; W276-W286 HydrophobicContact CH2-CE3 4.49Å; W276-W286 HydrophobicContact CZ3-CB 4Å; W276-W286 AromaticContact CZ3-CD2 3.51Å; W276-W286 HydrophobicContact CZ3-CD2 3.51Å; W276-W286 AromaticContact CZ3-CE3 3.16Å; W276-W286 HydrophobicContact CZ3-CE3 3.16Å; W276-W286 AromaticContact CZ3-CG 3.94Å; W276-W286 HydrophobicContact CZ3-CG 3.94Å; W276-W286 HydrophobicContact CZ3-CH2 4.39Å; W276-W286 AromaticContact CZ3-CZ3 3.69Å; W276-W286 HydrophobicContact CZ3-CZ3 3.69Å; W276-W286 WeakPolarHBondContact O-CH2 3.44Å; W276-W286 VanDerWaalsContact O-CZ2 3.27Å; W276-W286 WeakPolarHBondContact O-CZ2 3.42Å; C284-W286 HydrophobicContact CB-CD2 3.8Å; C284-W286 VanDerWaalsContact CB-CE2 3.42Å; C284-W286 HydrophobicContact CB-CE3 3.72Å; C284-W286 HydrophobicContact CB-CH2 2.74Å; C284-W286 HydrophobicContact CB-CZ2 2.97Å; C284-W286 HydrophobicContact CB-CZ3 3.22Å; C284-W286 PolarHBondContact O-N 3.12Å; C284-W286 WeakPolarHBondContact SG-CH2 3.41Å; C284-W286 WeakPolarHBondContact SG-CZ2 3.14Å |
| 287 | Y | 45.5 | Very low | 59 | Low | 134 Ų | 134 | 73.7 Ų | 73.7 | 53% | 0.525 | 39% | 0.387 | S | S | . | . | trans | -94.8 | 0 | 162.2 | -114.2 | -92.1 | 0 | 0 | 0 | 110.7 | K72 F147 L150 C284 | K72-Y287 HydrophobicContact CB-CE2 4.46Å; K72-Y287 HydrophobicContact CG-CE2 4.18Å; F147-Y287 VanDerWaalsContact CE2-OH 3.27Å; F147-Y287 WeakPolarHBondContact CE2-OH 3.16Å; L150-Y287 HydrophobicContact CD2-CD2 3.53Å; L150-Y287 HydrophobicContact CD2-CE2 3.11Å; L150-Y287 HydrophobicContact CD2-CG 4.39Å; C284-Y287 PolarHBondContact O-N 3.34Å |
Retrieved 287 of 287 residues in 126.1 ms
(Link to these results)