| 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 | 47 | Very low | 71.1 | Confident | 235 Ų | 235 | 98 Ų | 98 | 100% | 1.158 | 52% | 0.523 | S | S | * | . | 0 | -17.4 | 0 | -82.8 | 172.2 | 166.8 | 0 | 0 | 114.8 | |||||
| 2 | G | 55 | Low | 72.8 | Confident | 55 Ų | 55 | 93.4 Ų | 93.4 | 57% | 0.567 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -74.3 | -25.2 | -171.4 | 0 | 0 | 0 | 0 | 0 | 118.3 | L6 | G2-L6 PolarHBondContact O-N 3.35Å |
| 3 | M | 55.1 | Low | 74.4 | Confident | 157 Ų | 157 | 86.5 Ų | 86.5 | 77% | 0.773 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -79.4 | -25.3 | -169.3 | -151.5 | 145.3 | 66.2 | 0 | 0 | 114.4 | ||
| 4 | S | 61.3 | Low | 75.9 | Confident | 97 Ų | 97 | 84.4 Ų | 84.4 | 68% | 0.678 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -80.1 | -32.3 | 175.3 | -55.9 | 0 | 0 | 0 | 0 | 112.7 | L8 | S4-L8 PolarHBondContact O-N 3.19Å |
| 5 | S | 66.6 | Low | 77.2 | Confident | 66 Ų | 66 | 86.5 Ų | 86.5 | 46% | 0.462 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -68.1 | -35 | 177.3 | 177.8 | 0 | 0 | 0 | 0 | 112.1 | L8 L9 | S5-L8 PolarHBondContact O-N 3.39Å; S5-L9 PolarHBondContact O-N 3.04Å |
| 6 | L | 68.9 | Low | 78.3 | Confident | 26 Ų | 26 | 87.5 Ų | 87.5 | 14% | 0.136 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -64 | -45.2 | 177.1 | -165.8 | 133.8 | 0 | 0 | 0 | 112.7 | G2 L8 L9 K10 L206 Q209 | G2-L6 PolarHBondContact O-N 3.35Å; L6-L8 VanDerWaalsContact C-N 3.33Å; L6-L8 PolarHBondContact O-N 2.67Å; L6-L9 PolarHBondContact O-N 3.35Å; L6-K10 WeakPolarHBondContact O-CB 3.49Å; L6-K10 PolarHBondContact O-N 3.43Å; L6-K10 VanDerWaalsContact O-N 3.08Å; L6-L206 HydrophobicContact CG-CD1 4.21Å; L6-Q209 HydrophobicContact CD1-CB 3.3Å; L6-Q209 HydrophobicContact CD1-CG 4.14Å; L6-Q209 VanDerWaalsContact CD1-OE1 3.24Å; L6-Q209 HydrophobicContact CG-CB 4.44Å |
| 7 | K | 75.3 | Confident | 79.4 | Confident | 128 Ų | 128 | 83 Ų | 83 | 56% | 0.557 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -62.3 | -42.6 | 176.5 | -67.1 | -178.8 | -177.6 | -177.6 | 0 | 110.8 | K10 Y11 | K7-K10 PolarHBondContact O-N 2.72Å; K7-Y11 HydrophobicContact CB-CE2 4.4Å; K7-Y11 WeakPolarHBondContact O-CD2 3.29Å; K7-Y11 PolarHBondContact O-N 3.34Å; K7-Y11 VanDerWaalsContact O-N 3.16Å |
| 8 | L | 85.6 | Confident | 80.3 | Confident | 116 Ų | 116 | 82.2 Ų | 82.2 | 61% | 0.607 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -59.9 | -50.2 | 177.3 | -177.5 | 66.1 | 0 | 0 | 0 | 111.6 | S4 S5 L6 K10 Y11 V12 | S4-L8 PolarHBondContact O-N 3.19Å; S5-L8 PolarHBondContact O-N 3.39Å; L6-L8 VanDerWaalsContact C-N 3.33Å; L6-L8 PolarHBondContact O-N 2.67Å; L8-K10 VanDerWaalsContact C-N 3.31Å; L8-K10 PolarHBondContact O-N 3.04Å; L8-Y11 PolarHBondContact O-N 2.88Å; L8-V12 HydrophobicContact CD1-CG2 4.13Å; L8-V12 HydrophobicContact CG-CG2 4.24Å; L8-V12 WeakPolarHBondContact O-CB 3.46Å; L8-V12 VanDerWaalsContact O-CG2 3.24Å; L8-V12 WeakPolarHBondContact O-CG2 3.26Å; L8-V12 PolarHBondContact O-N 3.42Å |
| 9 | L | 86.7 | Confident | 81.3 | Confident | 23 Ų | 23 | 81.8 Ų | 81.8 | 12% | 0.12 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -61.4 | -40.6 | -177.9 | -164 | 69.8 | 0 | 0 | 0 | 112.2 | S5 L6 V12 L13 F202 T205 L206 | S5-L9 PolarHBondContact O-N 3.04Å; L6-L9 PolarHBondContact O-N 3.35Å; L9-V12 PolarHBondContact O-N 3.07Å; L9-L13 WeakPolarHBondContact O-CB 3.33Å; L9-L13 PolarHBondContact O-N 2.79Å; L9-F202 HydrophobicContact CD1-CB 3.9Å; L9-F202 HydrophobicContact CD1-CD1 3.5Å; L9-F202 HydrophobicContact CD1-CD2 4.31Å; L9-F202 HydrophobicContact CD1-CE1 4.03Å; L9-F202 HydrophobicContact CD1-CG 3.65Å; L9-F202 HydrophobicContact CG-CB 4.33Å; L9-T205 HydrophobicContact CD2-CG2 3.75Å; L9-L206 HydrophobicContact CD2-CB 3.98Å |
| 10 | K | 89.1 | Confident | 82.1 | Confident | 30 Ų | 30 | 81.7 Ų | 81.7 | 13% | 0.13 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -55.8 | -53.3 | 173.9 | 173.4 | 176.5 | -174.6 | 166.5 | 0 | 111.9 | L6 K7 L8 F14 S74 I75 E77 L206 | L6-K10 WeakPolarHBondContact O-CB 3.49Å; L6-K10 PolarHBondContact O-N 3.43Å; L6-K10 VanDerWaalsContact O-N 3.08Å; K7-K10 PolarHBondContact O-N 2.72Å; L8-K10 VanDerWaalsContact C-N 3.31Å; L8-K10 PolarHBondContact O-N 3.04Å; K10-F14 VanDerWaalsContact O-CB 3.32Å; K10-F14 WeakPolarHBondContact O-CB 3.41Å; K10-F14 PolarHBondContact O-N 3.35Å; K10-S74 VanDerWaalsContact CE-O 3.28Å; K10-S74 WeakPolarHBondContact CE-O 3.48Å; K10-S74 WeakPolarHBondContact CG-O 3.41Å; K10-I75 WeakPolarHBondContact CE-O 3.21Å; K10-I75 PolarHBondContact NZ-O 3.47Å; K10-I75 VanDerWaalsContact NZ-O 3.12Å; K10-E77 HydrophobicContact CD-CG 4.46Å; K10-E77 WeakPolarHBondContact CD-OE1 3.22Å; K10-E77 IonicContact NZ-OE1 3.96Å; K10-E77 PolarHBondContact NZ-OE1 3.4Å; K10-L206 HydrophobicContact CB-CD1 4.49Å |
| 11 | Y | 91.1 | Very high | 82.8 | Confident | 145 Ų | 145 | 81.3 Ų | 81.3 | 57% | 0.569 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -69 | -36 | -178.3 | -70.2 | -64.8 | 0 | 0 | 0 | 112.5 | K7 L8 F15 | K7-Y11 HydrophobicContact CB-CE2 4.4Å; K7-Y11 WeakPolarHBondContact O-CD2 3.29Å; K7-Y11 PolarHBondContact O-N 3.34Å; K7-Y11 VanDerWaalsContact O-N 3.16Å; L8-Y11 PolarHBondContact O-N 2.88Å; Y11-F15 VanDerWaalsContact O-CB 3.22Å; Y11-F15 WeakPolarHBondContact O-CB 3.49Å; Y11-F15 PolarHBondContact O-N 3.25Å |
| 12 | V | 92.3 | Very high | 85.3 | Confident | 43 Ų | 43 | 74.4 Ų | 74.4 | 26% | 0.261 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -62.8 | -50.4 | 175.3 | 169.3 | 0 | 0 | 0 | 0 | 110.7 | L8 L9 F14 F15 F16 F202 | L8-V12 HydrophobicContact CD1-CG2 4.13Å; L8-V12 HydrophobicContact CG-CG2 4.24Å; L8-V12 WeakPolarHBondContact O-CB 3.46Å; L8-V12 VanDerWaalsContact O-CG2 3.24Å; L8-V12 WeakPolarHBondContact O-CG2 3.26Å; L8-V12 PolarHBondContact O-N 3.42Å; L9-V12 PolarHBondContact O-N 3.07Å; V12-F14 VanDerWaalsContact C-N 3.35Å; V12-F14 PolarHBondContact O-N 3.29Å; V12-F15 PolarHBondContact O-N 3.41Å; V12-F16 HydrophobicContact CG1-CD2 3.79Å; V12-F16 HydrophobicContact CG1-CE2 3.78Å; V12-F16 VanDerWaalsContact O-CD2 3.28Å; V12-F16 WeakPolarHBondContact O-CD2 3.3Å; V12-F16 PolarHBondContact O-N 3.42Å; V12-F16 VanDerWaalsContact O-N 3.1Å; V12-F202 HydrophobicContact CG1-CE2 4.24Å |
| 13 | L | 93.1 | Very high | 87.3 | Confident | 4 Ų | 4 | 74.9 Ų | 74.9 | 2% | 0.021 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -63 | -43.1 | 179.5 | -160.5 | 155.8 | 0 | 0 | 0 | 110.8 | L9 N17 G70 F202 A203 | L9-L13 WeakPolarHBondContact O-CB 3.33Å; L9-L13 PolarHBondContact O-N 2.79Å; L13-N17 WeakPolarHBondContact CD2-ND2 3.21Å; L13-N17 WeakPolarHBondContact O-CB 3.26Å; L13-N17 PolarHBondContact O-N 2.88Å; L13-N17 VanDerWaalsContact O-N 3.07Å; L13-N17 PolarHBondContact O-ND2 3.25Å; L13-G70 VanDerWaalsContact CD2-O 3.25Å; L13-G70 WeakPolarHBondContact CD2-O 3.25Å; L13-F202 HydrophobicContact CD1-CB 3.88Å; L13-A203 HydrophobicContact CD1-CB 4.41Å |
| 14 | F | 95.1 | Very high | 89.3 | Confident | 57 Ų | 57 | 67.4 Ų | 67.4 | 25% | 0.25 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -60.1 | -48 | 175.3 | -178.8 | -102.2 | 0 | 0 | 0 | 112.3 | K10 V12 N17 L18 C71 I75 | K10-F14 VanDerWaalsContact O-CB 3.32Å; K10-F14 WeakPolarHBondContact O-CB 3.41Å; K10-F14 PolarHBondContact O-N 3.35Å; V12-F14 VanDerWaalsContact C-N 3.35Å; V12-F14 PolarHBondContact O-N 3.29Å; F14-N17 PolarHBondContact O-N 3.5Å; F14-L18 HydrophobicContact CE1-CD2 4.13Å; F14-L18 HydrophobicContact CZ-CD2 4.39Å; F14-L18 VanDerWaalsContact O-CB 3.26Å; F14-L18 WeakPolarHBondContact O-CB 3.47Å; F14-L18 PolarHBondContact O-N 3.46Å; F14-C71 HydrophobicContact CD2-CB 4.13Å; F14-C71 HydrophobicContact CE2-CB 4.18Å; F14-I75 HydrophobicContact CD2-CB 4.11Å; F14-I75 HydrophobicContact CE2-CB 4.31Å |
| 15 | F | 95.6 | Very high | 91.1 | Very high | 116 Ų | 116 | 65.2 Ų | 65.2 | 51% | 0.509 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.1 | -50.4 | -177.6 | 175.7 | -102.7 | 0 | 0 | 0 | 112.2 | Y11 V12 L18 L19 | Y11-F15 VanDerWaalsContact O-CB 3.22Å; Y11-F15 WeakPolarHBondContact O-CB 3.49Å; Y11-F15 PolarHBondContact O-N 3.25Å; V12-F15 PolarHBondContact O-N 3.41Å; F15-L18 PolarHBondContact O-N 2.72Å; F15-L19 HydrophobicContact CD1-CD1 4.26Å; F15-L19 HydrophobicContact CE1-CD1 3.66Å; F15-L19 HydrophobicContact CE2-CD1 4.43Å; F15-L19 HydrophobicContact CZ-CD1 3.76Å; F15-L19 HydrophobicContact CZ-CG 4.4Å; F15-L19 WeakPolarHBondContact O-CG 3.25Å; F15-L19 PolarHBondContact O-N 3.13Å; F15-L19 VanDerWaalsContact O-N 3.11Å |
| 16 | F | 95.1 | Very high | 92.6 | Very high | 102 Ų | 102 | 66.1 Ų | 66.1 | 45% | 0.447 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -66.1 | -42.3 | 179.8 | -76.3 | -65.3 | 0 | 0 | 0 | 112.5 | V12 L18 L19 F20 | V12-F16 HydrophobicContact CG1-CD2 3.79Å; V12-F16 HydrophobicContact CG1-CE2 3.78Å; V12-F16 VanDerWaalsContact O-CD2 3.28Å; V12-F16 WeakPolarHBondContact O-CD2 3.3Å; V12-F16 PolarHBondContact O-N 3.42Å; V12-F16 VanDerWaalsContact O-N 3.1Å; F16-L18 VanDerWaalsContact C-N 3.28Å; F16-L18 PolarHBondContact O-N 2.97Å; F16-L19 PolarHBondContact O-N 3.4Å; F16-F20 HydrophobicContact CB-CE2 4.37Å; F16-F20 VanDerWaalsContact O-CD2 3.3Å; F16-F20 WeakPolarHBondContact O-CD2 3.49Å; F16-F20 WeakPolarHBondContact O-CG 3.4Å; F16-F20 PolarHBondContact O-N 3.2Å |
| 17 | N | 96.3 | Very high | 94 | Very high | 11 Ų | 11 | 67.3 Ų | 67.3 | 6% | 0.059 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -66.9 | -30.6 | 176.3 | -77.8 | -85.3 | 0 | 0 | 0 | 111.9 | L13 F14 F20 W21 A67 C71 F85 | L13-N17 WeakPolarHBondContact CD2-ND2 3.21Å; L13-N17 WeakPolarHBondContact O-CB 3.26Å; L13-N17 PolarHBondContact O-N 2.88Å; L13-N17 VanDerWaalsContact O-N 3.07Å; L13-N17 PolarHBondContact O-ND2 3.25Å; F14-N17 PolarHBondContact O-N 3.5Å; N17-F20 PolarHBondContact O-N 2.84Å; N17-W21 VanDerWaalsContact O-CB 3.29Å; N17-W21 WeakPolarHBondContact O-CB 3.44Å; N17-W21 PolarHBondContact O-N 3.34Å; N17-A67 WeakPolarHBondContact O-CB 3.2Å; N17-C71 WeakPolarHBondContact CB-SG 3.37Å; N17-F85 WeakPolarHBondContact OD1-CE2 3.3Å |
| 18 | L | 97.3 | Very high | 95 | Very high | 68 Ų | 68 | 62.5 Ų | 62.5 | 36% | 0.356 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -66.2 | -40.6 | 174.5 | -177 | 64.4 | 0 | 0 | 0 | 111.2 | F14 F15 F16 W21 I22 C71 | F14-L18 HydrophobicContact CE1-CD2 4.13Å; F14-L18 HydrophobicContact CZ-CD2 4.39Å; F14-L18 VanDerWaalsContact O-CB 3.26Å; F14-L18 WeakPolarHBondContact O-CB 3.47Å; F14-L18 PolarHBondContact O-N 3.46Å; F15-L18 PolarHBondContact O-N 2.72Å; F16-L18 VanDerWaalsContact C-N 3.28Å; F16-L18 PolarHBondContact O-N 2.97Å; L18-W21 PolarHBondContact O-N 3.3Å; L18-I22 WeakPolarHBondContact O-CG1 3.44Å; L18-I22 PolarHBondContact O-N 3.07Å; L18-I22 VanDerWaalsContact O-N 3.1Å; L18-C71 PolarHBondContact N-SG 3.48Å |
| 19 | L | 97.6 | Very high | 95.6 | Very high | 76 Ų | 76 | 58.8 Ų | 58.8 | 40% | 0.398 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.5 | -47.5 | 173.4 | -66.4 | 177.6 | 0 | 0 | 0 | 111.1 | F15 F16 W21 I22 C23 | F15-L19 HydrophobicContact CD1-CD1 4.26Å; F15-L19 HydrophobicContact CE1-CD1 3.66Å; F15-L19 HydrophobicContact CE2-CD1 4.43Å; F15-L19 HydrophobicContact CZ-CD1 3.76Å; F15-L19 HydrophobicContact CZ-CG 4.4Å; F15-L19 WeakPolarHBondContact O-CG 3.25Å; F15-L19 PolarHBondContact O-N 3.13Å; F15-L19 VanDerWaalsContact O-N 3.11Å; F16-L19 PolarHBondContact O-N 3.4Å; L19-W21 VanDerWaalsContact C-N 3.3Å; L19-W21 PolarHBondContact O-N 2.93Å; L19-I22 PolarHBondContact O-N 3.3Å; L19-C23 PolarHBondContact O-N 2.95Å; L19-C23 PolarHBondContact O-SG 3.34Å |
| 20 | F | 97.2 | Very high | 96 | Very high | 78 Ų | 78 | 62.2 Ų | 62.2 | 34% | 0.342 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.6 | -35.2 | 177.4 | -64.3 | -36.6 | 0 | 0 | 0 | 113 | F16 N17 C23 G24 I63 A67 I195 | F16-F20 HydrophobicContact CB-CE2 4.37Å; F16-F20 VanDerWaalsContact O-CD2 3.3Å; F16-F20 WeakPolarHBondContact O-CD2 3.49Å; F16-F20 WeakPolarHBondContact O-CG 3.4Å; F16-F20 PolarHBondContact O-N 3.2Å; N17-F20 PolarHBondContact O-N 2.84Å; F20-C23 PolarHBondContact O-N 3.22Å; F20-G24 PolarHBondContact O-N 3.05Å; F20-I63 HydrophobicContact CB-CG2 4.42Å; F20-I63 WeakPolarHBondContact O-CG2 3.35Å; F20-A67 HydrophobicContact CB-CB 4.1Å; F20-I195 HydrophobicContact CE2-CG2 3.87Å; F20-I195 HydrophobicContact CZ-CG2 3.72Å |
| 21 | W | 98.2 | Very high | 96.3 | Very high | 74 Ų | 74 | 60.8 Ų | 60.8 | 28% | 0.28 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -60.5 | -47.9 | 173.4 | 176.2 | -92.3 | 0 | 0 | 0 | 111.2 | N17 L18 L19 C23 G24 C25 M64 A67 F68 | N17-W21 VanDerWaalsContact O-CB 3.29Å; N17-W21 WeakPolarHBondContact O-CB 3.44Å; N17-W21 PolarHBondContact O-N 3.34Å; L18-W21 PolarHBondContact O-N 3.3Å; L19-W21 VanDerWaalsContact C-N 3.3Å; L19-W21 PolarHBondContact O-N 2.93Å; W21-C23 PolarHBondContact O-N 3.07Å; W21-G24 PolarHBondContact O-N 3.06Å; W21-C25 PolarHBondContact O-N 2.91Å; W21-C25 PolarHBondContact O-SG 3.29Å; W21-C25 VanDerWaalsContact O-SG 3.36Å; W21-M64 HydrophobicContact CD2-CG 4.05Å; W21-M64 HydrophobicContact CE3-CB 4.23Å; W21-M64 HydrophobicContact CE3-CG 3.49Å; W21-M64 VanDerWaalsContact CE3-CG 3.49Å; W21-M64 HydrophobicContact CH2-CG 3.3Å; W21-M64 HydrophobicContact CH2-SD 3.97Å; W21-M64 HydrophobicContact CZ2-CG 3.89Å; W21-M64 HydrophobicContact CZ2-SD 4.27Å; W21-M64 VanDerWaalsContact CZ3-C 3.4Å; W21-M64 HydrophobicContact CZ3-CB 3.99Å; W21-M64 HydrophobicContact CZ3-CG 3.01Å; W21-M64 WeakPolarHBondContact CZ3-O 3.16Å; W21-M64 HydrophobicContact CZ3-SD 4.27Å; W21-A67 HydrophobicContact CB-CB 3.85Å; W21-A67 HydrophobicContact CE3-CB 4.3Å; W21-F68 HydrophobicContact CE3-CB 3.78Å; W21-F68 HydrophobicContact CE3-CD2 4.44Å; W21-F68 HydrophobicContact CH2-CB 4.11Å; W21-F68 AromaticContact CH2-CD2 3.89Å; W21-F68 HydrophobicContact CH2-CD2 3.89Å; W21-F68 HydrophobicContact CH2-CG 4.26Å; W21-F68 HydrophobicContact CZ2-CD2 4.43Å; W21-F68 HydrophobicContact CZ3-CB 3.35Å; W21-F68 AromaticContact CZ3-CD2 3.94Å; W21-F68 HydrophobicContact CZ3-CD2 3.94Å; W21-F68 AromaticContact CZ3-CG 3.99Å; W21-F68 HydrophobicContact CZ3-CG 3.99Å |
| 22 | I | 98.1 | Very high | 96.5 | Very high | 90 Ų | 90 | 57.6 Ų | 57.6 | 46% | 0.462 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -61.9 | -45.6 | 177.1 | -65.2 | 168.2 | 0 | 0 | 0 | 110.3 | L18 L19 G24 C25 C26 | L18-I22 WeakPolarHBondContact O-CG1 3.44Å; L18-I22 PolarHBondContact O-N 3.07Å; L18-I22 VanDerWaalsContact O-N 3.1Å; L19-I22 PolarHBondContact O-N 3.3Å; I22-G24 VanDerWaalsContact C-N 3.33Å; I22-G24 PolarHBondContact O-N 3.36Å; I22-C25 WeakPolarHBondContact O-CB 3.34Å; I22-C25 PolarHBondContact O-N 3.23Å; I22-C26 PolarHBondContact O-N 3.27Å; I22-C26 PolarHBondContact O-SG 3.21Å; I22-C26 VanDerWaalsContact O-SG 3.33Å |
| 23 | C | 97.9 | Very high | 96.6 | Very high | 66 Ų | 66 | 61 Ų | 61 | 45% | 0.446 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -58.1 | -44.4 | 174.9 | -66.8 | 0 | 0 | 0 | 0 | 111.9 | L19 F20 W21 C25 C26 I27 | L19-C23 PolarHBondContact O-N 2.95Å; L19-C23 PolarHBondContact O-SG 3.34Å; F20-C23 PolarHBondContact O-N 3.22Å; W21-C23 PolarHBondContact O-N 3.07Å; C23-C25 PolarHBondContact O-N 3.41Å; C23-C26 PolarHBondContact O-N 2.95Å; C23-I27 VanDerWaalsContact O-CG1 3.26Å; C23-I27 WeakPolarHBondContact O-CG1 3.45Å; C23-I27 PolarHBondContact O-N 3.41Å |
| 24 | G | 98.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -59.3 | -45.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | F20 W21 I22 C26 I27 L28 | F20-G24 PolarHBondContact O-N 3.05Å; W21-G24 PolarHBondContact O-N 3.06Å; I22-G24 VanDerWaalsContact C-N 3.33Å; I22-G24 PolarHBondContact O-N 3.36Å; G24-C26 PolarHBondContact O-N 3.24Å; G24-I27 PolarHBondContact O-N 3.41Å; G24-L28 WeakPolarHBondContact O-CB 3.3Å; G24-L28 PolarHBondContact O-N 3.35Å |
| 25 | C | 98.1 | Very high | 96.2 | Very high | 50 Ų | 50 | 62.2 Ų | 62.2 | 34% | 0.338 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -60.9 | -41.9 | 174.2 | -70.4 | 0 | 0 | 0 | 0 | 112.4 | W21 I22 C23 G29 | W21-C25 PolarHBondContact O-N 2.91Å; W21-C25 PolarHBondContact O-SG 3.29Å; W21-C25 VanDerWaalsContact O-SG 3.36Å; I22-C25 WeakPolarHBondContact O-CB 3.34Å; I22-C25 PolarHBondContact O-N 3.23Å; C23-C25 PolarHBondContact O-N 3.41Å; C25-G29 PolarHBondContact O-N 2.99Å |
| 26 | C | 98.3 | Very high | 95.8 | Very high | 85 Ų | 85 | 63.4 Ų | 63.4 | 57% | 0.574 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -65.2 | -45.3 | 176.7 | -67.9 | 0 | 0 | 0 | 0 | 112 | I22 C23 G24 G29 F30 | I22-C26 PolarHBondContact O-N 3.27Å; I22-C26 PolarHBondContact O-SG 3.21Å; I22-C26 VanDerWaalsContact O-SG 3.33Å; C23-C26 PolarHBondContact O-N 2.95Å; G24-C26 PolarHBondContact O-N 3.24Å; C26-G29 PolarHBondContact O-N 3.41Å; C26-F30 WeakPolarHBondContact O-CB 3.46Å; C26-F30 PolarHBondContact O-N 3.44Å |
| 27 | I | 97.9 | Very high | 95.2 | Very high | 52 Ų | 52 | 64.5 Ų | 64.5 | 27% | 0.267 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -63.4 | -45.8 | 178 | -68.5 | 167.9 | 0 | 0 | 0 | 110.4 | C23 G24 F30 G31 F56 I63 | C23-I27 VanDerWaalsContact O-CG1 3.26Å; C23-I27 WeakPolarHBondContact O-CG1 3.45Å; C23-I27 PolarHBondContact O-N 3.41Å; G24-I27 PolarHBondContact O-N 3.41Å; I27-F30 PolarHBondContact O-N 3.29Å; I27-G31 PolarHBondContact O-N 3.25Å; I27-F56 HydrophobicContact CG2-CB 4.48Å; I27-F56 HydrophobicContact CG2-CD1 3.87Å; I27-F56 WeakPolarHBondContact CG2-O 3.31Å; I27-I63 HydrophobicContact CD1-CD1 4.05Å |
| 28 | L | 97.5 | Very high | 94.3 | Very high | 27 Ų | 27 | 66.7 Ų | 66.7 | 14% | 0.141 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61.8 | -48.1 | 176.7 | 178.5 | 61.9 | 0 | 0 | 0 | 111.3 | G24 F30 G31 I32 V57 S61 M64 | G24-L28 WeakPolarHBondContact O-CB 3.3Å; G24-L28 PolarHBondContact O-N 3.35Å; L28-F30 VanDerWaalsContact C-N 3.32Å; L28-F30 PolarHBondContact O-N 2.9Å; L28-G31 PolarHBondContact O-N 2.96Å; L28-G31 VanDerWaalsContact O-N 3.15Å; L28-I32 HydrophobicContact CD1-CD1 4.24Å; L28-I32 HydrophobicContact CD1-CG1 4.47Å; L28-I32 HydrophobicContact CG-CD1 4.08Å; L28-I32 WeakPolarHBondContact O-CG1 3.24Å; L28-I32 PolarHBondContact O-N 2.85Å; L28-V57 HydrophobicContact CD1-CB 4.14Å; L28-V57 HydrophobicContact CD1-CG1 3.79Å; L28-V57 HydrophobicContact CD1-CG2 4.22Å; L28-S61 WeakPolarHBondContact CD1-OG 3.44Å; L28-M64 HydrophobicContact CD2-CE 3.75Å; L28-M64 HydrophobicContact CD2-SD 3.83Å |
| 29 | G | 96.8 | Very high | 93.1 | Very high | 37 Ų | 37 | 69.7 Ų | 69.7 | 38% | 0.381 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -60.5 | -41.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | C25 C26 I32 Y33 | C25-G29 PolarHBondContact O-N 2.99Å; C26-G29 PolarHBondContact O-N 3.41Å; G29-I32 PolarHBondContact O-N 2.98Å; G29-Y33 WeakPolarHBondContact O-CB 3.24Å; G29-Y33 PolarHBondContact O-N 2.9Å |
| 30 | F | 95.8 | Very high | 92.1 | Very high | 96 Ų | 96 | 69.7 Ų | 69.7 | 42% | 0.421 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -64.8 | -43 | 173.1 | -174.9 | -112.5 | 0 | 0 | 0 | 111.7 | C26 I27 L28 I32 Y33 L34 F56 | C26-F30 WeakPolarHBondContact O-CB 3.46Å; C26-F30 PolarHBondContact O-N 3.44Å; I27-F30 PolarHBondContact O-N 3.29Å; L28-F30 VanDerWaalsContact C-N 3.32Å; L28-F30 PolarHBondContact O-N 2.9Å; F30-I32 PolarHBondContact O-N 3.43Å; F30-Y33 HydrophobicContact CD2-CD1 4.37Å; F30-Y33 HydrophobicContact CE2-CD1 4.4Å; F30-Y33 WeakPolarHBondContact O-CB 3.26Å; F30-Y33 PolarHBondContact O-N 3.43Å; F30-L34 HydrophobicContact CD1-CD1 4.05Å; F30-L34 HydrophobicContact CD1-CG 4.25Å; F30-L34 HydrophobicContact CE1-CD1 3.62Å; F30-L34 HydrophobicContact CE1-CD2 4.12Å; F30-L34 HydrophobicContact CE1-CG 3.98Å; F30-L34 HydrophobicContact CE2-CD2 4.01Å; F30-L34 HydrophobicContact CE2-CG 4.42Å; F30-L34 HydrophobicContact CZ-CD1 4.09Å; F30-L34 HydrophobicContact CZ-CD2 3.71Å; F30-L34 HydrophobicContact CZ-CG 4.07Å; F30-L34 WeakPolarHBondContact O-CG 3.42Å; F30-L34 PolarHBondContact O-N 2.89Å; F30-F56 AromaticContact CD1-CD1 3.72Å; F30-F56 HydrophobicContact CD1-CD1 3.72Å; F30-F56 AromaticContact CD1-CE1 3.73Å; F30-F56 HydrophobicContact CD1-CE1 3.73Å; F30-F56 HydrophobicContact CD1-CG 4.34Å; F30-F56 HydrophobicContact CD1-CZ 4.35Å; F30-F56 HydrophobicContact CE1-CD1 4.38Å; F30-F56 HydrophobicContact CE1-CE1 4.05Å; F30-F56 HydrophobicContact CE1-CZ 4.22Å |
| 31 | G | 95.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -57.7 | -46.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | I27 L28 Y33 L34 L35 | I27-G31 PolarHBondContact O-N 3.25Å; L28-G31 PolarHBondContact O-N 2.96Å; L28-G31 VanDerWaalsContact O-N 3.15Å; G31-Y33 VanDerWaalsContact C-N 3.35Å; G31-L34 PolarHBondContact O-N 3.47Å; G31-L35 WeakPolarHBondContact O-CG 3.44Å; G31-L35 PolarHBondContact O-N 3.44Å |
| 32 | I | 94.6 | Very high | 90.8 | Very high | 78 Ų | 78 | 64.2 Ų | 64.2 | 40% | 0.4 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.1 | -43.7 | 175.1 | -66.6 | 168 | 0 | 0 | 0 | 110.6 | L28 G29 F30 L34 L35 I36 V57 | L28-I32 HydrophobicContact CD1-CD1 4.24Å; L28-I32 HydrophobicContact CD1-CG1 4.47Å; L28-I32 HydrophobicContact CG-CD1 4.08Å; L28-I32 WeakPolarHBondContact O-CG1 3.24Å; L28-I32 PolarHBondContact O-N 2.85Å; G29-I32 PolarHBondContact O-N 2.98Å; F30-I32 PolarHBondContact O-N 3.43Å; I32-L34 VanDerWaalsContact C-N 3.33Å; I32-L34 PolarHBondContact O-N 3.42Å; I32-L35 PolarHBondContact O-N 2.91Å; I32-I36 HydrophobicContact CG2-CD1 3.65Å; I32-I36 HydrophobicContact CG2-CG1 4.36Å; I32-I36 WeakPolarHBondContact O-CG1 3.26Å; I32-I36 PolarHBondContact O-N 3.4Å; I32-V57 HydrophobicContact CG1-CG2 4.07Å |
| 33 | Y | 94.5 | Very high | 90.2 | Very high | 114 Ų | 114 | 61.5 Ų | 61.5 | 45% | 0.447 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -58.1 | -44.7 | 175.6 | 172.8 | -98.2 | 0 | 0 | 0 | 111.7 | G29 F30 G31 L35 I36 H37 | G29-Y33 WeakPolarHBondContact O-CB 3.24Å; G29-Y33 PolarHBondContact O-N 2.9Å; F30-Y33 HydrophobicContact CD2-CD1 4.37Å; F30-Y33 HydrophobicContact CE2-CD1 4.4Å; F30-Y33 WeakPolarHBondContact O-CB 3.26Å; F30-Y33 PolarHBondContact O-N 3.43Å; G31-Y33 VanDerWaalsContact C-N 3.35Å; Y33-L35 PolarHBondContact O-N 2.69Å; Y33-I36 PolarHBondContact O-N 2.97Å; Y33-H37 HydrophobicContact CD2-CB 4.28Å; Y33-H37 HydrophobicContact CE1-CB 4.45Å; Y33-H37 HydrophobicContact CE2-CB 3.9Å; Y33-H37 AromaticContact CZ-CD2 3.79Å; Y33-H37 AromaticContact CZ-CG 3.98Å; Y33-H37 VanDerWaalsContact O-CB 3.27Å; Y33-H37 WeakPolarHBondContact O-CB 3.31Å; Y33-H37 PolarHBondContact O-N 2.9Å; Y33-H37 PolarHBondContact OH-CD2 3.05Å; Y33-H37 VanDerWaalsContact OH-CD2 3.23Å |
| 34 | L | 90.9 | Very high | 89.4 | Confident | 6 Ų | 6 | 60.1 Ų | 60.1 | 3% | 0.031 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.8 | -42.5 | 175.9 | -64.1 | -176.2 | 0 | 0 | 0 | 111.7 | F30 G31 I32 I36 N38 F40 L52 F56 | F30-L34 HydrophobicContact CD1-CD1 4.05Å; F30-L34 HydrophobicContact CD1-CG 4.25Å; F30-L34 HydrophobicContact CE1-CD1 3.62Å; F30-L34 HydrophobicContact CE1-CD2 4.12Å; F30-L34 HydrophobicContact CE1-CG 3.98Å; F30-L34 HydrophobicContact CE2-CD2 4.01Å; F30-L34 HydrophobicContact CE2-CG 4.42Å; F30-L34 HydrophobicContact CZ-CD1 4.09Å; F30-L34 HydrophobicContact CZ-CD2 3.71Å; F30-L34 HydrophobicContact CZ-CG 4.07Å; F30-L34 WeakPolarHBondContact O-CG 3.42Å; F30-L34 PolarHBondContact O-N 2.89Å; G31-L34 PolarHBondContact O-N 3.47Å; I32-L34 VanDerWaalsContact C-N 3.33Å; I32-L34 PolarHBondContact O-N 3.42Å; L34-I36 VanDerWaalsContact C-N 3.33Å; L34-I36 PolarHBondContact O-N 3.49Å; L34-N38 VanDerWaalsContact CD2-ND2 3.32Å; L34-N38 WeakPolarHBondContact CD2-ND2 3.49Å; L34-N38 CarbonylContact O-C 3.49Å; L34-N38 WeakPolarHBondContact O-CA 3.26Å; L34-N38 PolarHBondContact O-N 3.08Å; L34-F40 HydrophobicContact CD2-CE2 4.09Å; L34-L52 HydrophobicContact CD1-CD2 4.01Å; L34-L52 HydrophobicContact CD1-CG 4.08Å; L34-F56 HydrophobicContact CD1-CD2 4.48Å |
| 35 | L | 88.9 | Confident | 88.5 | Confident | 80 Ų | 80 | 64.6 Ų | 64.6 | 42% | 0.419 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -65.7 | -33.8 | 179.8 | -70.2 | 176.1 | 0 | 0 | 0 | 113.5 | G31 I32 Y33 N54 V57 | G31-L35 WeakPolarHBondContact O-CG 3.44Å; G31-L35 PolarHBondContact O-N 3.44Å; I32-L35 PolarHBondContact O-N 2.91Å; Y33-L35 PolarHBondContact O-N 2.69Å; L35-N54 WeakPolarHBondContact CD1-OD1 3.43Å; L35-N54 WeakPolarHBondContact CD2-OD1 3.47Å; L35-V57 HydrophobicContact CD1-CG2 3.75Å |
| 36 | I | 88.8 | Confident | 87.5 | Confident | 142 Ų | 142 | 68 Ų | 68 | 73% | 0.728 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -84.7 | -43.8 | -178.7 | -64.2 | 172 | 0 | 0 | 0 | 111.2 | I32 Y33 L34 | I32-I36 HydrophobicContact CG2-CD1 3.65Å; I32-I36 HydrophobicContact CG2-CG1 4.36Å; I32-I36 WeakPolarHBondContact O-CG1 3.26Å; I32-I36 PolarHBondContact O-N 3.4Å; Y33-I36 PolarHBondContact O-N 2.97Å; L34-I36 VanDerWaalsContact C-N 3.33Å; L34-I36 PolarHBondContact O-N 3.49Å |
| 37 | H | 82.2 | Confident | 86.8 | Confident | 125 Ų | 125 | 67.3 Ų | 67.3 | 58% | 0.579 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -96.5 | -33.3 | -167.7 | -160.2 | 68.6 | 0 | 0 | 0 | 113.6 | Y33 | Y33-H37 HydrophobicContact CD2-CB 4.28Å; Y33-H37 HydrophobicContact CE1-CB 4.45Å; Y33-H37 HydrophobicContact CE2-CB 3.9Å; Y33-H37 AromaticContact CZ-CD2 3.79Å; Y33-H37 AromaticContact CZ-CG 3.98Å; Y33-H37 VanDerWaalsContact O-CB 3.27Å; Y33-H37 WeakPolarHBondContact O-CB 3.31Å; Y33-H37 PolarHBondContact O-N 2.9Å; Y33-H37 PolarHBondContact OH-CD2 3.05Å; Y33-H37 VanDerWaalsContact OH-CD2 3.23Å |
| 38 | N | 76.2 | Confident | 86 | Confident | 57 Ų | 57 | 68.8 Ų | 68.8 | 31% | 0.305 | 36% | 0.356 | S | S | . | . | trans | -114.4 | 109.6 | -172.5 | -65.9 | -29.9 | 0 | 0 | 0 | 110.9 | L34 F40 | L34-N38 VanDerWaalsContact CD2-ND2 3.32Å; L34-N38 WeakPolarHBondContact CD2-ND2 3.49Å; L34-N38 CarbonylContact O-C 3.49Å; L34-N38 WeakPolarHBondContact O-CA 3.26Å; L34-N38 PolarHBondContact O-N 3.08Å; N38-F40 VanDerWaalsContact C-N 3.31Å; N38-F40 HydrophobicContact CB-CD2 3.69Å; N38-F40 HydrophobicContact CB-CE2 3.33Å; N38-F40 HydrophobicContact CB-CZ 4Å; N38-F40 PolarHBondContact O-N 2.96Å | ||
| 39 | N | 72.9 | Confident | 85.1 | Confident | 130 Ų | 130 | 71.2 Ų | 71.2 | 70% | 0.695 | 38% | 0.375 | S | S | * | . | trans | -85.1 | 78 | 170 | -165.6 | 0.6 | 0 | 0 | 0 | 110.2 | G41 | N39-G41 PolarHBondContact O-N 3.31Å; N39-G41 PolarHBondContact OD1-N 3.45Å; N39-G41 VanDerWaalsContact OD1-N 3.12Å | ||
| 40 | F | 75.6 | Confident | 84.5 | Confident | 77 Ų | 77 | 73.6 Ų | 73.6 | 34% | 0.338 | 38% | 0.378 | S | S | . | . | trans | -66.4 | 3.7 | 169.9 | -69.6 | -74.3 | 0 | 0 | 0 | 113 | L34 N38 L52 A134 | L34-F40 HydrophobicContact CD2-CE2 4.09Å; N38-F40 VanDerWaalsContact C-N 3.31Å; N38-F40 HydrophobicContact CB-CD2 3.69Å; N38-F40 HydrophobicContact CB-CE2 3.33Å; N38-F40 HydrophobicContact CB-CZ 4Å; N38-F40 PolarHBondContact O-N 2.96Å; F40-L52 HydrophobicContact CE2-CD2 4.38Å; F40-A134 WeakPolarHBondContact O-CA 3.49Å; F40-A134 VanDerWaalsContact O-CB 3.31Å; F40-A134 WeakPolarHBondContact O-CB 3.22Å; F40-A134 PolarHBondContact O-N 2.9Å | ||
| 41 | G | 81.6 | Confident | 84.1 | Confident | 8 Ų | 8 | 70.1 Ų | 70.1 | 8% | 0.082 | 37% | 0.365 | C | S | . | . | trans | 66.4 | -170.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | N39 S130 | N39-G41 PolarHBondContact O-N 3.31Å; N39-G41 PolarHBondContact OD1-N 3.45Å; N39-G41 VanDerWaalsContact OD1-N 3.12Å; G41-S130 WeakPolarHBondContact CA-O 2.95Å | ||
| 42 | V | 86.8 | Confident | 83.7 | Confident | 28 Ų | 28 | 74.4 Ų | 74.4 | 17% | 0.17 | 39% | 0.387 | C | S | . | . | trans | -121.9 | 113.8 | 179.1 | 174.7 | 0 | 0 | 0 | 0 | 107.7 | F44 P48 T51 S130 T131 | V42-F44 VanDerWaalsContact CG1-O 3.23Å; V42-F44 WeakPolarHBondContact CG1-O 3.39Å; V42-P48 HydrophobicContact CG1-CB 4.43Å; V42-T51 HydrophobicContact CG2-CG2 4.16Å; V42-S130 PolarHBondContact N-O 2.99Å; V42-T131 WeakPolarHBondContact O-CA 3.37Å | ||
| 43 | L | 84.7 | Confident | 83.6 | Confident | 33 Ų | 33 | 70.8 Ų | 70.8 | 17% | 0.173 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -71.1 | -43.8 | -178.4 | -173.8 | 61.2 | 0 | 0 | 0 | 111.5 | L118 S121 A134 W135 I138 | L43-L118 HydrophobicContact CD1-CD2 4.18Å; L43-L118 HydrophobicContact CD2-CD2 3.75Å; L43-L118 HydrophobicContact CG-CD2 4.01Å; L43-S121 WeakPolarHBondContact O-CB 3.33Å; L43-S121 PolarHBondContact O-OG 2.87Å; L43-A134 HydrophobicContact CB-CB 4.25Å; L43-A134 HydrophobicContact CD1-CB 4.36Å; L43-W135 HydrophobicContact CD1-CD2 4.36Å; L43-W135 HydrophobicContact CD1-CZ2 4.28Å; L43-I138 HydrophobicContact CD1-CD1 3.88Å; L43-I138 HydrophobicContact CD2-CD1 3.84Å; L43-I138 HydrophobicContact CG-CD1 4.35Å |
| 44 | F | 82.6 | Confident | 83.5 | Confident | 37 Ų | 37 | 67.5 Ų | 67.5 | 16% | 0.162 | 36% | 0.36 | C | S | . | . | trans | -110 | 106.5 | 178.6 | -60.5 | -76.9 | 0 | 0 | 0 | 109.5 | V42 N46 L47 L50 V114 L118 | V42-F44 VanDerWaalsContact CG1-O 3.23Å; V42-F44 WeakPolarHBondContact CG1-O 3.39Å; F44-N46 PolarHBondContact O-N 3.35Å; F44-N46 VanDerWaalsContact O-N 3.16Å; F44-L47 HydrophobicContact CB-CB 4Å; F44-L47 HydrophobicContact CB-CD1 4.46Å; F44-L47 CarbonylContact O-C 3.58Å; F44-L47 WeakPolarHBondContact O-CA 3.43Å; F44-L47 PolarHBondContact O-N 3.49Å; F44-L50 HydrophobicContact CD2-CD1 4.43Å; F44-V114 HydrophobicContact CZ-CG1 4.42Å; F44-L118 HydrophobicContact CE1-CD2 3.94Å; F44-L118 HydrophobicContact CE1-CG 4.07Å; F44-L118 HydrophobicContact CZ-CD2 3.73Å; F44-L118 HydrophobicContact CZ-CG 4.06Å | ||
| 45 | H | 78.1 | Confident | 83.6 | Confident | 95 Ų | 95 | 70.4 Ų | 70.4 | 44% | 0.44 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | -33 | -178.9 | -174.5 | 101.8 | 0 | 0 | 0 | 112.9 | L47 R124 D128 | H45-L47 PolarHBondContact O-N 2.92Å; H45-R124 PolarHBondContact CD2-NH1 3.11Å; H45-R124 PolarHBondContact NE2-NH1 2.79Å; H45-D128 IonicContact CE1-OD2 3.71Å; H45-D128 IonicContact ND1-OD2 2.94Å; H45-D128 PolarHBondContact ND1-OD2 2.94Å |
| 46 | N | 78.2 | Confident | 83.9 | Confident | 121 Ų | 121 | 69.9 Ų | 69.9 | 65% | 0.647 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75 | -10.5 | 177 | -61 | -19.6 | 0 | 0 | 0 | 113.2 | F44 | F44-N46 PolarHBondContact O-N 3.35Å; F44-N46 VanDerWaalsContact O-N 3.16Å |
| 47 | L | 82.8 | Confident | 84.3 | Confident | 70 Ų | 70 | 64.6 Ų | 64.6 | 37% | 0.366 | 35% | 0.347 | S | S | . | . | trans | -130.9 | 66.3 | 179.3 | -62.5 | 170.2 | 0 | 0 | 0 | 109.7 | F44 H45 S49 L50 | F44-L47 HydrophobicContact CB-CB 4Å; F44-L47 HydrophobicContact CB-CD1 4.46Å; F44-L47 CarbonylContact O-C 3.58Å; F44-L47 WeakPolarHBondContact O-CA 3.43Å; F44-L47 PolarHBondContact O-N 3.49Å; H45-L47 PolarHBondContact O-N 2.92Å; L47-S49 PolarHBondContact O-N 3.32Å; L47-S49 VanDerWaalsContact O-N 3.1Å; L47-L50 HydrophobicContact CB-CB 4.05Å; L47-L50 HydrophobicContact CD1-CD1 4.01Å; L47-L50 WeakPolarHBondContact O-CB 2.99Å; L47-L50 PolarHBondContact O-N 3.35Å | ||
| 48 | P | 80.7 | Confident | 85 | Confident | 84 Ų | 84 | 63.2 Ų | 63.2 | 55% | 0.545 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -18.3 | -177.2 | 28.1 | -35.5 | 0 | 0 | 0 | 113.3 | V42 L50 | V42-P48 HydrophobicContact CG1-CB 4.43Å; P48-L50 VanDerWaalsContact C-N 3.31Å |
| 49 | S | 79.8 | Confident | 86 | Confident | 77 Ų | 77 | 63.7 Ų | 63.7 | 54% | 0.538 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -16.5 | 174 | 53.3 | 0 | 0 | 0 | 0 | 113.5 | L47 T51 N54 | L47-S49 PolarHBondContact O-N 3.32Å; L47-S49 VanDerWaalsContact O-N 3.1Å; S49-T51 PolarHBondContact O-N 3.44Å; S49-N54 WeakPolarHBondContact O-CB 3.25Å; S49-N54 PolarHBondContact O-ND2 3.4Å |
| 50 | L | 82.8 | Confident | 87.1 | Confident | 87 Ų | 87 | 57.5 Ų | 57.5 | 46% | 0.455 | 31% | 0.314 | S | S | . | . | trans | -85.5 | 61.1 | -176.2 | -152 | 163.7 | 0 | 0 | 0 | 110.8 | F44 L47 P48 | F44-L50 HydrophobicContact CD2-CD1 4.43Å; L47-L50 HydrophobicContact CB-CB 4.05Å; L47-L50 HydrophobicContact CD1-CD1 4.01Å; L47-L50 WeakPolarHBondContact O-CB 2.99Å; L47-L50 PolarHBondContact O-N 3.35Å; P48-L50 VanDerWaalsContact C-N 3.31Å | ||
| 51 | T | 87.8 | Confident | 88.2 | Confident | 24 Ų | 24 | 55.8 Ų | 55.8 | 15% | 0.147 | 31% | 0.312 | C | S | . | . | trans | -106.7 | 154.3 | 172 | 68.3 | 0 | 0 | 0 | 0 | 110 | V42 S49 G53 N54 V55 | V42-T51 HydrophobicContact CG2-CG2 4.16Å; S49-T51 PolarHBondContact O-N 3.44Å; T51-G53 VanDerWaalsContact C-N 3.29Å; T51-G53 PolarHBondContact O-N 2.89Å; T51-N54 PolarHBondContact O-N 3.32Å; T51-N54 WeakPolarHBondContact OG1-CB 3.49Å; T51-N54 PolarHBondContact OG1-N 2.9Å; T51-N54 PolarHBondContact OG1-ND2 3.24Å; T51-N54 VanDerWaalsContact OG1-ND2 3.14Å; T51-V55 WeakPolarHBondContact O-CG2 3.44Å; T51-V55 PolarHBondContact O-N 2.95Å; T51-V55 VanDerWaalsContact O-N 3.11Å | ||
| 52 | L | 87.8 | Confident | 89 | Confident | 89 Ų | 89 | 59.3 Ų | 59.3 | 47% | 0.466 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -55.5 | -46.9 | 178 | -172.1 | 67.3 | 0 | 0 | 0 | 111.1 | L34 F40 N54 V55 F56 | L34-L52 HydrophobicContact CD1-CD2 4.01Å; L34-L52 HydrophobicContact CD1-CG 4.08Å; F40-L52 HydrophobicContact CE2-CD2 4.38Å; L52-N54 PolarHBondContact O-N 2.94Å; L52-V55 PolarHBondContact O-N 3.41Å; L52-F56 HydrophobicContact CD1-CD2 4.24Å; L52-F56 HydrophobicContact CD1-CE2 3.8Å; L52-F56 HydrophobicContact CG-CD2 4.24Å; L52-F56 HydrophobicContact CG-CE2 4.08Å; L52-F56 WeakPolarHBondContact O-CD2 3.49Å; L52-F56 PolarHBondContact O-N 3.38Å |
| 53 | G | 91.4 | Very high | 89.5 | Confident | 3 Ų | 3 | 60.7 Ų | 60.7 | 3% | 0.031 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -58.5 | -44.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | T51 V55 F56 V57 | T51-G53 VanDerWaalsContact C-N 3.29Å; T51-G53 PolarHBondContact O-N 2.89Å; G53-V55 PolarHBondContact O-N 2.94Å; G53-F56 PolarHBondContact O-N 3.46Å; G53-V57 WeakPolarHBondContact O-CG2 3.29Å; G53-V57 PolarHBondContact O-N 3.44Å |
| 54 | N | 92.9 | Very high | 90.1 | Very high | 44 Ų | 44 | 61.1 Ų | 61.1 | 24% | 0.235 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -64.2 | -38.5 | 178.9 | -75.3 | -18.5 | 0 | 0 | 0 | 112.4 | L35 S49 T51 L52 V57 I58 | L35-N54 WeakPolarHBondContact CD1-OD1 3.43Å; L35-N54 WeakPolarHBondContact CD2-OD1 3.47Å; S49-N54 WeakPolarHBondContact O-CB 3.25Å; S49-N54 PolarHBondContact O-ND2 3.4Å; T51-N54 PolarHBondContact O-N 3.32Å; T51-N54 WeakPolarHBondContact OG1-CB 3.49Å; T51-N54 PolarHBondContact OG1-N 2.9Å; T51-N54 PolarHBondContact OG1-ND2 3.24Å; T51-N54 VanDerWaalsContact OG1-ND2 3.14Å; L52-N54 PolarHBondContact O-N 2.94Å; N54-V57 PolarHBondContact O-N 2.75Å; N54-I58 WeakPolarHBondContact O-CB 3.43Å; N54-I58 VanDerWaalsContact O-CG1 3.25Å; N54-I58 WeakPolarHBondContact O-CG1 3.24Å; N54-I58 PolarHBondContact O-N 3.29Å |
| 55 | V | 93.4 | Very high | 90.9 | Very high | 68 Ų | 68 | 63 Ų | 63 | 41% | 0.412 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -60.8 | -46.6 | 176.1 | 173.9 | 0 | 0 | 0 | 0 | 110.7 | T51 L52 G53 V57 I58 V59 | T51-V55 WeakPolarHBondContact O-CG2 3.44Å; T51-V55 PolarHBondContact O-N 2.95Å; T51-V55 VanDerWaalsContact O-N 3.11Å; L52-V55 PolarHBondContact O-N 3.41Å; G53-V55 PolarHBondContact O-N 2.94Å; V55-V57 PolarHBondContact O-N 3.48Å; V55-I58 PolarHBondContact O-N 2.87Å; V55-V59 HydrophobicContact CG1-CG2 4.4Å; V55-V59 WeakPolarHBondContact O-CB 2.97Å; V55-V59 WeakPolarHBondContact O-CG2 3.4Å; V55-V59 PolarHBondContact O-N 2.99Å |
| 56 | F | 95.6 | Very high | 91.8 | Very high | 68 Ų | 68 | 59.1 Ų | 59.1 | 30% | 0.298 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62.8 | -40.6 | 176.1 | -84.6 | -101 | 0 | 0 | 0 | 112.2 | I27 F30 L34 L52 G53 G60 | I27-F56 HydrophobicContact CG2-CB 4.48Å; I27-F56 HydrophobicContact CG2-CD1 3.87Å; I27-F56 WeakPolarHBondContact CG2-O 3.31Å; F30-F56 AromaticContact CD1-CD1 3.72Å; F30-F56 HydrophobicContact CD1-CD1 3.72Å; F30-F56 AromaticContact CD1-CE1 3.73Å; F30-F56 HydrophobicContact CD1-CE1 3.73Å; F30-F56 HydrophobicContact CD1-CG 4.34Å; F30-F56 HydrophobicContact CD1-CZ 4.35Å; F30-F56 HydrophobicContact CE1-CD1 4.38Å; F30-F56 HydrophobicContact CE1-CE1 4.05Å; F30-F56 HydrophobicContact CE1-CZ 4.22Å; L34-F56 HydrophobicContact CD1-CD2 4.48Å; L52-F56 HydrophobicContact CD1-CD2 4.24Å; L52-F56 HydrophobicContact CD1-CE2 3.8Å; L52-F56 HydrophobicContact CG-CD2 4.24Å; L52-F56 HydrophobicContact CG-CE2 4.08Å; L52-F56 WeakPolarHBondContact O-CD2 3.49Å; L52-F56 PolarHBondContact O-N 3.38Å; G53-F56 PolarHBondContact O-N 3.46Å; F56-G60 WeakPolarHBondContact O-CA 3.28Å; F56-G60 PolarHBondContact O-N 3.26Å |
| 57 | V | 96.6 | Very high | 92.7 | Very high | 32 Ų | 32 | 53.5 Ų | 53.5 | 19% | 0.194 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.9 | -45.9 | 176.4 | 168.9 | 0 | 0 | 0 | 0 | 111.7 | L28 I32 L35 G53 N54 V55 S61 | L28-V57 HydrophobicContact CD1-CB 4.14Å; L28-V57 HydrophobicContact CD1-CG1 3.79Å; L28-V57 HydrophobicContact CD1-CG2 4.22Å; I32-V57 HydrophobicContact CG1-CG2 4.07Å; L35-V57 HydrophobicContact CD1-CG2 3.75Å; G53-V57 WeakPolarHBondContact O-CG2 3.29Å; G53-V57 PolarHBondContact O-N 3.44Å; N54-V57 PolarHBondContact O-N 2.75Å; V55-V57 PolarHBondContact O-N 3.48Å; V57-S61 WeakPolarHBondContact O-CB 3.37Å; V57-S61 PolarHBondContact O-N 3.23Å; V57-S61 PolarHBondContact O-OG 3.48Å |
| 58 | I | 96.3 | Very high | 93.4 | Very high | 96 Ų | 96 | 54.6 Ų | 54.6 | 49% | 0.492 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65.1 | -52 | -179.4 | -67.8 | 165 | 0 | 0 | 0 | 110.3 | N54 V55 G60 S61 I62 | N54-I58 WeakPolarHBondContact O-CB 3.43Å; N54-I58 VanDerWaalsContact O-CG1 3.25Å; N54-I58 WeakPolarHBondContact O-CG1 3.24Å; N54-I58 PolarHBondContact O-N 3.29Å; V55-I58 PolarHBondContact O-N 2.87Å; I58-G60 PolarHBondContact O-N 3.38Å; I58-S61 PolarHBondContact O-N 3.28Å; I58-I62 HydrophobicContact CG2-CD1 3.91Å; I58-I62 WeakPolarHBondContact O-CG1 3.11Å; I58-I62 PolarHBondContact O-N 3.18Å |
| 59 | V | 96.9 | Very high | 94.2 | Very high | 67 Ų | 67 | 51.8 Ų | 51.8 | 41% | 0.406 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -62.4 | -46.6 | -179.3 | 172.4 | 0 | 0 | 0 | 0 | 110.8 | V55 S61 I62 I63 | V55-V59 HydrophobicContact CG1-CG2 4.4Å; V55-V59 WeakPolarHBondContact O-CB 2.97Å; V55-V59 WeakPolarHBondContact O-CG2 3.4Å; V55-V59 PolarHBondContact O-N 2.99Å; V59-S61 VanDerWaalsContact C-N 3.33Å; V59-S61 PolarHBondContact O-N 3.4Å; V59-I62 PolarHBondContact O-N 2.95Å; V59-I63 HydrophobicContact CG1-CD1 3.73Å; V59-I63 HydrophobicContact CG1-CG1 4.43Å; V59-I63 VanDerWaalsContact O-CG1 3.32Å; V59-I63 WeakPolarHBondContact O-CG1 3.25Å; V59-I63 PolarHBondContact O-N 2.95Å |
| 60 | G | 97.8 | Very high | 95 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.2 | -41.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | F56 I58 M64 | F56-G60 WeakPolarHBondContact O-CA 3.28Å; F56-G60 PolarHBondContact O-N 3.26Å; I58-G60 PolarHBondContact O-N 3.38Å; G60-M64 WeakPolarHBondContact O-CB 3.29Å; G60-M64 PolarHBondContact O-N 3.27Å |
| 61 | S | 98.1 | Very high | 95.6 | Very high | 40 Ų | 40 | 44.3 Ų | 44.3 | 28% | 0.28 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -65.4 | -42.5 | 177.1 | -61 | 0 | 0 | 0 | 0 | 112.5 | L28 V57 I58 V59 M64 V65 | L28-S61 WeakPolarHBondContact CD1-OG 3.44Å; V57-S61 WeakPolarHBondContact O-CB 3.37Å; V57-S61 PolarHBondContact O-N 3.23Å; V57-S61 PolarHBondContact O-OG 3.48Å; I58-S61 PolarHBondContact O-N 3.28Å; V59-S61 VanDerWaalsContact C-N 3.33Å; V59-S61 PolarHBondContact O-N 3.4Å; S61-M64 PolarHBondContact O-N 3.43Å; S61-V65 WeakPolarHBondContact O-CG2 3.47Å; S61-V65 PolarHBondContact O-N 2.95Å |
| 62 | I | 97.7 | Very high | 96 | Very high | 82 Ų | 82 | 46 Ų | 46 | 42% | 0.421 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -62.9 | -50.8 | 177.4 | -68.6 | 167.7 | 0 | 0 | 0 | 110.1 | I58 V59 M64 V65 V66 I92 | I58-I62 HydrophobicContact CG2-CD1 3.91Å; I58-I62 WeakPolarHBondContact O-CG1 3.11Å; I58-I62 PolarHBondContact O-N 3.18Å; V59-I62 PolarHBondContact O-N 2.95Å; I62-M64 VanDerWaalsContact C-N 3.28Å; I62-M64 PolarHBondContact O-N 2.92Å; I62-V65 PolarHBondContact O-N 2.95Å; I62-V66 HydrophobicContact CG2-CG2 4.32Å; I62-V66 WeakPolarHBondContact O-CB 3.32Å; I62-V66 VanDerWaalsContact O-CG2 3.32Å; I62-V66 WeakPolarHBondContact O-CG2 3.44Å; I62-V66 PolarHBondContact O-N 3.33Å; I62-I92 HydrophobicContact CG2-CD1 3.77Å |
| 63 | I | 97.9 | Very high | 96.3 | Very high | 57 Ų | 57 | 41.8 Ų | 41.8 | 29% | 0.292 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -56.8 | -46.3 | 178.4 | -67.8 | 168.8 | 0 | 0 | 0 | 110.2 | F20 I27 V59 A67 | F20-I63 HydrophobicContact CB-CG2 4.42Å; F20-I63 WeakPolarHBondContact O-CG2 3.35Å; I27-I63 HydrophobicContact CD1-CD1 4.05Å; V59-I63 HydrophobicContact CG1-CD1 3.73Å; V59-I63 HydrophobicContact CG1-CG1 4.43Å; V59-I63 VanDerWaalsContact O-CG1 3.32Å; V59-I63 WeakPolarHBondContact O-CG1 3.25Å; V59-I63 PolarHBondContact O-N 2.95Å; I63-A67 WeakPolarHBondContact O-CB 3.48Å; I63-A67 PolarHBondContact O-N 3.05Å |
| 64 | M | 97.9 | Very high | 96.4 | Very high | 43 Ų | 43 | 41.6 Ų | 41.6 | 21% | 0.212 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -57.6 | -59.5 | 177.4 | -174.6 | 176.8 | 75.9 | 0 | 0 | 110 | W21 L28 G60 S61 I62 V66 A67 F68 | W21-M64 HydrophobicContact CD2-CG 4.05Å; W21-M64 HydrophobicContact CE3-CB 4.23Å; W21-M64 HydrophobicContact CE3-CG 3.49Å; W21-M64 VanDerWaalsContact CE3-CG 3.49Å; W21-M64 HydrophobicContact CH2-CG 3.3Å; W21-M64 HydrophobicContact CH2-SD 3.97Å; W21-M64 HydrophobicContact CZ2-CG 3.89Å; W21-M64 HydrophobicContact CZ2-SD 4.27Å; W21-M64 VanDerWaalsContact CZ3-C 3.4Å; W21-M64 HydrophobicContact CZ3-CB 3.99Å; W21-M64 HydrophobicContact CZ3-CG 3.01Å; W21-M64 WeakPolarHBondContact CZ3-O 3.16Å; W21-M64 HydrophobicContact CZ3-SD 4.27Å; L28-M64 HydrophobicContact CD2-CE 3.75Å; L28-M64 HydrophobicContact CD2-SD 3.83Å; G60-M64 WeakPolarHBondContact O-CB 3.29Å; G60-M64 PolarHBondContact O-N 3.27Å; S61-M64 PolarHBondContact O-N 3.43Å; I62-M64 VanDerWaalsContact C-N 3.28Å; I62-M64 PolarHBondContact O-N 2.92Å; M64-V66 VanDerWaalsContact C-N 3.35Å; M64-V66 PolarHBondContact O-N 3.35Å; M64-A67 PolarHBondContact O-N 3.06Å; M64-A67 VanDerWaalsContact O-N 3.15Å; M64-F68 PolarHBondContact O-N 3.48Å |
| 65 | V | 97.9 | Very high | 96.3 | Very high | 75 Ų | 75 | 42.4 Ų | 42.4 | 46% | 0.455 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -57 | -45 | -177.9 | 172.5 | 0 | 0 | 0 | 0 | 112.7 | S61 I62 F68 L69 | S61-V65 WeakPolarHBondContact O-CG2 3.47Å; S61-V65 PolarHBondContact O-N 2.95Å; I62-V65 PolarHBondContact O-N 2.95Å; V65-F68 WeakPolarHBondContact O-CB 3.35Å; V65-F68 PolarHBondContact O-N 3.38Å; V65-L69 HydrophobicContact CG1-CD1 4.2Å; V65-L69 WeakPolarHBondContact O-CG 3.5Å; V65-L69 PolarHBondContact O-N 3.44Å; V65-L69 VanDerWaalsContact O-N 3.17Å |
| 66 | V | 97.9 | Very high | 96.2 | Very high | 15 Ų | 15 | 46.5 Ų | 46.5 | 9% | 0.091 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.1 | -48.9 | 178 | 170.7 | 0 | 0 | 0 | 0 | 110.4 | I62 M64 F68 L69 G70 F85 L88 L89 I92 | I62-V66 HydrophobicContact CG2-CG2 4.32Å; I62-V66 WeakPolarHBondContact O-CB 3.32Å; I62-V66 VanDerWaalsContact O-CG2 3.32Å; I62-V66 WeakPolarHBondContact O-CG2 3.44Å; I62-V66 PolarHBondContact O-N 3.33Å; M64-V66 VanDerWaalsContact C-N 3.35Å; M64-V66 PolarHBondContact O-N 3.35Å; V66-F68 VanDerWaalsContact C-N 3.3Å; V66-F68 PolarHBondContact O-N 2.91Å; V66-L69 PolarHBondContact O-N 2.93Å; V66-G70 PolarHBondContact O-N 3.4Å; V66-F85 HydrophobicContact CG1-CD2 3.82Å; V66-F85 HydrophobicContact CG1-CE2 3.61Å; V66-F85 WeakPolarHBondContact O-CD2 3.19Å; V66-L88 HydrophobicContact CG2-CB 4.32Å; V66-L89 HydrophobicContact CG1-CD2 3.7Å; V66-L89 HydrophobicContact CG1-CG 4.14Å; V66-I92 HydrophobicContact CG2-CD1 3.81Å |
| 67 | A | 97.8 | Very high | 96 | Very high | 2 Ų | 2 | 46.9 Ų | 46.9 | 2% | 0.017 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.3 | -34.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | N17 F20 W21 I63 M64 G70 C71 | N17-A67 WeakPolarHBondContact O-CB 3.2Å; F20-A67 HydrophobicContact CB-CB 4.1Å; W21-A67 HydrophobicContact CB-CB 3.85Å; W21-A67 HydrophobicContact CE3-CB 4.3Å; I63-A67 WeakPolarHBondContact O-CB 3.48Å; I63-A67 PolarHBondContact O-N 3.05Å; M64-A67 PolarHBondContact O-N 3.06Å; M64-A67 VanDerWaalsContact O-N 3.15Å; A67-G70 PolarHBondContact O-N 3.24Å; A67-C71 WeakPolarHBondContact O-CB 3.44Å; A67-C71 PolarHBondContact O-N 3.45Å; A67-C71 PolarHBondContact O-SG 2.91Å; A67-C71 VanDerWaalsContact O-SG 3.41Å |
| 68 | F | 97 | Very high | 95.8 | Very high | 93 Ų | 93 | 48.6 Ų | 48.6 | 41% | 0.408 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -59.9 | -49.2 | 173.9 | -170.6 | -115.7 | 0 | 0 | 0 | 112.1 | W21 M64 V65 V66 G70 C71 M72 | W21-F68 HydrophobicContact CE3-CB 3.78Å; W21-F68 HydrophobicContact CE3-CD2 4.44Å; W21-F68 HydrophobicContact CH2-CB 4.11Å; W21-F68 AromaticContact CH2-CD2 3.89Å; W21-F68 HydrophobicContact CH2-CD2 3.89Å; W21-F68 HydrophobicContact CH2-CG 4.26Å; W21-F68 HydrophobicContact CZ2-CD2 4.43Å; W21-F68 HydrophobicContact CZ3-CB 3.35Å; W21-F68 AromaticContact CZ3-CD2 3.94Å; W21-F68 HydrophobicContact CZ3-CD2 3.94Å; W21-F68 AromaticContact CZ3-CG 3.99Å; W21-F68 HydrophobicContact CZ3-CG 3.99Å; M64-F68 PolarHBondContact O-N 3.48Å; V65-F68 WeakPolarHBondContact O-CB 3.35Å; V65-F68 PolarHBondContact O-N 3.38Å; V66-F68 VanDerWaalsContact C-N 3.3Å; V66-F68 PolarHBondContact O-N 2.91Å; F68-G70 VanDerWaalsContact C-N 3.29Å; F68-G70 PolarHBondContact O-N 3.37Å; F68-C71 PolarHBondContact O-N 3.16Å; F68-M72 HydrophobicContact CD1-CG 4.25Å; F68-M72 HydrophobicContact CD2-CG 4.07Å; F68-M72 HydrophobicContact CE1-CG 3.9Å; F68-M72 HydrophobicContact CE2-CE 4.49Å; F68-M72 HydrophobicContact CE2-CG 3.69Å; F68-M72 HydrophobicContact CE2-SD 4.37Å; F68-M72 HydrophobicContact CG-CG 4.33Å; F68-M72 HydrophobicContact CZ-CG 3.6Å; F68-M72 HydrophobicContact CZ-SD 4.42Å; F68-M72 WeakPolarHBondContact O-CB 3.35Å; F68-M72 WeakPolarHBondContact O-CG 3.23Å; F68-M72 PolarHBondContact O-N 3.45Å |
| 69 | L | 97 | Very high | 95.5 | Very high | 25 Ų | 25 | 46.9 Ų | 46.9 | 13% | 0.131 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.9 | -39.1 | -177.8 | -66.3 | 171.3 | 0 | 0 | 0 | 110.2 | V65 V66 G73 L81 F85 L88 | V65-L69 HydrophobicContact CG1-CD1 4.2Å; V65-L69 WeakPolarHBondContact O-CG 3.5Å; V65-L69 PolarHBondContact O-N 3.44Å; V65-L69 VanDerWaalsContact O-N 3.17Å; V66-L69 PolarHBondContact O-N 2.93Å; L69-G73 VanDerWaalsContact O-CA 3.31Å; L69-G73 WeakPolarHBondContact O-CA 3.43Å; L69-G73 PolarHBondContact O-N 3.19Å; L69-L81 HydrophobicContact CD2-CD2 3.81Å; L69-F85 HydrophobicContact CB-CB 4.01Å; L69-L88 HydrophobicContact CD1-CD1 3.34Å |
| 70 | G | 96.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.2 | -49.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L13 V66 A67 F68 S74 | L13-G70 VanDerWaalsContact CD2-O 3.25Å; L13-G70 WeakPolarHBondContact CD2-O 3.25Å; V66-G70 PolarHBondContact O-N 3.4Å; A67-G70 PolarHBondContact O-N 3.24Å; F68-G70 VanDerWaalsContact C-N 3.29Å; F68-G70 PolarHBondContact O-N 3.37Å; G70-S74 WeakPolarHBondContact O-CB 3.39Å; G70-S74 PolarHBondContact O-N 3.43Å; G70-S74 PolarHBondContact O-OG 3.48Å; G70-S74 VanDerWaalsContact O-OG 3.06Å |
| 71 | C | 95.8 | Very high | 95.3 | Very high | 8 Ų | 8 | 50.3 Ų | 50.3 | 5% | 0.054 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.9 | -52.2 | 178.2 | -80 | 0 | 0 | 0 | 0 | 113 | F14 N17 L18 A67 F68 S74 I75 | F14-C71 HydrophobicContact CD2-CB 4.13Å; F14-C71 HydrophobicContact CE2-CB 4.18Å; N17-C71 WeakPolarHBondContact CB-SG 3.37Å; L18-C71 PolarHBondContact N-SG 3.48Å; A67-C71 WeakPolarHBondContact O-CB 3.44Å; A67-C71 PolarHBondContact O-N 3.45Å; A67-C71 PolarHBondContact O-SG 2.91Å; A67-C71 VanDerWaalsContact O-SG 3.41Å; F68-C71 PolarHBondContact O-N 3.16Å; C71-S74 PolarHBondContact O-OG 2.91Å; C71-S74 VanDerWaalsContact O-OG 3.14Å; C71-I75 WeakPolarHBondContact O-CB 3.28Å; C71-I75 VanDerWaalsContact O-CG2 3.29Å; C71-I75 WeakPolarHBondContact O-CG2 3.42Å; C71-I75 PolarHBondContact O-N 3.21Å |
| 72 | M | 95.3 | Very high | 95.1 | Very high | 59 Ų | 59 | 48.4 Ų | 48.4 | 29% | 0.291 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -68.9 | -39.9 | -178.8 | -69.9 | -59.5 | 111.4 | 0 | 0 | 111.2 | F68 I75 K76 L81 | F68-M72 HydrophobicContact CD1-CG 4.25Å; F68-M72 HydrophobicContact CD2-CG 4.07Å; F68-M72 HydrophobicContact CE1-CG 3.9Å; F68-M72 HydrophobicContact CE2-CE 4.49Å; F68-M72 HydrophobicContact CE2-CG 3.69Å; F68-M72 HydrophobicContact CE2-SD 4.37Å; F68-M72 HydrophobicContact CG-CG 4.33Å; F68-M72 HydrophobicContact CZ-CG 3.6Å; F68-M72 HydrophobicContact CZ-SD 4.42Å; F68-M72 WeakPolarHBondContact O-CB 3.35Å; F68-M72 WeakPolarHBondContact O-CG 3.23Å; F68-M72 PolarHBondContact O-N 3.45Å; M72-I75 HydrophobicContact CE-CG2 4.37Å; M72-K76 WeakPolarHBondContact O-CB 3.33Å; M72-K76 WeakPolarHBondContact O-CG 3.28Å; M72-K76 PolarHBondContact O-N 3.28Å; M72-L81 HydrophobicContact CB-CD1 3.87Å |
| 73 | G | 94.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.4 | -44.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L69 E77 N78 | L69-G73 VanDerWaalsContact O-CA 3.31Å; L69-G73 WeakPolarHBondContact O-CA 3.43Å; L69-G73 PolarHBondContact O-N 3.19Å; G73-E77 WeakPolarHBondContact O-CA 3.4Å; G73-E77 PolarHBondContact O-N 2.9Å; G73-E77 VanDerWaalsContact O-N 3.11Å; G73-N78 PolarHBondContact O-N 3.18Å |
| 74 | S | 93.1 | Very high | 95 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -72.5 | -47.1 | 179 | 65.3 | 0 | 0 | 0 | 0 | 112.7 | K10 G70 C71 E77 | K10-S74 VanDerWaalsContact CE-O 3.28Å; K10-S74 WeakPolarHBondContact CE-O 3.48Å; K10-S74 WeakPolarHBondContact CG-O 3.41Å; G70-S74 WeakPolarHBondContact O-CB 3.39Å; G70-S74 PolarHBondContact O-N 3.43Å; G70-S74 PolarHBondContact O-OG 3.48Å; G70-S74 VanDerWaalsContact O-OG 3.06Å; C71-S74 PolarHBondContact O-OG 2.91Å; C71-S74 VanDerWaalsContact O-OG 3.14Å; S74-E77 PolarHBondContact O-N 3.46Å |
| 75 | I | 92.3 | Very high | 95 | Very high | 60 Ų | 60 | 45.5 Ų | 45.5 | 31% | 0.308 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -70.2 | -40 | -174.5 | -159.4 | 66.7 | 0 | 0 | 0 | 112.5 | K10 F14 C71 M72 E77 | K10-I75 WeakPolarHBondContact CE-O 3.21Å; K10-I75 PolarHBondContact NZ-O 3.47Å; K10-I75 VanDerWaalsContact NZ-O 3.12Å; F14-I75 HydrophobicContact CD2-CB 4.11Å; F14-I75 HydrophobicContact CE2-CB 4.31Å; C71-I75 WeakPolarHBondContact O-CB 3.28Å; C71-I75 VanDerWaalsContact O-CG2 3.29Å; C71-I75 WeakPolarHBondContact O-CG2 3.42Å; C71-I75 PolarHBondContact O-N 3.21Å; M72-I75 HydrophobicContact CE-CG2 4.37Å; I75-E77 VanDerWaalsContact C-N 3.34Å |
| 76 | K | 90.9 | Very high | 95 | Very high | 155 Ų | 155 | 43.8 Ų | 43.8 | 67% | 0.674 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -85.6 | -5.9 | 178.8 | -61.7 | -65.9 | -172.4 | 176.1 | 0 | 113.2 | M72 N78 | M72-K76 WeakPolarHBondContact O-CB 3.33Å; M72-K76 WeakPolarHBondContact O-CG 3.28Å; M72-K76 PolarHBondContact O-N 3.28Å; K76-N78 HydrophobicContact CB-CB 4.28Å; K76-N78 PolarHBondContact O-N 2.87Å; K76-N78 VanDerWaalsContact O-N 3.17Å |
| 77 | E | 90.3 | Very high | 95 | Very high | 76 Ų | 76 | 47 Ų | 47 | 36% | 0.355 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.7 | 37 | -175.1 | -65.8 | 171.9 | -166.6 | 0 | 0 | 111.9 | K10 G73 S74 I75 K79 I210 | K10-E77 HydrophobicContact CD-CG 4.46Å; K10-E77 WeakPolarHBondContact CD-OE1 3.22Å; K10-E77 IonicContact NZ-OE1 3.96Å; K10-E77 PolarHBondContact NZ-OE1 3.4Å; G73-E77 WeakPolarHBondContact O-CA 3.4Å; G73-E77 PolarHBondContact O-N 2.9Å; G73-E77 VanDerWaalsContact O-N 3.11Å; S74-E77 PolarHBondContact O-N 3.46Å; I75-E77 VanDerWaalsContact C-N 3.34Å; E77-K79 PolarHBondContact O-N 3.34Å; E77-I210 HydrophobicContact CB-CD1 3.81Å; E77-I210 HydrophobicContact CB-CG1 4.2Å; E77-I210 HydrophobicContact CG-CD1 4.27Å |
| 78 | N | 92.3 | Very high | 95 | Very high | 67 Ų | 67 | 49.9 Ų | 49.9 | 36% | 0.358 | 25% | 0.254 | S | S | . | . | trans | -89.2 | 108.5 | -177 | -175.5 | -30.1 | 0 | 0 | 0 | 110 | G73 K76 C80 L81 L82 | G73-N78 PolarHBondContact O-N 3.18Å; K76-N78 HydrophobicContact CB-CB 4.28Å; K76-N78 PolarHBondContact O-N 2.87Å; K76-N78 VanDerWaalsContact O-N 3.17Å; N78-C80 VanDerWaalsContact C-N 3.3Å; N78-C80 PolarHBondContact O-N 3.49Å; N78-C80 WeakPolarHBondContact OD1-CB 3.38Å; N78-C80 PolarHBondContact OD1-N 2.97Å; N78-L81 HydrophobicContact CB-CB 4.18Å; N78-L81 HydrophobicContact CB-CD1 3.97Å; N78-L81 HydrophobicContact CB-CG 4.08Å; N78-L81 PolarHBondContact O-N 2.86Å; N78-L81 VanDerWaalsContact O-N 3.15Å; N78-L81 PolarHBondContact OD1-N 2.83Å; N78-L82 PolarHBondContact O-N 2.83Å | ||
| 79 | K | 92 | Very high | 95 | Very high | 60 Ų | 60 | 46 Ų | 46 | 26% | 0.261 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -55.1 | -41.5 | -179.6 | -60.9 | -170.3 | -174.9 | 162.9 | 0 | 113 | E77 L81 L82 M83 N207 I210 D211 S214 | E77-K79 PolarHBondContact O-N 3.34Å; K79-L81 PolarHBondContact O-N 3.47Å; K79-L82 PolarHBondContact O-N 3.13Å; K79-M83 WeakPolarHBondContact O-CB 3.32Å; K79-M83 WeakPolarHBondContact O-CG 3.45Å; K79-M83 PolarHBondContact O-N 3.34Å; K79-N207 VanDerWaalsContact CB-OD1 3.25Å; K79-N207 WeakPolarHBondContact CB-OD1 3.5Å; K79-N207 WeakPolarHBondContact CG-OD1 3.24Å; K79-I210 HydrophobicContact CD-CG2 4.35Å; K79-I210 VanDerWaalsContact CE-CG2 3.48Å; K79-I210 HydrophobicContact CG-CB 4.44Å; K79-I210 HydrophobicContact CG-CG2 3.95Å; K79-D211 VanDerWaalsContact NZ-CA 3.31Å; K79-D211 IonicContact NZ-OD1 3.08Å; K79-D211 PolarHBondContact NZ-OD1 3.01Å; K79-S214 PolarHBondContact NZ-OG 2.91Å |
| 80 | C | 93.9 | Very high | 95.1 | Very high | 92 Ų | 92 | 48 Ų | 48 | 62% | 0.622 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -65.1 | -39.8 | -179.5 | -62.6 | 0 | 0 | 0 | 0 | 111.7 | N78 S84 | N78-C80 VanDerWaalsContact C-N 3.3Å; N78-C80 PolarHBondContact O-N 3.49Å; N78-C80 WeakPolarHBondContact OD1-CB 3.38Å; N78-C80 PolarHBondContact OD1-N 2.97Å; C80-S84 WeakPolarHBondContact O-CB 3.4Å; C80-S84 PolarHBondContact O-N 3.02Å; C80-S84 PolarHBondContact O-OG 3.07Å |
| 81 | L | 95.6 | Very high | 95.2 | Very high | 47 Ų | 47 | 52.7 Ų | 52.7 | 25% | 0.246 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -69.8 | -41.7 | 176.5 | -65.7 | -179.8 | 0 | 0 | 0 | 111.9 | L69 M72 N78 K79 S84 F85 | L69-L81 HydrophobicContact CD2-CD2 3.81Å; M72-L81 HydrophobicContact CB-CD1 3.87Å; N78-L81 HydrophobicContact CB-CB 4.18Å; N78-L81 HydrophobicContact CB-CD1 3.97Å; N78-L81 HydrophobicContact CB-CG 4.08Å; N78-L81 PolarHBondContact O-N 2.86Å; N78-L81 VanDerWaalsContact O-N 3.15Å; N78-L81 PolarHBondContact OD1-N 2.83Å; K79-L81 PolarHBondContact O-N 3.47Å; L81-S84 PolarHBondContact O-N 3.43Å; L81-F85 WeakPolarHBondContact O-CB 3.31Å; L81-F85 PolarHBondContact O-N 3.4Å |
| 82 | L | 94.7 | Very high | 95.3 | Very high | 1 Ų | 1 | 54.2 Ų | 54.2 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.2 | -40.2 | 175 | -73.9 | 171.3 | 0 | 0 | 0 | 112.4 | N78 K79 F85 F86 L206 N207 I210 | N78-L82 PolarHBondContact O-N 2.83Å; K79-L82 PolarHBondContact O-N 3.13Å; L82-F85 PolarHBondContact O-N 2.89Å; L82-F86 WeakPolarHBondContact O-CB 3.33Å; L82-F86 PolarHBondContact O-N 3.03Å; L82-L206 HydrophobicContact CD1-CB 4.38Å; L82-L206 HydrophobicContact CD1-CD2 3.91Å; L82-L206 HydrophobicContact CD1-CG 4.01Å; L82-L206 HydrophobicContact CD2-CD2 4.15Å; L82-N207 HydrophobicContact CD1-CB 4.49Å; L82-I210 HydrophobicContact CD1-CD1 3.59Å |
| 83 | M | 96 | Very high | 95.4 | Very high | 65 Ų | 65 | 52.9 Ų | 52.9 | 32% | 0.32 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -67.9 | -39.1 | 174.6 | -75.9 | -57.4 | -61.2 | 0 | 0 | 112.1 | K79 F86 I87 L204 N207 | K79-M83 WeakPolarHBondContact O-CB 3.32Å; K79-M83 WeakPolarHBondContact O-CG 3.45Å; K79-M83 PolarHBondContact O-N 3.34Å; M83-F86 HydrophobicContact CE-CD1 4.32Å; M83-F86 PolarHBondContact O-N 2.97Å; M83-I87 WeakPolarHBondContact O-CB 3.25Å; M83-I87 VanDerWaalsContact O-CG1 3.26Å; M83-I87 WeakPolarHBondContact O-CG1 3.37Å; M83-I87 PolarHBondContact O-N 3.12Å; M83-L204 HydrophobicContact SD-CD2 4.35Å; M83-N207 WeakPolarHBondContact CG-ND2 3.42Å; M83-N207 PolarHBondContact SD-ND2 2.95Å |
| 84 | S | 97.3 | Very high | 95.6 | Very high | 52 Ų | 52 | 57.7 Ų | 57.7 | 36% | 0.364 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -63.1 | -43.9 | 175 | -57.9 | 0 | 0 | 0 | 0 | 111.3 | C80 L81 I87 L88 | C80-S84 WeakPolarHBondContact O-CB 3.4Å; C80-S84 PolarHBondContact O-N 3.02Å; C80-S84 PolarHBondContact O-OG 3.07Å; L81-S84 PolarHBondContact O-N 3.43Å; S84-I87 PolarHBondContact O-N 2.98Å; S84-L88 WeakPolarHBondContact O-CB 3.37Å; S84-L88 WeakPolarHBondContact O-CG 3.48Å; S84-L88 PolarHBondContact O-N 2.9Å |
| 85 | F | 97.4 | Very high | 95.8 | Very high | 4 Ų | 4 | 60.4 Ų | 60.4 | 2% | 0.018 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -57.5 | -48 | 172.9 | 171.6 | -104.6 | 0 | 0 | 0 | 111.9 | N17 V66 L69 L81 L82 L88 L89 A203 | N17-F85 WeakPolarHBondContact OD1-CE2 3.3Å; V66-F85 HydrophobicContact CG1-CD2 3.82Å; V66-F85 HydrophobicContact CG1-CE2 3.61Å; V66-F85 WeakPolarHBondContact O-CD2 3.19Å; L69-F85 HydrophobicContact CB-CB 4.01Å; L81-F85 WeakPolarHBondContact O-CB 3.31Å; L81-F85 PolarHBondContact O-N 3.4Å; L82-F85 PolarHBondContact O-N 2.89Å; F85-L88 PolarHBondContact O-N 3.11Å; F85-L89 HydrophobicContact CD1-CD1 4.21Å; F85-L89 HydrophobicContact CD2-CD1 4.45Å; F85-L89 HydrophobicContact CE1-CD1 3.55Å; F85-L89 HydrophobicContact CE2-CD1 3.85Å; F85-L89 HydrophobicContact CE2-CG 4.21Å; F85-L89 HydrophobicContact CZ-CD1 3.37Å; F85-L89 HydrophobicContact CZ-CG 4.21Å; F85-L89 PolarHBondContact O-N 3Å; F85-A203 HydrophobicContact CD1-CB 3.65Å; F85-A203 HydrophobicContact CE1-CB 3.9Å |
| 86 | F | 97.6 | Very high | 95.9 | Very high | 38 Ų | 38 | 60.3 Ų | 60.3 | 17% | 0.167 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60 | -48.7 | 177 | 170.5 | -96.1 | 0 | 0 | 0 | 112.5 | L82 M83 L88 L89 L90 M200 A203 L204 | L82-F86 WeakPolarHBondContact O-CB 3.33Å; L82-F86 PolarHBondContact O-N 3.03Å; M83-F86 HydrophobicContact CE-CD1 4.32Å; M83-F86 PolarHBondContact O-N 2.97Å; F86-L88 VanDerWaalsContact C-N 3.33Å; F86-L88 PolarHBondContact O-N 3.2Å; F86-L89 PolarHBondContact O-N 2.75Å; F86-L90 HydrophobicContact CE1-CD2 4.28Å; F86-L90 HydrophobicContact CZ-CD2 4.43Å; F86-L90 WeakPolarHBondContact O-CB 3.47Å; F86-L90 PolarHBondContact O-N 3.15Å; F86-M200 HydrophobicContact CD2-CB 3.74Å; F86-M200 HydrophobicContact CD2-CG 3.75Å; F86-M200 HydrophobicContact CD2-SD 4.31Å; F86-M200 HydrophobicContact CE2-CB 3.83Å; F86-M200 HydrophobicContact CE2-CG 3.97Å; F86-M200 HydrophobicContact CE2-SD 4.04Å; F86-A203 HydrophobicContact CB-CB 4.46Å; F86-L204 HydrophobicContact CD1-CD2 4.3Å; F86-L204 HydrophobicContact CD2-CD1 3.96Å; F86-L204 HydrophobicContact CD2-CD2 3.99Å; F86-L204 HydrophobicContact CD2-CG 3.65Å; F86-L204 HydrophobicContact CE1-CD2 4.39Å; F86-L204 HydrophobicContact CE2-CD1 3.42Å; F86-L204 VanDerWaalsContact CE2-CD1 3.42Å; F86-L204 HydrophobicContact CE2-CD2 4.08Å; F86-L204 HydrophobicContact CE2-CG 3.67Å; F86-L204 HydrophobicContact CG-CD2 4.11Å; F86-L204 HydrophobicContact CG-CG 4.26Å; F86-L204 HydrophobicContact CZ-CD1 3.88Å; F86-L204 HydrophobicContact CZ-CD2 4.29Å; F86-L204 HydrophobicContact CZ-CG 4.29Å |
| 87 | I | 98.1 | Very high | 96.2 | Very high | 84 Ų | 84 | 56.3 Ų | 56.3 | 43% | 0.431 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.7 | -41.5 | -178.9 | -69 | 166 | 0 | 0 | 0 | 110.7 | M83 S84 L90 I91 | M83-I87 WeakPolarHBondContact O-CB 3.25Å; M83-I87 VanDerWaalsContact O-CG1 3.26Å; M83-I87 WeakPolarHBondContact O-CG1 3.37Å; M83-I87 PolarHBondContact O-N 3.12Å; S84-I87 PolarHBondContact O-N 2.98Å; I87-L90 PolarHBondContact O-N 3.37Å; I87-I91 HydrophobicContact CG2-CD1 3.89Å; I87-I91 HydrophobicContact CG2-CG1 4.49Å; I87-I91 VanDerWaalsContact O-CG1 3.31Å; I87-I91 WeakPolarHBondContact O-CG1 3.42Å; I87-I91 PolarHBondContact O-N 3.17Å |
| 88 | L | 97.7 | Very high | 96.5 | Very high | 62 Ų | 62 | 56.3 Ų | 56.3 | 33% | 0.325 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -65.1 | -45.4 | 177.7 | -73.7 | 171.2 | 0 | 0 | 0 | 112.1 | V66 L69 S84 F85 F86 L90 I91 I92 | V66-L88 HydrophobicContact CG2-CB 4.32Å; L69-L88 HydrophobicContact CD1-CD1 3.34Å; S84-L88 WeakPolarHBondContact O-CB 3.37Å; S84-L88 WeakPolarHBondContact O-CG 3.48Å; S84-L88 PolarHBondContact O-N 2.9Å; F85-L88 PolarHBondContact O-N 3.11Å; F86-L88 VanDerWaalsContact C-N 3.33Å; F86-L88 PolarHBondContact O-N 3.2Å; L88-L90 VanDerWaalsContact C-N 3.28Å; L88-L90 PolarHBondContact O-N 3.31Å; L88-I91 PolarHBondContact O-N 3.38Å; L88-I92 VanDerWaalsContact O-CG1 3.28Å; L88-I92 WeakPolarHBondContact O-CG1 3.28Å; L88-I92 PolarHBondContact O-N 3.35Å |
| 89 | L | 97.9 | Very high | 96.6 | Very high | 12 Ų | 12 | 58.6 Ų | 58.6 | 6% | 0.063 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60 | -39.6 | 173.9 | -76.4 | -177.1 | 0 | 0 | 0 | 112 | V66 F85 F86 I92 L93 E196 M200 | V66-L89 HydrophobicContact CG1-CD2 3.7Å; V66-L89 HydrophobicContact CG1-CG 4.14Å; F85-L89 HydrophobicContact CD1-CD1 4.21Å; F85-L89 HydrophobicContact CD2-CD1 4.45Å; F85-L89 HydrophobicContact CE1-CD1 3.55Å; F85-L89 HydrophobicContact CE2-CD1 3.85Å; F85-L89 HydrophobicContact CE2-CG 4.21Å; F85-L89 HydrophobicContact CZ-CD1 3.37Å; F85-L89 HydrophobicContact CZ-CG 4.21Å; F85-L89 PolarHBondContact O-N 3Å; F86-L89 PolarHBondContact O-N 2.75Å; L89-I92 PolarHBondContact O-N 3.17Å; L89-L93 WeakPolarHBondContact O-CB 3.22Å; L89-L93 PolarHBondContact O-N 2.95Å; L89-E196 HydrophobicContact CD2-CB 4.46Å; L89-E196 HydrophobicContact CD2-CG 4.17Å; L89-M200 HydrophobicContact CB-CG 3.65Å; L89-M200 HydrophobicContact CB-SD 4.12Å; L89-M200 HydrophobicContact CD1-CG 3.95Å; L89-M200 HydrophobicContact CG-CG 4.49Å |
| 90 | L | 98 | Very high | 96.7 | Very high | 65 Ų | 65 | 57.5 Ų | 57.5 | 34% | 0.34 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -63.2 | -43.5 | 176.5 | -179.4 | 63.5 | 0 | 0 | 0 | 111.7 | F86 I87 L88 I92 L93 L94 M200 | F86-L90 HydrophobicContact CE1-CD2 4.28Å; F86-L90 HydrophobicContact CZ-CD2 4.43Å; F86-L90 WeakPolarHBondContact O-CB 3.47Å; F86-L90 PolarHBondContact O-N 3.15Å; I87-L90 PolarHBondContact O-N 3.37Å; L88-L90 VanDerWaalsContact C-N 3.28Å; L88-L90 PolarHBondContact O-N 3.31Å; L90-I92 VanDerWaalsContact C-N 3.34Å; L90-L93 PolarHBondContact O-N 2.8Å; L90-L94 HydrophobicContact CD1-CD1 4.36Å; L90-L94 HydrophobicContact CD1-CG 4.36Å; L90-L94 HydrophobicContact CG-CD1 4.21Å; L90-L94 WeakPolarHBondContact O-CB 3.4Å; L90-L94 VanDerWaalsContact O-CG 3.24Å; L90-L94 WeakPolarHBondContact O-CG 3.34Å; L90-L94 PolarHBondContact O-N 3.39Å; L90-M200 HydrophobicContact CB-SD 4.06Å; L90-M200 HydrophobicContact CD1-SD 4.37Å |
| 91 | I | 98.2 | Very high | 96.7 | Very high | 99 Ų | 99 | 57.8 Ų | 57.8 | 51% | 0.508 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.2 | -43.7 | 176.6 | -70.3 | 166.7 | 0 | 0 | 0 | 110.6 | I87 L88 L94 A95 | I87-I91 HydrophobicContact CG2-CD1 3.89Å; I87-I91 HydrophobicContact CG2-CG1 4.49Å; I87-I91 VanDerWaalsContact O-CG1 3.31Å; I87-I91 WeakPolarHBondContact O-CG1 3.42Å; I87-I91 PolarHBondContact O-N 3.17Å; L88-I91 PolarHBondContact O-N 3.38Å; I91-L94 PolarHBondContact O-N 2.89Å; I91-A95 WeakPolarHBondContact O-CB 3.35Å; I91-A95 PolarHBondContact O-N 3.03Å |
| 92 | I | 97.7 | Very high | 96.7 | Very high | 41 Ų | 41 | 59.5 Ų | 59.5 | 21% | 0.21 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63 | -50.5 | 178.7 | -65.4 | 164.3 | 0 | 0 | 0 | 110 | I62 V66 L88 L89 L90 L94 A95 E96 E196 | I62-I92 HydrophobicContact CG2-CD1 3.77Å; V66-I92 HydrophobicContact CG2-CD1 3.81Å; L88-I92 VanDerWaalsContact O-CG1 3.28Å; L88-I92 WeakPolarHBondContact O-CG1 3.28Å; L88-I92 PolarHBondContact O-N 3.35Å; L89-I92 PolarHBondContact O-N 3.17Å; L90-I92 VanDerWaalsContact C-N 3.34Å; I92-L94 VanDerWaalsContact C-N 3.32Å; I92-L94 PolarHBondContact O-N 3.42Å; I92-A95 CarbonylContact O-C 3.55Å; I92-A95 WeakPolarHBondContact O-CA 3.3Å; I92-A95 WeakPolarHBondContact O-CB 3.43Å; I92-A95 PolarHBondContact O-N 3.03Å; I92-E96 HydrophobicContact CG2-CG 4.26Å; I92-E96 WeakPolarHBondContact O-CG 3.33Å; I92-E96 PolarHBondContact O-N 3Å; I92-E196 WeakPolarHBondContact CG2-OE1 3.1Å |
| 93 | L | 97.8 | Very high | 96.6 | Very high | 30 Ų | 30 | 62.2 Ų | 62.2 | 16% | 0.157 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -57.5 | -43.8 | 178.4 | -178.4 | 66.7 | 0 | 0 | 0 | 112.1 | L89 L90 A95 E96 V97 C193 V197 M200 | L89-L93 WeakPolarHBondContact O-CB 3.22Å; L89-L93 PolarHBondContact O-N 2.95Å; L90-L93 PolarHBondContact O-N 2.8Å; L93-A95 VanDerWaalsContact C-N 3.33Å; L93-A95 PolarHBondContact O-N 3.31Å; L93-E96 PolarHBondContact O-N 3.49Å; L93-V97 HydrophobicContact CD1-CG2 4.4Å; L93-V97 WeakPolarHBondContact O-CG2 3.26Å; L93-V97 PolarHBondContact O-N 3.48Å; L93-C193 HydrophobicContact CD1-CB 3.9Å; L93-V197 HydrophobicContact CD2-CG2 3.85Å; L93-M200 HydrophobicContact CB-CE 4.3Å; L93-M200 HydrophobicContact CD2-CE 3.53Å; L93-M200 HydrophobicContact CG-CE 4.49Å |
| 94 | L | 98.1 | Very high | 96.3 | Very high | 101 Ų | 101 | 64.4 Ų | 64.4 | 53% | 0.529 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -64.2 | -39.4 | 177.2 | -71.6 | 175.4 | 0 | 0 | 0 | 111.7 | L90 I91 I92 T98 | L90-L94 HydrophobicContact CD1-CD1 4.36Å; L90-L94 HydrophobicContact CD1-CG 4.36Å; L90-L94 HydrophobicContact CG-CD1 4.21Å; L90-L94 WeakPolarHBondContact O-CB 3.4Å; L90-L94 VanDerWaalsContact O-CG 3.24Å; L90-L94 WeakPolarHBondContact O-CG 3.34Å; L90-L94 PolarHBondContact O-N 3.39Å; I91-L94 PolarHBondContact O-N 2.89Å; I92-L94 VanDerWaalsContact C-N 3.32Å; I92-L94 PolarHBondContact O-N 3.42Å; L94-T98 VanDerWaalsContact O-CB 3.24Å; L94-T98 WeakPolarHBondContact O-CB 3.31Å; L94-T98 PolarHBondContact O-N 3.29Å; L94-T98 PolarHBondContact O-OG1 3.08Å |
| 95 | A | 97.3 | Very high | 96.2 | Very high | 57 Ų | 57 | 66.5 Ų | 66.5 | 47% | 0.471 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -66.1 | -42.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | I91 I92 L93 T98 L99 | I91-A95 WeakPolarHBondContact O-CB 3.35Å; I91-A95 PolarHBondContact O-N 3.03Å; I92-A95 CarbonylContact O-C 3.55Å; I92-A95 WeakPolarHBondContact O-CA 3.3Å; I92-A95 WeakPolarHBondContact O-CB 3.43Å; I92-A95 PolarHBondContact O-N 3.03Å; L93-A95 VanDerWaalsContact C-N 3.33Å; L93-A95 PolarHBondContact O-N 3.31Å; A95-T98 PolarHBondContact O-N 3.42Å; A95-L99 VanDerWaalsContact O-CB 3.23Å; A95-L99 WeakPolarHBondContact O-CB 3.38Å; A95-L99 PolarHBondContact O-N 3.42Å |
| 96 | E | 96 | Very high | 96.1 | Very high | 59 Ų | 59 | 71.6 Ų | 71.6 | 28% | 0.276 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -60.9 | -49.7 | 176.7 | -72.4 | -169.7 | 157.6 | 0 | 0 | 111.8 | I92 L93 T98 L99 A100 C193 | I92-E96 HydrophobicContact CG2-CG 4.26Å; I92-E96 WeakPolarHBondContact O-CG 3.33Å; I92-E96 PolarHBondContact O-N 3Å; L93-E96 PolarHBondContact O-N 3.49Å; E96-T98 VanDerWaalsContact C-N 3.34Å; E96-T98 PolarHBondContact O-N 2.98Å; E96-L99 PolarHBondContact O-N 3.2Å; E96-A100 WeakPolarHBondContact O-CB 3.32Å; E96-A100 PolarHBondContact O-N 3.49Å; E96-C193 PolarHBondContact OE2-SG 3.19Å |
| 97 | V | 96.1 | Very high | 95.8 | Very high | 71 Ų | 71 | 72.6 Ų | 72.6 | 43% | 0.43 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -63.2 | -42.9 | 178.3 | 173 | 0 | 0 | 0 | 0 | 110.8 | L93 A100 I101 | L93-V97 HydrophobicContact CD1-CG2 4.4Å; L93-V97 WeakPolarHBondContact O-CG2 3.26Å; L93-V97 PolarHBondContact O-N 3.48Å; V97-A100 PolarHBondContact O-N 3.34Å; V97-I101 HydrophobicContact CG1-CD1 3.77Å; V97-I101 HydrophobicContact CG1-CG1 4.48Å; V97-I101 VanDerWaalsContact O-CG1 3.25Å; V97-I101 WeakPolarHBondContact O-CG1 3.44Å; V97-I101 PolarHBondContact O-N 2.92Å |
| 98 | T | 96.6 | Very high | 95.5 | Very high | 75 Ų | 75 | 76 Ų | 76 | 46% | 0.46 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -62.5 | -46.8 | 177.5 | -59.4 | 0 | 0 | 0 | 0 | 110.9 | L94 A95 E96 A100 I101 L102 | L94-T98 VanDerWaalsContact O-CB 3.24Å; L94-T98 WeakPolarHBondContact O-CB 3.31Å; L94-T98 PolarHBondContact O-N 3.29Å; L94-T98 PolarHBondContact O-OG1 3.08Å; A95-T98 PolarHBondContact O-N 3.42Å; E96-T98 VanDerWaalsContact C-N 3.34Å; E96-T98 PolarHBondContact O-N 2.98Å; T98-A100 PolarHBondContact O-N 3.26Å; T98-I101 PolarHBondContact O-N 3.01Å; T98-L102 HydrophobicContact CG2-CD1 3.93Å; T98-L102 HydrophobicContact CG2-CG 4.29Å; T98-L102 WeakPolarHBondContact O-CB 3.47Å; T98-L102 VanDerWaalsContact O-CG 3.26Å; T98-L102 WeakPolarHBondContact O-CG 3.37Å; T98-L102 PolarHBondContact O-N 3.46Å |
| 99 | L | 95.1 | Very high | 95.3 | Very high | 116 Ų | 116 | 79.7 Ų | 79.7 | 61% | 0.607 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -62.9 | -42.4 | 178.7 | -175.7 | 142.9 | 0 | 0 | 0 | 111.4 | A95 E96 L102 L103 | A95-L99 VanDerWaalsContact O-CB 3.23Å; A95-L99 WeakPolarHBondContact O-CB 3.38Å; A95-L99 PolarHBondContact O-N 3.42Å; E96-L99 PolarHBondContact O-N 3.2Å; L99-L102 PolarHBondContact O-N 3.33Å; L99-L103 VanDerWaalsContact O-CB 3.29Å; L99-L103 WeakPolarHBondContact O-CB 3.29Å; L99-L103 PolarHBondContact O-N 2.87Å |
| 100 | A | 93.3 | Very high | 95 | Very high | 36 Ų | 36 | 82.7 Ų | 82.7 | 30% | 0.298 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -58.9 | -50.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | E96 V97 T98 L102 L103 F104 | E96-A100 WeakPolarHBondContact O-CB 3.32Å; E96-A100 PolarHBondContact O-N 3.49Å; V97-A100 PolarHBondContact O-N 3.34Å; T98-A100 PolarHBondContact O-N 3.26Å; A100-L102 PolarHBondContact O-N 3.1Å; A100-L103 PolarHBondContact O-N 2.99Å; A100-F104 WeakPolarHBondContact O-CD2 3.47Å; A100-F104 PolarHBondContact O-N 3.28Å |
| 101 | I | 94.6 | Very high | 94.6 | Very high | 99 Ų | 99 | 81.4 Ų | 81.4 | 51% | 0.508 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -60.5 | -46.6 | 178.7 | -65.2 | 164.6 | 0 | 0 | 0 | 110.9 | V97 T98 L103 F104 V105 | V97-I101 HydrophobicContact CG1-CD1 3.77Å; V97-I101 HydrophobicContact CG1-CG1 4.48Å; V97-I101 VanDerWaalsContact O-CG1 3.25Å; V97-I101 WeakPolarHBondContact O-CG1 3.44Å; V97-I101 PolarHBondContact O-N 2.92Å; T98-I101 PolarHBondContact O-N 3.01Å; I101-L103 VanDerWaalsContact C-N 3.31Å; I101-L103 PolarHBondContact O-N 3.1Å; I101-F104 PolarHBondContact O-N 3.31Å; I101-V105 HydrophobicContact CG2-CG2 4.01Å; I101-V105 WeakPolarHBondContact O-CB 3.35Å; I101-V105 VanDerWaalsContact O-CG2 3.3Å; I101-V105 WeakPolarHBondContact O-CG2 3.37Å; I101-V105 PolarHBondContact O-N 3.38Å |
| 102 | L | 94.5 | Very high | 94.4 | Very high | 83 Ų | 83 | 83.3 Ų | 83.3 | 44% | 0.435 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -62.1 | -39 | 179.4 | -71.7 | 177.2 | 0 | 0 | 0 | 112.1 | T98 L99 A100 F104 Y106 | T98-L102 HydrophobicContact CG2-CD1 3.93Å; T98-L102 HydrophobicContact CG2-CG 4.29Å; T98-L102 WeakPolarHBondContact O-CB 3.47Å; T98-L102 VanDerWaalsContact O-CG 3.26Å; T98-L102 WeakPolarHBondContact O-CG 3.37Å; T98-L102 PolarHBondContact O-N 3.46Å; L99-L102 PolarHBondContact O-N 3.33Å; A100-L102 PolarHBondContact O-N 3.1Å; L102-F104 VanDerWaalsContact C-N 3.33Å; L102-F104 PolarHBondContact O-N 2.88Å; L102-Y106 HydrophobicContact CB-CD2 4.42Å; L102-Y106 HydrophobicContact CD2-CD2 3.62Å; L102-Y106 HydrophobicContact CD2-CE2 3.47Å; L102-Y106 VanDerWaalsContact CD2-CE2 3.47Å; L102-Y106 WeakPolarHBondContact O-CB 3.38Å; L102-Y106 PolarHBondContact O-N 2.82Å |
| 103 | L | 92.5 | Very high | 94.1 | Very high | 57 Ų | 57 | 89.3 Ų | 89.3 | 30% | 0.298 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -62.1 | -41 | 178.5 | -168.1 | 154 | 0 | 0 | 0 | 111.4 | L99 A100 I101 E107 F178 | L99-L103 VanDerWaalsContact O-CB 3.29Å; L99-L103 WeakPolarHBondContact O-CB 3.29Å; L99-L103 PolarHBondContact O-N 2.87Å; A100-L103 PolarHBondContact O-N 2.99Å; I101-L103 VanDerWaalsContact C-N 3.31Å; I101-L103 PolarHBondContact O-N 3.1Å; L103-E107 VanDerWaalsContact O-CA 3.28Å; L103-E107 WeakPolarHBondContact O-CA 3.45Å; L103-E107 WeakPolarHBondContact O-CB 3.23Å; L103-E107 PolarHBondContact O-N 2.85Å; L103-F178 HydrophobicContact CD2-CE1 4.26Å; L103-F178 HydrophobicContact CD2-CZ 4.17Å |
| 104 | F | 90.7 | Very high | 93.8 | Very high | 112 Ų | 112 | 90.2 Ų | 90.2 | 49% | 0.491 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -73.2 | -48.3 | 175.5 | -69.2 | -67.4 | 0 | 0 | 0 | 113.2 | A100 I101 L102 Y106 F182 | A100-F104 WeakPolarHBondContact O-CD2 3.47Å; A100-F104 PolarHBondContact O-N 3.28Å; I101-F104 PolarHBondContact O-N 3.31Å; L102-F104 VanDerWaalsContact C-N 3.33Å; L102-F104 PolarHBondContact O-N 2.88Å; F104-Y106 VanDerWaalsContact C-N 3.32Å; F104-Y106 PolarHBondContact O-N 3.48Å; F104-F182 HydrophobicContact CE1-CE1 4.46Å; F104-F182 AromaticContact CE1-CE2 3.29Å; F104-F182 HydrophobicContact CE1-CE2 3.29Å; F104-F182 AromaticContact CE1-CZ 3.26Å; F104-F182 HydrophobicContact CE1-CZ 3.26Å; F104-F182 HydrophobicContact CE2-CZ 4.47Å; F104-F182 AromaticContact CZ-CE2 3.26Å; F104-F182 HydrophobicContact CZ-CE2 3.26Å; F104-F182 AromaticContact CZ-CZ 3.19Å; F104-F182 HydrophobicContact CZ-CZ 3.19Å |
| 105 | V | 95.6 | Very high | 93.6 | Very high | 96 Ų | 96 | 86.8 Ų | 86.8 | 58% | 0.582 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -67.3 | -36.8 | -174.1 | 172.4 | 0 | 0 | 0 | 0 | 111.2 | I101 | I101-V105 HydrophobicContact CG2-CG2 4.01Å; I101-V105 WeakPolarHBondContact O-CB 3.35Å; I101-V105 VanDerWaalsContact O-CG2 3.3Å; I101-V105 WeakPolarHBondContact O-CG2 3.37Å; I101-V105 PolarHBondContact O-N 3.38Å |
| 106 | Y | 94.5 | Very high | 93.4 | Very high | 111 Ų | 111 | 90.6 Ų | 90.6 | 44% | 0.435 | 45% | 0.45 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.8 | 21.1 | -176.6 | -62 | -71.5 | 0 | 0 | 0 | 113.4 | L102 F104 Q108 K109 L110 | L102-Y106 HydrophobicContact CB-CD2 4.42Å; L102-Y106 HydrophobicContact CD2-CD2 3.62Å; L102-Y106 HydrophobicContact CD2-CE2 3.47Å; L102-Y106 VanDerWaalsContact CD2-CE2 3.47Å; L102-Y106 WeakPolarHBondContact O-CB 3.38Å; L102-Y106 PolarHBondContact O-N 2.82Å; F104-Y106 VanDerWaalsContact C-N 3.32Å; F104-Y106 PolarHBondContact O-N 3.48Å; Y106-Q108 VanDerWaalsContact C-N 3.28Å; Y106-Q108 PolarHBondContact O-N 3.03Å; Y106-K109 HydrophobicContact CD1-CD 4.05Å; Y106-K109 PolarHBondContact O-N 3.28Å; Y106-L110 WeakPolarHBondContact O-CB 3.46Å; Y106-L110 WeakPolarHBondContact O-CG 3.38Å; Y106-L110 PolarHBondContact O-N 3.07Å |
| 107 | E | 91.3 | Very high | 93.2 | Very high | 59 Ų | 59 | 88.7 Ų | 88.7 | 28% | 0.276 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -49.6 | -48.8 | -176.8 | -167.3 | -153.4 | 139.7 | 0 | 0 | 111.8 | L103 L110 N111 R175 H179 | L103-E107 VanDerWaalsContact O-CA 3.28Å; L103-E107 WeakPolarHBondContact O-CA 3.45Å; L103-E107 WeakPolarHBondContact O-CB 3.23Å; L103-E107 PolarHBondContact O-N 2.85Å; E107-L110 PolarHBondContact O-N 3.27Å; E107-N111 WeakPolarHBondContact O-CB 3.49Å; E107-N111 PolarHBondContact O-N 2.98Å; E107-N111 PolarHBondContact O-ND2 3.02Å; E107-N111 PolarHBondContact OE1-ND2 3.49Å; E107-R175 IonicContact OE1-CZ 2.67Å; E107-R175 IonicContact OE1-NE 3.96Å; E107-R175 IonicContact OE1-NH2 2.75Å; E107-R175 PolarHBondContact OE1-NH2 2.94Å; E107-R175 VanDerWaalsContact OE1-NH2 3.08Å; E107-H179 IonicContact OE1-CE1 3.59Å; E107-H179 IonicContact OE1-NE2 3.49Å; E107-H179 PolarHBondContact OE1-NE2 3.48Å |
| 108 | Q | 92.3 | Very high | 93.1 | Very high | 155 Ų | 155 | 86 Ų | 86 | 72% | 0.724 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -62.1 | -46.9 | -179.8 | -69.5 | -176.7 | -31 | 0 | 0 | 112.4 | Y106 L110 N111 E112 | Y106-Q108 VanDerWaalsContact C-N 3.28Å; Y106-Q108 PolarHBondContact O-N 3.03Å; Q108-L110 PolarHBondContact O-N 2.89Å; Q108-N111 PolarHBondContact O-N 3.42Å; Q108-E112 PolarHBondContact O-N 3.34Å |
| 109 | K | 93.4 | Very high | 93 | Very high | 139 Ų | 139 | 85.1 Ų | 85.1 | 60% | 0.604 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -66.2 | -38.6 | 179.4 | -67.6 | -167.7 | -176.9 | -179.7 | 0 | 112 | Y106 E112 Y113 | Y106-K109 HydrophobicContact CD1-CD 4.05Å; Y106-K109 PolarHBondContact O-N 3.28Å; K109-E112 PolarHBondContact O-N 2.87Å; K109-Y113 WeakPolarHBondContact O-CB 3.29Å; K109-Y113 PolarHBondContact O-N 3.41Å |
| 110 | L | 90.7 | Very high | 92.9 | Very high | 76 Ų | 76 | 83.1 Ų | 83.1 | 40% | 0.398 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -64.9 | -42.1 | 175.2 | -72.3 | 175.2 | 0 | 0 | 0 | 110.9 | Y106 E107 Q108 E112 Y113 V114 | Y106-L110 WeakPolarHBondContact O-CB 3.46Å; Y106-L110 WeakPolarHBondContact O-CG 3.38Å; Y106-L110 PolarHBondContact O-N 3.07Å; E107-L110 PolarHBondContact O-N 3.27Å; Q108-L110 PolarHBondContact O-N 2.89Å; L110-E112 PolarHBondContact O-N 3.31Å; L110-Y113 PolarHBondContact O-N 2.9Å; L110-V114 WeakPolarHBondContact O-CB 3.34Å; L110-V114 VanDerWaalsContact O-CG2 3.31Å; L110-V114 WeakPolarHBondContact O-CG2 3.46Å; L110-V114 PolarHBondContact O-N 3.49Å |
| 111 | N | 91.6 | Very high | 92.9 | Very high | 37 Ų | 37 | 81.6 Ų | 81.6 | 20% | 0.198 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -60.7 | -45.5 | 176.6 | -73.6 | -24 | 0 | 0 | 0 | 111.7 | E107 Q108 A115 Y171 | E107-N111 WeakPolarHBondContact O-CB 3.49Å; E107-N111 PolarHBondContact O-N 2.98Å; E107-N111 PolarHBondContact O-ND2 3.02Å; E107-N111 PolarHBondContact OE1-ND2 3.49Å; Q108-N111 PolarHBondContact O-N 3.42Å; N111-A115 WeakPolarHBondContact O-CB 3.4Å; N111-A115 PolarHBondContact O-N 3.21Å; N111-Y171 WeakPolarHBondContact CA-OH 3.38Å; N111-Y171 PolarHBondContact OD1-OH 3.47Å |
| 112 | E | 93.2 | Very high | 92.8 | Very high | 140 Ų | 140 | 77.4 Ų | 77.4 | 65% | 0.654 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -61.9 | -43.9 | 175.2 | -72.1 | 174.9 | -172 | 0 | 0 | 112.2 | Q108 K109 L110 A115 K116 | Q108-E112 PolarHBondContact O-N 3.34Å; K109-E112 PolarHBondContact O-N 2.87Å; L110-E112 PolarHBondContact O-N 3.31Å; E112-A115 PolarHBondContact O-N 2.81Å; E112-K116 WeakPolarHBondContact O-CB 3.49Å; E112-K116 PolarHBondContact O-N 3.03Å |
| 113 | Y | 91.7 | Very high | 92.7 | Very high | 167 Ų | 167 | 80 Ų | 80 | 66% | 0.655 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -63.3 | -45.8 | 179.6 | -176.2 | -95.8 | 0 | 0 | 0 | 112.1 | K109 L110 K116 G117 | K109-Y113 WeakPolarHBondContact O-CB 3.29Å; K109-Y113 PolarHBondContact O-N 3.41Å; L110-Y113 PolarHBondContact O-N 2.9Å; Y113-K116 PolarHBondContact O-N 3.14Å; Y113-G117 PolarHBondContact O-N 3.3Å |
| 114 | V | 92.1 | Very high | 92.7 | Very high | 49 Ų | 49 | 81.6 Ų | 81.6 | 30% | 0.297 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -66.2 | -45.9 | 177.3 | 174.1 | 0 | 0 | 0 | 0 | 110.5 | F44 L110 K116 G117 L118 Y171 | F44-V114 HydrophobicContact CZ-CG1 4.42Å; L110-V114 WeakPolarHBondContact O-CB 3.34Å; L110-V114 VanDerWaalsContact O-CG2 3.31Å; L110-V114 WeakPolarHBondContact O-CG2 3.46Å; L110-V114 PolarHBondContact O-N 3.49Å; V114-K116 VanDerWaalsContact C-N 3.31Å; V114-K116 PolarHBondContact O-N 2.95Å; V114-G117 PolarHBondContact O-N 3.15Å; V114-G117 VanDerWaalsContact O-N 3.17Å; V114-L118 HydrophobicContact CG1-CD1 3.99Å; V114-L118 HydrophobicContact CG1-CG 4.28Å; V114-L118 WeakPolarHBondContact O-CG 3.33Å; V114-L118 PolarHBondContact O-N 2.91Å; V114-Y171 HydrophobicContact CB-CE2 4.3Å; V114-Y171 HydrophobicContact CG1-CD2 4.13Å; V114-Y171 HydrophobicContact CG1-CE2 3.56Å |
| 115 | A | 92.6 | Very high | 92.8 | Very high | 28 Ų | 28 | 76.9 Ų | 76.9 | 23% | 0.231 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -59.7 | -41.6 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | N111 E112 L118 T119 Y171 | N111-A115 WeakPolarHBondContact O-CB 3.4Å; N111-A115 PolarHBondContact O-N 3.21Å; E112-A115 PolarHBondContact O-N 2.81Å; A115-L118 PolarHBondContact O-N 3.29Å; A115-T119 WeakPolarHBondContact O-CB 3.38Å; A115-T119 PolarHBondContact O-N 3.06Å; A115-T119 PolarHBondContact O-OG1 3.31Å; A115-Y171 HydrophobicContact CB-CE1 4.37Å |
| 116 | K | 93.1 | Very high | 92.6 | Very high | 138 Ų | 138 | 79 Ų | 79 | 60% | 0.6 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -62.2 | -47.2 | 173.9 | -174.5 | 178.5 | 179.5 | -179.9 | 0 | 111.6 | E112 Y113 V114 L118 T119 D120 | E112-K116 WeakPolarHBondContact O-CB 3.49Å; E112-K116 PolarHBondContact O-N 3.03Å; Y113-K116 PolarHBondContact O-N 3.14Å; V114-K116 VanDerWaalsContact C-N 3.31Å; V114-K116 PolarHBondContact O-N 2.95Å; K116-L118 VanDerWaalsContact C-N 3.29Å; K116-L118 PolarHBondContact O-N 2.83Å; K116-T119 WeakPolarHBondContact O-CB 3.19Å; K116-T119 PolarHBondContact O-N 2.93Å; K116-T119 VanDerWaalsContact O-N 3.14Å; K116-D120 PolarHBondContact O-N 3.38Å |
| 117 | G | 92.8 | Very high | 92.5 | Very high | 19 Ų | 19 | 78.2 Ų | 78.2 | 20% | 0.196 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -61.2 | -36.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y113 V114 S121 | Y113-G117 PolarHBondContact O-N 3.3Å; V114-G117 PolarHBondContact O-N 3.15Å; V114-G117 VanDerWaalsContact O-N 3.17Å; G117-S121 WeakPolarHBondContact O-CB 3.42Å; G117-S121 PolarHBondContact O-N 3.17Å |
| 118 | L | 93.9 | Very high | 92.5 | Very high | 13 Ų | 13 | 76.9 Ų | 76.9 | 7% | 0.068 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -69.9 | -36.6 | 175.2 | -70.1 | 174.2 | 0 | 0 | 0 | 111.7 | L43 F44 V114 A115 K116 S121 I122 W135 I147 Y171 | L43-L118 HydrophobicContact CD1-CD2 4.18Å; L43-L118 HydrophobicContact CD2-CD2 3.75Å; L43-L118 HydrophobicContact CG-CD2 4.01Å; F44-L118 HydrophobicContact CE1-CD2 3.94Å; F44-L118 HydrophobicContact CE1-CG 4.07Å; F44-L118 HydrophobicContact CZ-CD2 3.73Å; F44-L118 HydrophobicContact CZ-CG 4.06Å; V114-L118 HydrophobicContact CG1-CD1 3.99Å; V114-L118 HydrophobicContact CG1-CG 4.28Å; V114-L118 WeakPolarHBondContact O-CG 3.33Å; V114-L118 PolarHBondContact O-N 2.91Å; A115-L118 PolarHBondContact O-N 3.29Å; K116-L118 VanDerWaalsContact C-N 3.29Å; K116-L118 PolarHBondContact O-N 2.83Å; L118-S121 WeakPolarHBondContact O-CB 3.29Å; L118-S121 PolarHBondContact O-N 3.42Å; L118-I122 PolarHBondContact O-N 3.38Å; L118-W135 HydrophobicContact CD2-CH2 4.41Å; L118-W135 HydrophobicContact CD2-CZ2 4.31Å; L118-I147 HydrophobicContact CB-CD1 3.79Å; L118-I147 HydrophobicContact CB-CG1 3.99Å; L118-I147 HydrophobicContact CD1-CG2 4.29Å; L118-Y171 HydrophobicContact CD1-CD1 4.43Å; L118-Y171 HydrophobicContact CD1-CD2 3.61Å; L118-Y171 HydrophobicContact CD1-CE2 4.37Å; L118-Y171 HydrophobicContact CD1-CG 3.66Å |
| 119 | T | 93.9 | Very high | 92.4 | Very high | 57 Ų | 57 | 76 Ų | 76 | 35% | 0.35 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -65 | -45.8 | 174.2 | -53.6 | 0 | 0 | 0 | 0 | 110.4 | A115 K116 S121 I122 H123 | A115-T119 WeakPolarHBondContact O-CB 3.38Å; A115-T119 PolarHBondContact O-N 3.06Å; A115-T119 PolarHBondContact O-OG1 3.31Å; K116-T119 WeakPolarHBondContact O-CB 3.19Å; K116-T119 PolarHBondContact O-N 2.93Å; K116-T119 VanDerWaalsContact O-N 3.14Å; T119-S121 PolarHBondContact O-N 3.46Å; T119-I122 WeakPolarHBondContact O-CG2 3.35Å; T119-I122 PolarHBondContact O-N 2.82Å; T119-H123 PolarHBondContact O-CD2 3.26Å; T119-H123 PolarHBondContact O-N 2.9Å |
| 120 | D | 92.8 | Very high | 92.2 | Very high | 74 Ų | 74 | 71.7 Ų | 71.7 | 40% | 0.396 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -61.7 | -33.1 | 174.8 | -69.3 | -22.6 | 0 | 0 | 0 | 112 | K116 | K116-D120 PolarHBondContact O-N 3.38Å |
| 121 | S | 93.1 | Very high | 92.1 | Very high | 4 Ų | 4 | 68 Ų | 68 | 3% | 0.028 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -69.7 | -45.3 | 175.4 | 179.7 | 0 | 0 | 0 | 0 | 112.9 | L43 G117 L118 T119 H123 R124 Y125 W135 | L43-S121 WeakPolarHBondContact O-CB 3.33Å; L43-S121 PolarHBondContact O-OG 2.87Å; G117-S121 WeakPolarHBondContact O-CB 3.42Å; G117-S121 PolarHBondContact O-N 3.17Å; L118-S121 WeakPolarHBondContact O-CB 3.29Å; L118-S121 PolarHBondContact O-N 3.42Å; T119-S121 PolarHBondContact O-N 3.46Å; S121-H123 VanDerWaalsContact C-N 3.27Å; S121-H123 PolarHBondContact O-N 2.94Å; S121-R124 PolarHBondContact O-N 2.96Å; S121-Y125 PolarHBondContact O-N 3.45Å; S121-W135 PolarHBondContact OG-NE1 3.29Å |
| 122 | I | 93 | Very high | 92.2 | Very high | 12 Ų | 12 | 70.5 Ų | 70.5 | 6% | 0.062 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -63.2 | -35.6 | -177.5 | -147.2 | 175.6 | 0 | 0 | 0 | 111.4 | L118 T119 R124 Y125 W135 D152 W153 | L118-I122 PolarHBondContact O-N 3.38Å; T119-I122 WeakPolarHBondContact O-CG2 3.35Å; T119-I122 PolarHBondContact O-N 2.82Å; I122-R124 PolarHBondContact O-N 3.24Å; I122-Y125 WeakPolarHBondContact O-CB 3.32Å; I122-Y125 PolarHBondContact O-N 3.32Å; I122-W135 HydrophobicContact CB-CZ2 4.11Å; I122-W135 HydrophobicContact CG1-CZ2 4.19Å; I122-D152 HydrophobicContact CD1-CB 3.77Å; I122-W153 HydrophobicContact CD1-CD2 4.03Å; I122-W153 HydrophobicContact CD1-CE3 4.22Å; I122-W153 HydrophobicContact CD1-CH2 3.97Å; I122-W153 HydrophobicContact CD1-CZ2 3.74Å; I122-W153 HydrophobicContact CD1-CZ3 4.2Å; I122-W153 HydrophobicContact CG1-CD2 4.34Å; I122-W153 HydrophobicContact CG1-CE3 4.08Å; I122-W153 HydrophobicContact CG1-CH2 3.36Å; I122-W153 HydrophobicContact CG1-CZ2 3.66Å; I122-W153 HydrophobicContact CG1-CZ3 3.6Å |
| 123 | H | 92.8 | Very high | 92.2 | Very high | 137 Ų | 137 | 65 Ų | 65 | 63% | 0.634 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -24 | 174.7 | -73.5 | -55.3 | 0 | 0 | 0 | 113.5 | T119 S121 | T119-H123 PolarHBondContact O-CD2 3.26Å; T119-H123 PolarHBondContact O-N 2.9Å; S121-H123 VanDerWaalsContact C-N 3.27Å; S121-H123 PolarHBondContact O-N 2.94Å |
| 124 | R | 92.6 | Very high | 92.2 | Very high | 90 Ų | 90 | 57.1 Ų | 57.1 | 34% | 0.34 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | -6.3 | 180 | -66.6 | 178.5 | -178.2 | -147.6 | 1.7 | 113.7 | H45 S121 I122 H126 S127 D128 T131 | H45-R124 PolarHBondContact CD2-NH1 3.11Å; H45-R124 PolarHBondContact NE2-NH1 2.79Å; S121-R124 PolarHBondContact O-N 2.96Å; I122-R124 PolarHBondContact O-N 3.24Å; R124-H126 VanDerWaalsContact C-N 3.26Å; R124-H126 PolarHBondContact O-N 3.39Å; R124-H126 VanDerWaalsContact O-N 3.14Å; R124-S127 WeakPolarHBondContact CA-OG 3.45Å; R124-S127 PolarHBondContact O-N 3.41Å; R124-S127 PolarHBondContact O-OG 2.81Å; R124-D128 HydrophobicContact CB-CB 4.4Å; R124-D128 PolarHBondContact O-N 3.39Å; R124-T131 HydrophobicContact CB-CG2 4.21Å; R124-T131 PolarHBondContact O-OG1 3.1Å |
| 125 | Y | 92.6 | Very high | 92.3 | Very high | 13 Ų | 13 | 55 Ų | 55 | 5% | 0.051 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.2 | -41.2 | -175.6 | 177.4 | -95.7 | 0 | 0 | 0 | 113.8 | S121 I122 K132 W135 D136 W153 P158 | S121-Y125 PolarHBondContact O-N 3.45Å; I122-Y125 WeakPolarHBondContact O-CB 3.32Å; I122-Y125 PolarHBondContact O-N 3.32Å; Y125-K132 HydrophobicContact CD2-CB 4.19Å; Y125-K132 HydrophobicContact CD2-CG 4.23Å; Y125-K132 HydrophobicContact CE2-CB 4.1Å; Y125-K132 HydrophobicContact CE2-CG 3.66Å; Y125-K132 WeakPolarHBondContact O-CB 3.32Å; Y125-W135 HydrophobicContact CD2-CB 3.74Å; Y125-W135 HydrophobicContact CD2-CG 4.12Å; Y125-W135 HydrophobicContact CE2-CB 3.83Å; Y125-D136 PolarHBondContact OH-OD1 3.36Å; Y125-W153 AromaticContact CD1-CH2 3.92Å; Y125-W153 HydrophobicContact CD1-CH2 3.92Å; Y125-W153 AromaticContact CD1-CZ3 3.55Å; Y125-W153 HydrophobicContact CD1-CZ3 3.55Å; Y125-W153 AromaticContact CD2-CH2 3.49Å; Y125-W153 HydrophobicContact CD2-CH2 3.49Å; Y125-W153 VanDerWaalsContact CD2-CH2 3.49Å; Y125-W153 HydrophobicContact CD2-CZ2 4.49Å; Y125-W153 HydrophobicContact CD2-CZ3 4Å; Y125-W153 HydrophobicContact CE1-CH2 4.4Å; Y125-W153 HydrophobicContact CE1-CZ3 4.19Å; Y125-W153 HydrophobicContact CE2-CH2 4.02Å; Y125-W153 AromaticContact CG-CH2 3.45Å; Y125-W153 HydrophobicContact CG-CH2 3.45Å; Y125-W153 VanDerWaalsContact CG-CH2 3.45Å; Y125-W153 AromaticContact CG-CZ3 3.46Å; Y125-W153 HydrophobicContact CG-CZ3 3.46Å; Y125-W153 VanDerWaalsContact CG-CZ3 3.46Å; Y125-P158 HydrophobicContact CE1-CB 4.14Å; Y125-P158 WeakPolarHBondContact OH-CB 3.48Å |
| 126 | H | 91.2 | Very high | 92.4 | Very high | 141 Ų | 141 | 55.7 Ų | 55.7 | 65% | 0.653 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -15.3 | 179.6 | -68.3 | -71.8 | 0 | 0 | 0 | 114.2 | R124 | R124-H126 VanDerWaalsContact C-N 3.26Å; R124-H126 PolarHBondContact O-N 3.39Å; R124-H126 VanDerWaalsContact O-N 3.14Å |
| 127 | S | 91.6 | Very high | 92.3 | Very high | 95 Ų | 95 | 50.7 Ų | 50.7 | 66% | 0.664 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106 | -24.3 | -174.7 | 56.8 | 0 | 0 | 0 | 0 | 114.4 | R124 | R124-S127 WeakPolarHBondContact CA-OG 3.45Å; R124-S127 PolarHBondContact O-N 3.41Å; R124-S127 PolarHBondContact O-OG 2.81Å |
| 128 | D | 91.6 | Very high | 92.4 | Very high | 30 Ų | 30 | 52 Ų | 52 | 16% | 0.16 | 28% | 0.276 | C | S | . | . | trans | -125.3 | 109.6 | -176 | -179.3 | -7.9 | 0 | 0 | 0 | 110.2 | H45 R124 S130 T131 K132 | H45-D128 IonicContact CE1-OD2 3.71Å; H45-D128 IonicContact ND1-OD2 2.94Å; H45-D128 PolarHBondContact ND1-OD2 2.94Å; R124-D128 HydrophobicContact CB-CB 4.4Å; R124-D128 PolarHBondContact O-N 3.39Å; D128-S130 PolarHBondContact O-N 3.21Å; D128-S130 VanDerWaalsContact O-N 3.14Å; D128-S130 VanDerWaalsContact OD1-CB 3.3Å; D128-S130 WeakPolarHBondContact OD1-CB 3.12Å; D128-S130 PolarHBondContact OD1-N 3.31Å; D128-S130 PolarHBondContact OD1-OG 2.97Å; D128-T131 HydrophobicContact CB-CG2 4.08Å; D128-T131 WeakPolarHBondContact CB-OG1 3.25Å; D128-T131 PolarHBondContact O-N 3.24Å; D128-T131 VanDerWaalsContact O-N 3.09Å; D128-T131 PolarHBondContact O-OG1 3.4Å; D128-K132 PolarHBondContact O-N 3.29Å | ||
| 129 | N | 90.5 | Very high | 92.4 | Very high | 138 Ų | 138 | 51.4 Ų | 51.4 | 74% | 0.738 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -56.2 | -29.7 | 179.2 | -72 | -24.7 | 0 | 0 | 0 | 113.1 | A133 | N129-A133 WeakPolarHBondContact O-CB 3.15Å; N129-A133 PolarHBondContact O-N 3.38Å |
| 130 | S | 88.5 | Confident | 92.4 | Very high | 47 Ų | 47 | 51.4 Ų | 51.4 | 33% | 0.329 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -72.7 | -41.7 | 179.1 | -48.2 | 0 | 0 | 0 | 0 | 111 | G41 V42 D128 K132 A134 | G41-S130 WeakPolarHBondContact CA-O 2.95Å; V42-S130 PolarHBondContact N-O 2.99Å; D128-S130 PolarHBondContact O-N 3.21Å; D128-S130 VanDerWaalsContact O-N 3.14Å; D128-S130 VanDerWaalsContact OD1-CB 3.3Å; D128-S130 WeakPolarHBondContact OD1-CB 3.12Å; D128-S130 PolarHBondContact OD1-N 3.31Å; D128-S130 PolarHBondContact OD1-OG 2.97Å; S130-K132 VanDerWaalsContact C-N 3.33Å; S130-A134 PolarHBondContact O-N 3.49Å |
| 131 | T | 90.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -67.6 | -37.1 | 174.9 | 63.2 | 0 | 0 | 0 | 0 | 111.3 | V42 R124 D128 A134 W135 | V42-T131 WeakPolarHBondContact O-CA 3.37Å; R124-T131 HydrophobicContact CB-CG2 4.21Å; R124-T131 PolarHBondContact O-OG1 3.1Å; D128-T131 HydrophobicContact CB-CG2 4.08Å; D128-T131 WeakPolarHBondContact CB-OG1 3.25Å; D128-T131 PolarHBondContact O-N 3.24Å; D128-T131 VanDerWaalsContact O-N 3.09Å; D128-T131 PolarHBondContact O-OG1 3.4Å; T131-A134 PolarHBondContact O-N 3.46Å; T131-W135 VanDerWaalsContact O-CD1 3.27Å; T131-W135 PolarHBondContact O-N 2.87Å |
| 132 | K | 92.9 | Very high | 92.4 | Very high | 88 Ų | 88 | 59.2 Ų | 59.2 | 38% | 0.383 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -57.9 | -53.4 | 173.5 | -179.6 | 171.2 | 179.6 | -178.1 | 0 | 112.2 | Y125 D128 S130 A134 W135 D136 | Y125-K132 HydrophobicContact CD2-CB 4.19Å; Y125-K132 HydrophobicContact CD2-CG 4.23Å; Y125-K132 HydrophobicContact CE2-CB 4.1Å; Y125-K132 HydrophobicContact CE2-CG 3.66Å; Y125-K132 WeakPolarHBondContact O-CB 3.32Å; D128-K132 PolarHBondContact O-N 3.29Å; S130-K132 VanDerWaalsContact C-N 3.33Å; K132-A134 PolarHBondContact O-N 2.89Å; K132-W135 PolarHBondContact O-N 3.17Å; K132-D136 WeakPolarHBondContact O-CB 3.35Å; K132-D136 PolarHBondContact O-N 3.41Å |
| 133 | A | 91.9 | Very high | 92.4 | Very high | 24 Ų | 24 | 67 Ų | 67 | 20% | 0.198 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -58.3 | -36.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | N129 S137 | N129-A133 WeakPolarHBondContact O-CB 3.15Å; N129-A133 PolarHBondContact O-N 3.38Å; A133-S137 VanDerWaalsContact O-CB 3.27Å; A133-S137 WeakPolarHBondContact O-CB 3.41Å; A133-S137 PolarHBondContact O-N 2.97Å; A133-S137 PolarHBondContact O-OG 3.27Å |
| 134 | A | 91.8 | Very high | 92.6 | Very high | 3 Ų | 3 | 60.4 Ų | 60.4 | 3% | 0.025 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65.8 | -50.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | F40 L43 S130 T131 K132 S137 I138 | F40-A134 WeakPolarHBondContact O-CA 3.49Å; F40-A134 VanDerWaalsContact O-CB 3.31Å; F40-A134 WeakPolarHBondContact O-CB 3.22Å; F40-A134 PolarHBondContact O-N 2.9Å; L43-A134 HydrophobicContact CB-CB 4.25Å; L43-A134 HydrophobicContact CD1-CB 4.36Å; S130-A134 PolarHBondContact O-N 3.49Å; T131-A134 PolarHBondContact O-N 3.46Å; K132-A134 PolarHBondContact O-N 2.89Å; A134-S137 PolarHBondContact O-N 2.93Å; A134-I138 WeakPolarHBondContact O-CB 3.33Å; A134-I138 WeakPolarHBondContact O-CD1 3.44Å; A134-I138 VanDerWaalsContact O-CG1 3.23Å; A134-I138 WeakPolarHBondContact O-CG1 3.33Å; A134-I138 PolarHBondContact O-N 3Å |
| 135 | W | 94.4 | Very high | 92.8 | Very high | 5 Ų | 5 | 56.1 Ų | 56.1 | 2% | 0.019 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.1 | -45.9 | 177.1 | -82.1 | 108.5 | 0 | 0 | 0 | 112 | L43 L118 S121 I122 Y125 T131 K132 S137 I138 Q139 I147 W153 | L43-W135 HydrophobicContact CD1-CD2 4.36Å; L43-W135 HydrophobicContact CD1-CZ2 4.28Å; L118-W135 HydrophobicContact CD2-CH2 4.41Å; L118-W135 HydrophobicContact CD2-CZ2 4.31Å; S121-W135 PolarHBondContact OG-NE1 3.29Å; I122-W135 HydrophobicContact CB-CZ2 4.11Å; I122-W135 HydrophobicContact CG1-CZ2 4.19Å; Y125-W135 HydrophobicContact CD2-CB 3.74Å; Y125-W135 HydrophobicContact CD2-CG 4.12Å; Y125-W135 HydrophobicContact CE2-CB 3.83Å; T131-W135 VanDerWaalsContact O-CD1 3.27Å; T131-W135 PolarHBondContact O-N 2.87Å; K132-W135 PolarHBondContact O-N 3.17Å; W135-S137 VanDerWaalsContact C-N 3.33Å; W135-S137 PolarHBondContact O-N 3.44Å; W135-I138 PolarHBondContact O-N 3Å; W135-Q139 HydrophobicContact CE3-CG 4.34Å; W135-Q139 VanDerWaalsContact O-CB 3.29Å; W135-Q139 WeakPolarHBondContact O-CB 3.37Å; W135-Q139 WeakPolarHBondContact O-CG 3.26Å; W135-Q139 PolarHBondContact O-N 2.93Å; W135-I147 HydrophobicContact CH2-CG1 3.85Å; W135-I147 HydrophobicContact CZ2-CG1 4.42Å; W135-W153 HydrophobicContact CD2-CZ2 4.33Å; W135-W153 HydrophobicContact CE3-CZ2 4.39Å; W135-W153 HydrophobicContact CG-CH2 4.34Å; W135-W153 HydrophobicContact CG-CZ2 4.45Å |
| 136 | D | 94.7 | Very high | 92.8 | Very high | 42 Ų | 42 | 55.5 Ų | 55.5 | 23% | 0.225 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.3 | -43 | 179.1 | -75.2 | -22.3 | 0 | 0 | 0 | 111.9 | Y125 K132 S140 S160 | Y125-D136 PolarHBondContact OH-OD1 3.36Å; K132-D136 WeakPolarHBondContact O-CB 3.35Å; K132-D136 PolarHBondContact O-N 3.41Å; D136-S140 VanDerWaalsContact O-CB 3.26Å; D136-S140 WeakPolarHBondContact O-CB 3.49Å; D136-S140 PolarHBondContact O-N 2.88Å; D136-S140 VanDerWaalsContact O-N 3.1Å; D136-S140 PolarHBondContact O-OG 3Å; D136-S160 VanDerWaalsContact OD1-CB 3.24Å; D136-S160 WeakPolarHBondContact OD1-CB 3.16Å; D136-S160 PolarHBondContact OD1-OG 2.92Å |
| 137 | S | 92 | Very high | 93 | Very high | 32 Ų | 32 | 49.1 Ų | 49.1 | 22% | 0.224 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -67.6 | -45.3 | 178.5 | -59.9 | 0 | 0 | 0 | 0 | 112 | A133 A134 W135 S140 F141 | A133-S137 VanDerWaalsContact O-CB 3.27Å; A133-S137 WeakPolarHBondContact O-CB 3.41Å; A133-S137 PolarHBondContact O-N 2.97Å; A133-S137 PolarHBondContact O-OG 3.27Å; A134-S137 PolarHBondContact O-N 2.93Å; W135-S137 VanDerWaalsContact C-N 3.33Å; W135-S137 PolarHBondContact O-N 3.44Å; S137-S140 PolarHBondContact O-OG 3.35Å; S137-S140 VanDerWaalsContact O-OG 3.12Å; S137-F141 WeakPolarHBondContact O-CB 3.48Å; S137-F141 PolarHBondContact O-N 3.5Å |
| 138 | I | 93.6 | Very high | 93.1 | Very high | 48 Ų | 48 | 49.7 Ų | 49.7 | 25% | 0.246 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.7 | -47.1 | -179.3 | -70.9 | 167.2 | 0 | 0 | 0 | 110.6 | L43 A134 W135 F141 L142 C170 | L43-I138 HydrophobicContact CD1-CD1 3.88Å; L43-I138 HydrophobicContact CD2-CD1 3.84Å; L43-I138 HydrophobicContact CG-CD1 4.35Å; A134-I138 WeakPolarHBondContact O-CB 3.33Å; A134-I138 WeakPolarHBondContact O-CD1 3.44Å; A134-I138 VanDerWaalsContact O-CG1 3.23Å; A134-I138 WeakPolarHBondContact O-CG1 3.33Å; A134-I138 PolarHBondContact O-N 3Å; W135-I138 PolarHBondContact O-N 3Å; I138-F141 PolarHBondContact O-N 3.29Å; I138-L142 HydrophobicContact CG2-CD1 3.98Å; I138-L142 WeakPolarHBondContact O-CB 3.48Å; I138-L142 PolarHBondContact O-N 3.42Å; I138-C170 HydrophobicContact CG2-CB 4.21Å |
| 139 | Q | 95.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -65.8 | -43.1 | -177.2 | -71.8 | 173.7 | -6.3 | 0 | 0 | 112.1 | W135 R143 C144 P158 S160 C161 | W135-Q139 HydrophobicContact CE3-CG 4.34Å; W135-Q139 VanDerWaalsContact O-CB 3.29Å; W135-Q139 WeakPolarHBondContact O-CB 3.37Å; W135-Q139 WeakPolarHBondContact O-CG 3.26Å; W135-Q139 PolarHBondContact O-N 2.93Å; Q139-R143 WeakPolarHBondContact O-CA 3.32Å; Q139-R143 PolarHBondContact O-N 3.46Å; Q139-C144 WeakPolarHBondContact CA-O 3.49Å; Q139-C144 WeakPolarHBondContact CB-O 3.19Å; Q139-C144 WeakPolarHBondContact CG-O 3.44Å; Q139-C144 PolarHBondContact O-N 3.45Å; Q139-P158 VanDerWaalsContact OE1-CG 3.23Å; Q139-S160 PolarHBondContact OE1-OG 2.91Å; Q139-C161 PolarHBondContact OE1-SG 3.2Å |
| 140 | S | 93.2 | Very high | 93.2 | Very high | 57 Ų | 57 | 44.7 Ų | 44.7 | 40% | 0.399 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -68.9 | -40.3 | 177.5 | 59.8 | 0 | 0 | 0 | 0 | 112.6 | D136 S137 R143 | D136-S140 VanDerWaalsContact O-CB 3.26Å; D136-S140 WeakPolarHBondContact O-CB 3.49Å; D136-S140 PolarHBondContact O-N 2.88Å; D136-S140 VanDerWaalsContact O-N 3.1Å; D136-S140 PolarHBondContact O-OG 3Å; S137-S140 PolarHBondContact O-OG 3.35Å; S137-S140 VanDerWaalsContact O-OG 3.12Å; S140-R143 PolarHBondContact O-NE 2.84Å |
| 141 | F | 92 | Very high | 93.3 | Very high | 172 Ų | 172 | 47.1 Ų | 47.1 | 75% | 0.754 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -71.7 | -49.2 | -179.7 | -177.1 | -102.2 | 0 | 0 | 0 | 112.5 | S137 I138 R143 | S137-F141 WeakPolarHBondContact O-CB 3.48Å; S137-F141 PolarHBondContact O-N 3.5Å; I138-F141 PolarHBondContact O-N 3.29Å; F141-R143 VanDerWaalsContact C-N 3.34Å |
| 142 | L | 93.2 | Very high | 93.4 | Very high | 70 Ų | 70 | 49.2 Ų | 49.2 | 37% | 0.366 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -85.6 | -6.5 | -177.7 | -63.9 | -179.2 | 0 | 0 | 0 | 113.4 | I138 C144 K173 | I138-L142 HydrophobicContact CG2-CD1 3.98Å; I138-L142 WeakPolarHBondContact O-CB 3.48Å; I138-L142 PolarHBondContact O-N 3.42Å; L142-C144 VanDerWaalsContact CB-SG 3.56Å; L142-K173 PolarHBondContact O-NZ 3.37Å |
| 143 | R | 94.4 | Very high | 93.4 | Very high | 174 Ų | 174 | 45.8 Ų | 45.8 | 66% | 0.657 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.6 | 60.8 | -175.2 | -58.8 | -68.4 | -174.9 | 159.3 | 1.1 | 110.5 | Q139 S140 F141 P162 K173 | Q139-R143 WeakPolarHBondContact O-CA 3.32Å; Q139-R143 PolarHBondContact O-N 3.46Å; S140-R143 PolarHBondContact O-NE 2.84Å; F141-R143 VanDerWaalsContact C-N 3.34Å; R143-P162 HydrophobicContact CB-CG 4.2Å; R143-K173 PolarHBondContact O-NZ 3Å; R143-K173 VanDerWaalsContact O-NZ 3.12Å |
| 144 | C | 96.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 28% | 0.276 | C | S | . | . | trans | -140.5 | 169 | -178.2 | 59.6 | 0 | 0 | 0 | 0 | 109.7 | Q139 L142 P162 E168 C170 K173 | Q139-C144 WeakPolarHBondContact CA-O 3.49Å; Q139-C144 WeakPolarHBondContact CB-O 3.19Å; Q139-C144 WeakPolarHBondContact CG-O 3.44Å; Q139-C144 PolarHBondContact O-N 3.45Å; L142-C144 VanDerWaalsContact CB-SG 3.56Å; C144-P162 WeakPolarHBondContact O-CD 3.38Å; C144-E168 WeakPolarHBondContact CA-O 2.97Å; C144-E168 WeakPolarHBondContact CB-O 3.33Å; C144-C170 HydrophobicContact CB-CB 3.87Å; C144-C170 WeakPolarHBondContact CB-SG 3.47Å; C144-C170 WeakPolarHBondContact SG-CA 3.39Å; C144-C170 WeakPolarHBondContact SG-CB 3.41Å; C144-C170 CovalentContact SG-SG 2.03Å; C144-C170 PolarHBondContact SG-SG 3.18Å; C144-K173 HydrophobicContact CB-CD 4.15Å | ||
| 145 | C | 96.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 31% | 0.305 | C | S | . | . | trans | -142.7 | 129.6 | 178 | -164.1 | 0 | 0 | 0 | 0 | 112.5 | G149 T150 C161 V167 E168 G169 | C145-G149 CarbonylContact O-C 3.13Å; C145-G149 VanDerWaalsContact O-CA 3.25Å; C145-G149 WeakPolarHBondContact O-CA 3.23Å; C145-T150 HydrophobicContact CB-CG2 3.93Å; C145-C161 VanDerWaalsContact CA-SG 3.5Å; C145-C161 HydrophobicContact CB-CB 3.73Å; C145-C161 WeakPolarHBondContact CB-SG 3.37Å; C145-C161 WeakPolarHBondContact SG-CB 3.14Å; C145-C161 CovalentContact SG-SG 2.04Å; C145-C161 PolarHBondContact SG-SG 3.32Å; C145-V167 HydrophobicContact CB-CG1 3.73Å; C145-V167 HydrophobicContact CB-CG2 4.27Å; C145-E168 PolarHBondContact N-O 2.84Å; C145-G169 WeakPolarHBondContact O-CA 3.34Å | ||
| 146 | G | 94.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 32% | 0.321 | C | S | . | . | S | Bend | trans | 68.6 | -164.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | C170 | G146-C170 WeakPolarHBondContact O-CB 3.4Å; G146-C170 PolarHBondContact O-N 2.91Å |
| 147 | I | 94.6 | Very high | 92.8 | Very high | 7 Ų | 7 | 58.3 Ų | 58.3 | 4% | 0.036 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -82.7 | -59.2 | 179.4 | -57.6 | 171.3 | 0 | 0 | 0 | 108.9 | L118 W135 D152 G169 C170 Y171 A172 | L118-I147 HydrophobicContact CB-CD1 3.79Å; L118-I147 HydrophobicContact CB-CG1 3.99Å; L118-I147 HydrophobicContact CD1-CG2 4.29Å; W135-I147 HydrophobicContact CH2-CG1 3.85Å; W135-I147 HydrophobicContact CZ2-CG1 4.42Å; I147-D152 WeakPolarHBondContact CA-OD2 3.45Å; I147-D152 WeakPolarHBondContact CB-OD2 3.39Å; I147-D152 PolarHBondContact N-OD2 3.5Å; I147-G169 CarbonylContact O-C 3.31Å; I147-G169 VanDerWaalsContact O-C 3.31Å; I147-G169 VanDerWaalsContact O-CA 3.3Å; I147-G169 WeakPolarHBondContact O-CA 3.34Å; I147-C170 PolarHBondContact O-N 2.98Å; I147-Y171 HydrophobicContact CG2-CD1 3.99Å; I147-Y171 HydrophobicContact CG2-CG 4.19Å; I147-Y171 WeakPolarHBondContact O-CB 3.48Å; I147-Y171 PolarHBondContact O-N 3.47Å; I147-A172 PolarHBondContact O-N 2.89Å |
| 148 | N | 93 | Very high | 92.9 | Very high | 107 Ų | 107 | 57.8 Ų | 57.8 | 57% | 0.572 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -108.9 | -18.4 | 178.7 | -64.6 | -42.4 | 0 | 0 | 0 | 112.3 | D152 G169 | N148-D152 PolarHBondContact N-OD2 2.73Å; N148-G169 WeakPolarHBondContact O-CA 3.4Å; N148-G169 PolarHBondContact O-N 3.01Å |
| 149 | G | 92.5 | Very high | 92.8 | Very high | 8 Ų | 8 | 60.8 Ų | 60.8 | 8% | 0.082 | 36% | 0.36 | C | S | . | . | S | Bend | trans | 171.5 | -169.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | C145 S151 D152 | C145-G149 CarbonylContact O-C 3.13Å; C145-G149 VanDerWaalsContact O-CA 3.25Å; C145-G149 WeakPolarHBondContact O-CA 3.23Å; G149-S151 PolarHBondContact O-N 3.39Å; G149-D152 PolarHBondContact N-OD2 3.33Å; G149-D152 VanDerWaalsContact N-OD2 3.09Å; G149-D152 PolarHBondContact O-N 3.22Å; G149-D152 VanDerWaalsContact O-OD2 3.09Å |
| 150 | T | 91.9 | Very high | 92.8 | Very high | 54 Ų | 54 | 62 Ų | 62 | 33% | 0.331 | 37% | 0.368 | S | S | . | . | G | 310 helix | trans | -62.1 | -26.4 | 179.7 | 53.8 | 0 | 0 | 0 | 0 | 113.4 | C145 D152 W153 V167 | C145-T150 HydrophobicContact CB-CG2 3.93Å; T150-D152 PolarHBondContact O-N 2.9Å; T150-W153 PolarHBondContact O-N 3.23Å; T150-W153 VanDerWaalsContact O-N 3.11Å; T150-V167 HydrophobicContact CG2-CG1 3.36Å |
| 151 | S | 91.6 | Very high | 92.8 | Very high | 99 Ų | 99 | 59.9 Ų | 59.9 | 69% | 0.692 | 35% | 0.354 | S | S | * | . | G | 310 helix | trans | -62.9 | -19 | 179.3 | 55.6 | 0 | 0 | 0 | 0 | 114.2 | G149 W153 | G149-S151 PolarHBondContact O-N 3.39Å; S151-W153 PolarHBondContact O-N 3.42Å |
| 152 | D | 92.5 | Very high | 92.9 | Very high | 44 Ų | 44 | 53.3 Ų | 53.3 | 24% | 0.235 | 33% | 0.328 | C | S | . | . | G | 310 helix | trans | -68 | -19.4 | 176.9 | -57.8 | -38.4 | 0 | 0 | 0 | 111.8 | I122 I147 N148 G149 T150 T154 | I122-D152 HydrophobicContact CD1-CB 3.77Å; I147-D152 WeakPolarHBondContact CA-OD2 3.45Å; I147-D152 WeakPolarHBondContact CB-OD2 3.39Å; I147-D152 PolarHBondContact N-OD2 3.5Å; N148-D152 PolarHBondContact N-OD2 2.73Å; G149-D152 PolarHBondContact N-OD2 3.33Å; G149-D152 VanDerWaalsContact N-OD2 3.09Å; G149-D152 PolarHBondContact O-N 3.22Å; G149-D152 VanDerWaalsContact O-OD2 3.09Å; T150-D152 PolarHBondContact O-N 2.9Å; D152-T154 PolarHBondContact O-N 3.5Å |
| 153 | W | 92.6 | Very high | 92.6 | Very high | 15 Ų | 15 | 56.1 Ų | 56.1 | 6% | 0.057 | 35% | 0.353 | C | S | . | . | trans | -91.6 | 90.2 | 174.1 | -61.9 | 106.9 | 0 | 0 | 0 | 111.3 | I122 Y125 W135 T150 S151 S155 G156 P157 P158 | I122-W153 HydrophobicContact CD1-CD2 4.03Å; I122-W153 HydrophobicContact CD1-CE3 4.22Å; I122-W153 HydrophobicContact CD1-CH2 3.97Å; I122-W153 HydrophobicContact CD1-CZ2 3.74Å; I122-W153 HydrophobicContact CD1-CZ3 4.2Å; I122-W153 HydrophobicContact CG1-CD2 4.34Å; I122-W153 HydrophobicContact CG1-CE3 4.08Å; I122-W153 HydrophobicContact CG1-CH2 3.36Å; I122-W153 HydrophobicContact CG1-CZ2 3.66Å; I122-W153 HydrophobicContact CG1-CZ3 3.6Å; Y125-W153 AromaticContact CD1-CH2 3.92Å; Y125-W153 HydrophobicContact CD1-CH2 3.92Å; Y125-W153 AromaticContact CD1-CZ3 3.55Å; Y125-W153 HydrophobicContact CD1-CZ3 3.55Å; Y125-W153 AromaticContact CD2-CH2 3.49Å; Y125-W153 HydrophobicContact CD2-CH2 3.49Å; Y125-W153 VanDerWaalsContact CD2-CH2 3.49Å; Y125-W153 HydrophobicContact CD2-CZ2 4.49Å; Y125-W153 HydrophobicContact CD2-CZ3 4Å; Y125-W153 HydrophobicContact CE1-CH2 4.4Å; Y125-W153 HydrophobicContact CE1-CZ3 4.19Å; Y125-W153 HydrophobicContact CE2-CH2 4.02Å; Y125-W153 AromaticContact CG-CH2 3.45Å; Y125-W153 HydrophobicContact CG-CH2 3.45Å; Y125-W153 VanDerWaalsContact CG-CH2 3.45Å; Y125-W153 AromaticContact CG-CZ3 3.46Å; Y125-W153 HydrophobicContact CG-CZ3 3.46Å; Y125-W153 VanDerWaalsContact CG-CZ3 3.46Å; W135-W153 HydrophobicContact CD2-CZ2 4.33Å; W135-W153 HydrophobicContact CE3-CZ2 4.39Å; W135-W153 HydrophobicContact CG-CH2 4.34Å; W135-W153 HydrophobicContact CG-CZ2 4.45Å; T150-W153 PolarHBondContact O-N 3.23Å; T150-W153 VanDerWaalsContact O-N 3.11Å; S151-W153 PolarHBondContact O-N 3.42Å; W153-S155 VanDerWaalsContact C-N 3.25Å; W153-S155 PolarHBondContact O-N 3.25Å; W153-G156 WeakPolarHBondContact CB-O 3.25Å; W153-G156 PolarHBondContact O-N 2.96Å; W153-P157 HydrophobicContact CB-CB 4.39Å; W153-P157 HydrophobicContact CG-CB 4.26Å; W153-P158 HydrophobicContact CZ2-CG 4.11Å | ||
| 154 | T | 89.1 | Confident | 92.3 | Very high | 142 Ų | 142 | 52.2 Ų | 52.2 | 87% | 0.871 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -28.8 | -176.7 | 56.6 | 0 | 0 | 0 | 0 | 114.2 | D152 | D152-T154 PolarHBondContact O-N 3.5Š|
| 155 | S | 88.4 | Confident | 91.4 | Very high | 90 Ų | 90 | 57.7 Ų | 57.7 | 63% | 0.629 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | 12.7 | 175.8 | 54.3 | 0 | 0 | 0 | 0 | 113.9 | W153 | W153-S155 VanDerWaalsContact C-N 3.25Å; W153-S155 PolarHBondContact O-N 3.25Å |
| 156 | G | 89.3 | Confident | 90.8 | Very high | 35 Ų | 35 | 64.4 Ų | 64.4 | 36% | 0.361 | 42% | 0.417 | S | S | . | . | trans | 91.9 | 147.7 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113 | W153 | W153-G156 WeakPolarHBondContact CB-O 3.25Å; W153-G156 PolarHBondContact O-N 2.96Å | ||
| 157 | P | 92.6 | Very high | 90.7 | Very high | 71 Ų | 71 | 65.4 Ų | 65.4 | 46% | 0.461 | 42% | 0.423 | S | S | . | . | trans | -68.9 | 149.5 | -175.1 | 28.8 | -35.3 | 0 | 0 | 0 | 112.5 | W153 C161 | W153-P157 HydrophobicContact CB-CB 4.39Å; W153-P157 HydrophobicContact CG-CB 4.26Å; P157-C161 HydrophobicContact CB-CB 4.16Å | ||
| 158 | P | 93.5 | Very high | 90.7 | Very high | 20 Ų | 20 | 69.8 Ų | 69.8 | 13% | 0.13 | 44% | 0.443 | C | S | . | . | trans | -69.9 | 162.4 | 176.7 | 31.3 | -37.1 | 0 | 0 | 0 | 112.2 | Y125 Q139 W153 S160 C161 | Y125-P158 HydrophobicContact CE1-CB 4.14Å; Y125-P158 WeakPolarHBondContact OH-CB 3.48Å; Q139-P158 VanDerWaalsContact OE1-CG 3.23Å; W153-P158 HydrophobicContact CZ2-CG 4.11Å; P158-S160 WeakPolarHBondContact CG-OG 3.3Å; P158-S160 PolarHBondContact O-N 2.77Å; P158-S160 VanDerWaalsContact O-N 3.12Å; P158-C161 WeakPolarHBondContact O-CB 3.36Å; P158-C161 PolarHBondContact O-N 3.36Å | ||
| 159 | A | 93.1 | Very high | 90.8 | Very high | 112 Ų | 112 | 64.8 Ų | 64.8 | 93% | 0.926 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -17.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | C161 | A159-C161 VanDerWaalsContact C-N 3.28Š|
| 160 | S | 93.5 | Very high | 91 | Very high | 25 Ų | 25 | 64.7 Ų | 64.7 | 18% | 0.175 | 42% | 0.415 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -15.7 | 174.8 | 48.4 | 0 | 0 | 0 | 0 | 113.3 | D136 Q139 P158 | D136-S160 VanDerWaalsContact OD1-CB 3.24Å; D136-S160 WeakPolarHBondContact OD1-CB 3.16Å; D136-S160 PolarHBondContact OD1-OG 2.92Å; Q139-S160 PolarHBondContact OE1-OG 2.91Å; P158-S160 WeakPolarHBondContact CG-OG 3.3Å; P158-S160 PolarHBondContact O-N 2.77Å; P158-S160 VanDerWaalsContact O-N 3.12Å |
| 161 | C | 94.8 | Very high | 91.1 | Very high | 13 Ų | 13 | 64 Ų | 64 | 9% | 0.088 | 41% | 0.406 | C | S | . | . | S | Bend | trans | -76 | 143.5 | 173.1 | -76.5 | 0 | 0 | 0 | 0 | 112 | Q139 C145 P157 P158 A159 | Q139-C161 PolarHBondContact OE1-SG 3.2Å; C145-C161 VanDerWaalsContact CA-SG 3.5Å; C145-C161 HydrophobicContact CB-CB 3.73Å; C145-C161 WeakPolarHBondContact CB-SG 3.37Å; C145-C161 WeakPolarHBondContact SG-CB 3.14Å; C145-C161 CovalentContact SG-SG 2.04Å; C145-C161 PolarHBondContact SG-SG 3.32Å; P157-C161 HydrophobicContact CB-CB 4.16Å; P158-C161 WeakPolarHBondContact O-CB 3.36Å; P158-C161 PolarHBondContact O-N 3.36Å; A159-C161 VanDerWaalsContact C-N 3.28Å |
| 162 | P | 93.2 | Very high | 91.3 | Very high | 34 Ų | 34 | 60.7 Ų | 60.7 | 22% | 0.221 | 39% | 0.385 | C | S | . | . | trans | -58 | 143.9 | 166.4 | -22 | 32.8 | 0 | 0 | 0 | 112.1 | R143 C144 D164 V167 | R143-P162 HydrophobicContact CB-CG 4.2Å; C144-P162 WeakPolarHBondContact O-CD 3.38Å; P162-D164 PolarHBondContact O-N 3.28Å; P162-V167 HydrophobicContact CB-CG2 4.06Å; P162-V167 HydrophobicContact CG-CG2 3.85Å | ||
| 163 | S | 88.2 | Confident | 91.4 | Very high | 128 Ų | 128 | 62 Ų | 62 | 90% | 0.895 | 39% | 0.388 | S | S | * | . | trans | -80.7 | 5.7 | 178.1 | -47.1 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 164 | D | 87.8 | Confident | 91.5 | Very high | 92 Ų | 92 | 63.5 Ų | 63.5 | 49% | 0.492 | 40% | 0.404 | S | S | . | . | trans | -70.3 | 125.6 | 178.8 | -169.8 | -33.3 | 0 | 0 | 0 | 110.1 | P162 N166 V167 | P162-D164 PolarHBondContact O-N 3.28Å; D164-N166 PolarHBondContact O-N 3.48Å; D164-N166 PolarHBondContact OD1-N 3.37Å; D164-V167 HydrophobicContact CB-CB 4.45Å; D164-V167 WeakPolarHBondContact O-CB 3.37Å; D164-V167 WeakPolarHBondContact O-CG1 3.07Å; D164-V167 PolarHBondContact O-N 3.5Å | ||
| 165 | P | 76.5 | Confident | 91.7 | Very high | 115 Ų | 115 | 62 Ų | 62 | 75% | 0.747 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -21.2 | 179.7 | 23.2 | -32.9 | 0 | 0 | 0 | 114.2 | ||
| 166 | N | 83.7 | Confident | 92 | Very high | 142 Ų | 142 | 62.6 Ų | 62.6 | 76% | 0.759 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.5 | 23.9 | 179.2 | -63.6 | -42.9 | 0 | 0 | 0 | 112.8 | D164 E168 | D164-N166 PolarHBondContact O-N 3.48Å; D164-N166 PolarHBondContact OD1-N 3.37Å; N166-E168 PolarHBondContact O-N 2.85Å |
| 167 | V | 92.5 | Very high | 92.2 | Very high | 20 Ų | 20 | 68.6 Ų | 68.6 | 12% | 0.121 | 39% | 0.39 | C | S | . | . | P | Polyproline II helix | trans | -61.8 | 129.7 | 178.9 | 66.7 | 0 | 0 | 0 | 0 | 111.6 | C145 T150 P162 D164 | C145-V167 HydrophobicContact CB-CG1 3.73Å; C145-V167 HydrophobicContact CB-CG2 4.27Å; T150-V167 HydrophobicContact CG2-CG1 3.36Å; P162-V167 HydrophobicContact CB-CG2 4.06Å; P162-V167 HydrophobicContact CG-CG2 3.85Å; D164-V167 HydrophobicContact CB-CB 4.45Å; D164-V167 WeakPolarHBondContact O-CB 3.37Å; D164-V167 WeakPolarHBondContact O-CG1 3.07Å; D164-V167 PolarHBondContact O-N 3.5Å |
| 168 | E | 94.5 | Very high | 92.2 | Very high | 100 Ų | 100 | 68.5 Ų | 68.5 | 47% | 0.467 | 38% | 0.383 | S | S | . | . | P | Polyproline II helix | trans | -71.8 | 151.5 | 178.2 | -65.7 | 179.5 | 176.6 | 0 | 0 | 112.6 | C144 C145 N166 K173 | C144-E168 WeakPolarHBondContact CA-O 2.97Å; C144-E168 WeakPolarHBondContact CB-O 3.33Å; C145-E168 PolarHBondContact N-O 2.84Å; N166-E168 PolarHBondContact O-N 2.85Å; E168-K173 HydrophobicContact CB-CB 4.47Å |
| 169 | G | 95.4 | Very high | 92.2 | Very high | 1 Ų | 1 | 71.6 Ų | 71.6 | 1% | 0.01 | 40% | 0.395 | C | S | . | . | P | Polyproline II helix | trans | -60.1 | 141.4 | 168.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | C145 I147 N148 Y171 A172 K173 | C145-G169 WeakPolarHBondContact O-CA 3.34Å; I147-G169 CarbonylContact O-C 3.31Å; I147-G169 VanDerWaalsContact O-C 3.31Å; I147-G169 VanDerWaalsContact O-CA 3.3Å; I147-G169 WeakPolarHBondContact O-CA 3.34Å; N148-G169 WeakPolarHBondContact O-CA 3.4Å; N148-G169 PolarHBondContact O-N 3.01Å; G169-Y171 PolarHBondContact O-N 3.37Å; G169-A172 PolarHBondContact O-N 3.14Å; G169-K173 WeakPolarHBondContact O-CB 3.2Å; G169-K173 PolarHBondContact O-N 2.88Å |
| 170 | C | 95.9 | Very high | 92.3 | Very high | 6 Ų | 6 | 71 Ų | 71 | 4% | 0.041 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -64.3 | -41.7 | -179.7 | -64.8 | 0 | 0 | 0 | 0 | 112.9 | I138 C144 G146 I147 A174 | I138-C170 HydrophobicContact CG2-CB 4.21Å; C144-C170 HydrophobicContact CB-CB 3.87Å; C144-C170 WeakPolarHBondContact CB-SG 3.47Å; C144-C170 WeakPolarHBondContact SG-CA 3.39Å; C144-C170 WeakPolarHBondContact SG-CB 3.41Å; C144-C170 CovalentContact SG-SG 2.03Å; C144-C170 PolarHBondContact SG-SG 3.18Å; G146-C170 WeakPolarHBondContact O-CB 3.4Å; G146-C170 PolarHBondContact O-N 2.91Å; I147-C170 PolarHBondContact O-N 2.98Å; C170-A174 WeakPolarHBondContact O-CB 3.23Å; C170-A174 PolarHBondContact O-N 3.2Å |
| 171 | Y | 95.1 | Very high | 92.4 | Very high | 40 Ų | 40 | 71.8 Ų | 71.8 | 16% | 0.157 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -72.7 | -41.7 | 178.2 | 178.9 | -114.7 | 0 | 0 | 0 | 111.4 | N111 V114 A115 L118 I147 G169 K173 A174 R175 | N111-Y171 WeakPolarHBondContact CA-OH 3.38Å; N111-Y171 PolarHBondContact OD1-OH 3.47Å; V114-Y171 HydrophobicContact CB-CE2 4.3Å; V114-Y171 HydrophobicContact CG1-CD2 4.13Å; V114-Y171 HydrophobicContact CG1-CE2 3.56Å; A115-Y171 HydrophobicContact CB-CE1 4.37Å; L118-Y171 HydrophobicContact CD1-CD1 4.43Å; L118-Y171 HydrophobicContact CD1-CD2 3.61Å; L118-Y171 HydrophobicContact CD1-CE2 4.37Å; L118-Y171 HydrophobicContact CD1-CG 3.66Å; I147-Y171 HydrophobicContact CG2-CD1 3.99Å; I147-Y171 HydrophobicContact CG2-CG 4.19Å; I147-Y171 WeakPolarHBondContact O-CB 3.48Å; I147-Y171 PolarHBondContact O-N 3.47Å; G169-Y171 PolarHBondContact O-N 3.37Å; Y171-K173 PolarHBondContact O-N 3.27Å; Y171-A174 PolarHBondContact O-N 3.36Å; Y171-R175 WeakPolarHBondContact O-CB 3.35Å; Y171-R175 PolarHBondContact O-N 2.96Å |
| 172 | A | 94.6 | Very high | 92.4 | Very high | 29 Ų | 29 | 75.1 Ų | 75.1 | 24% | 0.24 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -56.8 | -48.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | I147 G169 R175 L176 | I147-A172 PolarHBondContact O-N 2.89Å; G169-A172 PolarHBondContact O-N 3.14Å; A172-R175 PolarHBondContact O-N 2.95Å; A172-L176 WeakPolarHBondContact O-CB 3.38Å; A172-L176 VanDerWaalsContact O-CG 3.29Å; A172-L176 WeakPolarHBondContact O-CG 3.36Å; A172-L176 PolarHBondContact O-N 3.43Å |
| 173 | K | 95.1 | Very high | 92.5 | Very high | 71 Ų | 71 | 79 Ų | 79 | 31% | 0.309 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -62.2 | -43.4 | 177.6 | -169.9 | 173.7 | -166.4 | 174.9 | 0 | 112.5 | L142 R143 C144 E168 G169 Y171 L176 W177 | L142-K173 PolarHBondContact O-NZ 3.37Å; R143-K173 PolarHBondContact O-NZ 3Å; R143-K173 VanDerWaalsContact O-NZ 3.12Å; C144-K173 HydrophobicContact CB-CD 4.15Å; E168-K173 HydrophobicContact CB-CB 4.47Å; G169-K173 WeakPolarHBondContact O-CB 3.2Å; G169-K173 PolarHBondContact O-N 2.88Å; Y171-K173 PolarHBondContact O-N 3.27Å; K173-L176 PolarHBondContact O-N 2.88Å; K173-W177 WeakPolarHBondContact O-CB 3.13Å; K173-W177 PolarHBondContact O-N 3.36Å |
| 174 | A | 94.4 | Very high | 92.8 | Very high | 47 Ų | 47 | 80.3 Ų | 80.3 | 39% | 0.388 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -62.9 | -43.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | C170 Y171 W177 F178 | C170-A174 WeakPolarHBondContact O-CB 3.23Å; C170-A174 PolarHBondContact O-N 3.2Å; Y171-A174 PolarHBondContact O-N 3.36Å; A174-W177 PolarHBondContact O-N 2.87Å; A174-F178 WeakPolarHBondContact O-CB 3.4Å; A174-F178 PolarHBondContact O-N 3.11Å |
| 175 | R | 93.4 | Very high | 93.1 | Very high | 110 Ų | 110 | 78.1 Ų | 78.1 | 42% | 0.415 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -64.6 | -45.2 | 176.8 | -179.8 | 173.5 | 180 | -141.3 | 3.9 | 111.7 | E107 Y171 A172 W177 F178 H179 | E107-R175 IonicContact OE1-CZ 2.67Å; E107-R175 IonicContact OE1-NE 3.96Å; E107-R175 IonicContact OE1-NH2 2.75Å; E107-R175 PolarHBondContact OE1-NH2 2.94Å; E107-R175 VanDerWaalsContact OE1-NH2 3.08Å; Y171-R175 WeakPolarHBondContact O-CB 3.35Å; Y171-R175 PolarHBondContact O-N 2.96Å; A172-R175 PolarHBondContact O-N 2.95Å; R175-W177 VanDerWaalsContact C-N 3.34Å; R175-W177 PolarHBondContact O-N 3.16Å; R175-F178 PolarHBondContact O-N 2.94Å; R175-H179 PolarHBondContact NE-NE2 3.28Å; R175-H179 PolarHBondContact O-CD2 3.32Å; R175-H179 VanDerWaalsContact O-CD2 3.26Å; R175-H179 PolarHBondContact O-N 3.1Å |
| 176 | L | 94.1 | Very high | 94 | Very high | 104 Ų | 104 | 73.8 Ų | 73.8 | 55% | 0.545 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61.6 | -43.1 | 176.3 | -74.5 | 171.6 | 0 | 0 | 0 | 111.5 | A172 K173 F178 H179 S180 | A172-L176 WeakPolarHBondContact O-CB 3.38Å; A172-L176 VanDerWaalsContact O-CG 3.29Å; A172-L176 WeakPolarHBondContact O-CG 3.36Å; A172-L176 PolarHBondContact O-N 3.43Å; K173-L176 PolarHBondContact O-N 2.88Å; L176-F178 VanDerWaalsContact C-N 3.33Å; L176-F178 PolarHBondContact O-N 2.68Å; L176-H179 PolarHBondContact O-N 3.35Å; L176-S180 VanDerWaalsContact O-CB 3.23Å; L176-S180 WeakPolarHBondContact O-CB 3.36Å; L176-S180 PolarHBondContact O-N 3.48Å |
| 177 | W | 94.9 | Very high | 94.6 | Very high | 160 Ų | 160 | 71.2 Ų | 71.2 | 61% | 0.606 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -60.3 | -44.2 | 174.8 | -178 | 89.3 | 0 | 0 | 0 | 111.4 | K173 A174 R175 S180 N181 I185 | K173-W177 WeakPolarHBondContact O-CB 3.13Å; K173-W177 PolarHBondContact O-N 3.36Å; A174-W177 PolarHBondContact O-N 2.87Å; R175-W177 VanDerWaalsContact C-N 3.34Å; R175-W177 PolarHBondContact O-N 3.16Å; W177-S180 PolarHBondContact O-N 3Å; W177-N181 PolarHBondContact NE1-ND2 3.3Å; W177-N181 WeakPolarHBondContact O-CB 3.38Å; W177-N181 PolarHBondContact O-N 2.03Å; W177-N181 PolarHBondContact O-ND2 3.27Å; W177-I185 HydrophobicContact CZ3-CD1 4.14Å |
| 178 | F | 92.8 | Very high | 94.8 | Very high | 69 Ų | 69 | 75.6 Ų | 75.6 | 30% | 0.303 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -61.3 | -48.4 | 177 | -178.2 | -95.9 | 0 | 0 | 0 | 112 | L103 A174 R175 L176 N181 F182 I185 | L103-F178 HydrophobicContact CD2-CE1 4.26Å; L103-F178 HydrophobicContact CD2-CZ 4.17Å; A174-F178 WeakPolarHBondContact O-CB 3.4Å; A174-F178 PolarHBondContact O-N 3.11Å; R175-F178 PolarHBondContact O-N 2.94Å; L176-F178 VanDerWaalsContact C-N 3.33Å; L176-F178 PolarHBondContact O-N 2.68Å; F178-N181 CarbonylContact O-C 3.16Å; F178-N181 PolarHBondContact O-N 3.18Å; F178-F182 HydrophobicContact CE1-CD2 4.15Å; F178-F182 HydrophobicContact CZ-CD2 4.39Å; F178-F182 WeakPolarHBondContact O-CA 3.39Å; F178-F182 PolarHBondContact O-N 3.09Å; F178-I185 HydrophobicContact CD2-CD1 3.55Å; F178-I185 HydrophobicContact CE2-CD1 3.74Å; F178-I185 HydrophobicContact CG-CD1 4.42Å |
| 179 | H | 93 | Very high | 94.8 | Very high | 86 Ų | 86 | 73.7 Ų | 73.7 | 40% | 0.398 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -64.2 | -42.4 | 177.1 | -80.2 | -75.9 | 0 | 0 | 0 | 112.4 | E107 R175 L176 N181 F182 | E107-H179 IonicContact OE1-CE1 3.59Å; E107-H179 IonicContact OE1-NE2 3.49Å; E107-H179 PolarHBondContact OE1-NE2 3.48Å; R175-H179 PolarHBondContact NE-NE2 3.28Å; R175-H179 PolarHBondContact O-CD2 3.32Å; R175-H179 VanDerWaalsContact O-CD2 3.26Å; R175-H179 PolarHBondContact O-N 3.1Å; L176-H179 PolarHBondContact O-N 3.35Å; H179-N181 VanDerWaalsContact C-N 3.27Å; H179-N181 PolarHBondContact O-N 3.12Å; H179-F182 VanDerWaalsContact O-CB 3.25Å; H179-F182 WeakPolarHBondContact O-CB 3.42Å; H179-F182 PolarHBondContact O-N 2.79Å |
| 180 | S | 95.7 | Very high | 94.8 | Very high | 98 Ų | 98 | 78.9 Ų | 78.9 | 69% | 0.685 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -66.6 | -30.2 | -179.9 | -173.5 | 0 | 0 | 0 | 0 | 112.6 | L176 W177 | L176-S180 VanDerWaalsContact O-CB 3.23Å; L176-S180 WeakPolarHBondContact O-CB 3.36Å; L176-S180 PolarHBondContact O-N 3.48Å; W177-S180 PolarHBondContact O-N 3Å |
| 181 | N | 95.8 | Very high | 94.9 | Very high | 42 Ų | 42 | 81.9 Ų | 81.9 | 23% | 0.225 | 42% | 0.417 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | 11.5 | -179.1 | -65 | -80.4 | 0 | 0 | 0 | 112.8 | W177 F178 H179 L183 Y184 I185 | W177-N181 PolarHBondContact NE1-ND2 3.3Å; W177-N181 WeakPolarHBondContact O-CB 3.38Å; W177-N181 PolarHBondContact O-N 2.03Å; W177-N181 PolarHBondContact O-ND2 3.27Å; F178-N181 CarbonylContact O-C 3.16Å; F178-N181 PolarHBondContact O-N 3.18Å; H179-N181 VanDerWaalsContact C-N 3.27Å; H179-N181 PolarHBondContact O-N 3.12Å; N181-L183 PolarHBondContact O-N 2.72Å; N181-Y184 PolarHBondContact O-N 2.85Å; N181-I185 WeakPolarHBondContact O-CG1 3.45Å; N181-I185 PolarHBondContact O-N 3.35Å |
| 182 | F | 93.2 | Very high | 94.9 | Very high | 83 Ų | 83 | 82.8 Ų | 82.8 | 36% | 0.364 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -54.2 | -41 | -174.6 | 177.8 | -99.3 | 0 | 0 | 0 | 112.8 | F104 F178 H179 I185 G186 | F104-F182 HydrophobicContact CE1-CE1 4.46Å; F104-F182 AromaticContact CE1-CE2 3.29Å; F104-F182 HydrophobicContact CE1-CE2 3.29Å; F104-F182 AromaticContact CE1-CZ 3.26Å; F104-F182 HydrophobicContact CE1-CZ 3.26Å; F104-F182 HydrophobicContact CE2-CZ 4.47Å; F104-F182 AromaticContact CZ-CE2 3.26Å; F104-F182 HydrophobicContact CZ-CE2 3.26Å; F104-F182 AromaticContact CZ-CZ 3.19Å; F104-F182 HydrophobicContact CZ-CZ 3.19Å; F178-F182 HydrophobicContact CE1-CD2 4.15Å; F178-F182 HydrophobicContact CZ-CD2 4.39Å; F178-F182 WeakPolarHBondContact O-CA 3.39Å; F178-F182 PolarHBondContact O-N 3.09Å; H179-F182 VanDerWaalsContact O-CB 3.25Å; H179-F182 WeakPolarHBondContact O-CB 3.42Å; H179-F182 PolarHBondContact O-N 2.79Å; F182-I185 PolarHBondContact O-N 3.4Å; F182-G186 PolarHBondContact O-N 3.15Å |
| 183 | L | 95.2 | Very high | 95 | Very high | 117 Ų | 117 | 82.7 Ų | 82.7 | 61% | 0.613 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -63 | -43.1 | 177.5 | -176.4 | 147.7 | 0 | 0 | 0 | 112.2 | N181 G186 I187 | N181-L183 PolarHBondContact O-N 2.72Å; L183-G186 PolarHBondContact O-N 3.18Å; L183-I187 HydrophobicContact CD2-CD1 3.53Å; L183-I187 HydrophobicContact CD2-CG1 4.4Å; L183-I187 HydrophobicContact CG-CD1 4.41Å; L183-I187 WeakPolarHBondContact O-CG1 3.47Å; L183-I187 PolarHBondContact O-N 3.22Å |
| 184 | Y | 95.9 | Very high | 95.1 | Very high | 154 Ų | 154 | 83 Ų | 83 | 60% | 0.604 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -65.9 | -43.4 | 178.1 | -68.9 | -75.1 | 0 | 0 | 0 | 111.7 | N181 G186 I187 I188 | N181-Y184 PolarHBondContact O-N 2.85Å; Y184-G186 VanDerWaalsContact C-N 3.33Å; Y184-G186 PolarHBondContact O-N 3.44Å; Y184-I187 PolarHBondContact O-N 3.44Å; Y184-I188 WeakPolarHBondContact O-CG1 3.37Å; Y184-I188 PolarHBondContact O-N 3.06Å |
| 185 | I | 94.5 | Very high | 95.2 | Very high | 47 Ų | 47 | 84.7 Ų | 84.7 | 24% | 0.241 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -60.8 | -45.9 | 176.3 | -61.8 | 168 | 0 | 0 | 0 | 109.6 | W177 F178 N181 F182 I187 I188 T189 | W177-I185 HydrophobicContact CZ3-CD1 4.14Å; F178-I185 HydrophobicContact CD2-CD1 3.55Å; F178-I185 HydrophobicContact CE2-CD1 3.74Å; F178-I185 HydrophobicContact CG-CD1 4.42Å; N181-I185 WeakPolarHBondContact O-CG1 3.45Å; N181-I185 PolarHBondContact O-N 3.35Å; F182-I185 PolarHBondContact O-N 3.4Å; I185-I187 PolarHBondContact O-N 3.44Å; I185-I188 PolarHBondContact O-N 3.06Å; I185-T189 PolarHBondContact O-N 3.25Å; I185-T189 PolarHBondContact O-OG1 2.88Å; I185-T189 VanDerWaalsContact O-OG1 3.1Å |
| 186 | G | 94.5 | Very high | 95.4 | Very high | 24 Ų | 24 | 80.4 Ų | 80.4 | 25% | 0.247 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -58.7 | -43.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | F182 L183 Y184 T189 I190 | F182-G186 PolarHBondContact O-N 3.15Å; L183-G186 PolarHBondContact O-N 3.18Å; Y184-G186 VanDerWaalsContact C-N 3.33Å; Y184-G186 PolarHBondContact O-N 3.44Å; G186-T189 PolarHBondContact O-N 2.87Å; G186-I190 VanDerWaalsContact O-CG1 3.25Å; G186-I190 WeakPolarHBondContact O-CG1 3.46Å; G186-I190 PolarHBondContact O-N 3.4Å |
| 187 | I | 96.4 | Very high | 95.6 | Very high | 88 Ų | 88 | 78.6 Ų | 78.6 | 45% | 0.451 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -61.4 | -46.2 | 175.4 | -69.2 | 170 | 0 | 0 | 0 | 110.9 | L183 Y184 I185 T189 I190 C191 | L183-I187 HydrophobicContact CD2-CD1 3.53Å; L183-I187 HydrophobicContact CD2-CG1 4.4Å; L183-I187 HydrophobicContact CG-CD1 4.41Å; L183-I187 WeakPolarHBondContact O-CG1 3.47Å; L183-I187 PolarHBondContact O-N 3.22Å; Y184-I187 PolarHBondContact O-N 3.44Å; I185-I187 PolarHBondContact O-N 3.44Å; I187-T189 PolarHBondContact O-N 2.89Å; I187-I190 PolarHBondContact O-N 3.44Å; I187-C191 WeakPolarHBondContact O-CB 3.4Å; I187-C191 PolarHBondContact O-N 3.46Å; I187-C191 PolarHBondContact O-SG 2.84Å |
| 188 | I | 95.9 | Very high | 95.7 | Very high | 112 Ų | 112 | 74.8 Ų | 74.8 | 57% | 0.574 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -60.5 | -47 | 178.9 | -67.9 | 167.1 | 0 | 0 | 0 | 110.3 | Y184 I185 I190 C191 V192 | Y184-I188 WeakPolarHBondContact O-CG1 3.37Å; Y184-I188 PolarHBondContact O-N 3.06Å; I185-I188 PolarHBondContact O-N 3.06Å; I188-I190 PolarHBondContact O-N 3.28Å; I188-C191 WeakPolarHBondContact O-CB 3.34Å; I188-C191 PolarHBondContact O-N 2.98Å; I188-V192 WeakPolarHBondContact O-CG2 3.45Å; I188-V192 PolarHBondContact O-N 3.28Å |
| 189 | T | 94.9 | Very high | 95.8 | Very high | 60 Ų | 60 | 72.1 Ų | 72.1 | 37% | 0.368 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -59 | -47.7 | 177.5 | -58.9 | 0 | 0 | 0 | 0 | 111.4 | I185 G186 I187 C191 V192 C193 | I185-T189 PolarHBondContact O-N 3.25Å; I185-T189 PolarHBondContact O-OG1 2.88Å; I185-T189 VanDerWaalsContact O-OG1 3.1Å; G186-T189 PolarHBondContact O-N 2.87Å; I187-T189 PolarHBondContact O-N 2.89Å; T189-C191 VanDerWaalsContact C-N 3.33Å; T189-C191 PolarHBondContact O-N 3.07Å; T189-V192 PolarHBondContact O-N 3.33Å; T189-C193 PolarHBondContact O-N 3.28Å; T189-C193 PolarHBondContact O-SG 2.92Å |
| 190 | I | 96.4 | Very high | 96 | Very high | 110 Ų | 110 | 68.7 Ų | 68.7 | 56% | 0.564 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -61.1 | -42.1 | 178.3 | -67.3 | 164.8 | 0 | 0 | 0 | 111.2 | G186 I187 I188 V192 C193 V194 | G186-I190 VanDerWaalsContact O-CG1 3.25Å; G186-I190 WeakPolarHBondContact O-CG1 3.46Å; G186-I190 PolarHBondContact O-N 3.4Å; I187-I190 PolarHBondContact O-N 3.44Å; I188-I190 PolarHBondContact O-N 3.28Å; I190-V192 VanDerWaalsContact C-N 3.33Å; I190-V192 PolarHBondContact O-N 2.59Å; I190-C193 PolarHBondContact O-N 2.88Å; I190-V194 HydrophobicContact CG2-CG2 4.34Å; I190-V194 VanDerWaalsContact O-CG2 3.3Å; I190-V194 WeakPolarHBondContact O-CG2 3.2Å; I190-V194 PolarHBondContact O-N 3.18Å |
| 191 | C | 97 | Very high | 96 | Very high | 69 Ų | 69 | 66.5 Ų | 66.5 | 47% | 0.466 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -59.7 | -43.3 | 176.2 | -74.2 | 0 | 0 | 0 | 0 | 112.1 | I187 I188 T189 V194 I195 | I187-C191 WeakPolarHBondContact O-CB 3.4Å; I187-C191 PolarHBondContact O-N 3.46Å; I187-C191 PolarHBondContact O-SG 2.84Å; I188-C191 WeakPolarHBondContact O-CB 3.34Å; I188-C191 PolarHBondContact O-N 2.98Å; T189-C191 VanDerWaalsContact C-N 3.33Å; T189-C191 PolarHBondContact O-N 3.07Å; C191-V194 PolarHBondContact O-N 3.25Å; C191-I195 VanDerWaalsContact O-CG1 3.31Å; C191-I195 WeakPolarHBondContact O-CG1 3.48Å; C191-I195 PolarHBondContact O-N 3.14Å |
| 192 | V | 95.8 | Very high | 95.9 | Very high | 58 Ų | 58 | 67.6 Ų | 67.6 | 35% | 0.352 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -62.2 | -50.2 | 175.8 | 173.5 | 0 | 0 | 0 | 0 | 110.4 | I188 T189 I190 V194 I195 E196 | I188-V192 WeakPolarHBondContact O-CG2 3.45Å; I188-V192 PolarHBondContact O-N 3.28Å; T189-V192 PolarHBondContact O-N 3.33Å; I190-V192 VanDerWaalsContact C-N 3.33Å; I190-V192 PolarHBondContact O-N 2.59Å; V192-V194 VanDerWaalsContact C-N 3.29Å; V192-V194 PolarHBondContact O-N 2.94Å; V192-I195 WeakPolarHBondContact O-CB 3.2Å; V192-I195 PolarHBondContact O-N 3.27Å; V192-E196 HydrophobicContact CG1-CG 4.47Å; V192-E196 WeakPolarHBondContact O-CG 3.05Å; V192-E196 PolarHBondContact O-N 3Å |
| 193 | C | 97 | Very high | 96 | Very high | 27 Ų | 27 | 63.7 Ų | 63.7 | 18% | 0.182 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -59.3 | -38.6 | 178.9 | -59.2 | 0 | 0 | 0 | 0 | 112.4 | L93 E96 T189 I190 E196 V197 | L93-C193 HydrophobicContact CD1-CB 3.9Å; E96-C193 PolarHBondContact OE2-SG 3.19Å; T189-C193 PolarHBondContact O-N 3.28Å; T189-C193 PolarHBondContact O-SG 2.92Å; I190-C193 PolarHBondContact O-N 2.88Å; C193-E196 PolarHBondContact O-N 3.46Å; C193-V197 VanDerWaalsContact O-CG2 3.29Å; C193-V197 WeakPolarHBondContact O-CG2 3.02Å; C193-V197 PolarHBondContact O-N 2.97Å |
| 194 | V | 97.3 | Very high | 95.9 | Very high | 78 Ų | 78 | 61.2 Ų | 61.2 | 47% | 0.473 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -63.9 | -43.3 | 175.7 | 169.3 | 0 | 0 | 0 | 0 | 111 | I190 C191 V192 E196 V197 L198 | I190-V194 HydrophobicContact CG2-CG2 4.34Å; I190-V194 VanDerWaalsContact O-CG2 3.3Å; I190-V194 WeakPolarHBondContact O-CG2 3.2Å; I190-V194 PolarHBondContact O-N 3.18Å; C191-V194 PolarHBondContact O-N 3.25Å; V192-V194 VanDerWaalsContact C-N 3.29Å; V192-V194 PolarHBondContact O-N 2.94Å; V194-E196 VanDerWaalsContact C-N 3.33Å; V194-E196 PolarHBondContact O-N 2.88Å; V194-V197 PolarHBondContact O-N 3.11Å; V194-L198 HydrophobicContact CG1-CD1 4.01Å; V194-L198 HydrophobicContact CG1-CG 4.42Å; V194-L198 WeakPolarHBondContact O-CB 3.49Å; V194-L198 VanDerWaalsContact O-CG 3.26Å; V194-L198 WeakPolarHBondContact O-CG 3.27Å; V194-L198 PolarHBondContact O-N 2.91Å |
| 195 | I | 96.6 | Very high | 95.7 | Very high | 83 Ų | 83 | 57 Ų | 57 | 43% | 0.426 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61.2 | -42.8 | 176 | -70.5 | 167.2 | 0 | 0 | 0 | 110.8 | F20 C191 V192 L198 G199 | F20-I195 HydrophobicContact CE2-CG2 3.87Å; F20-I195 HydrophobicContact CZ-CG2 3.72Å; C191-I195 VanDerWaalsContact O-CG1 3.31Å; C191-I195 WeakPolarHBondContact O-CG1 3.48Å; C191-I195 PolarHBondContact O-N 3.14Å; V192-I195 WeakPolarHBondContact O-CB 3.2Å; V192-I195 PolarHBondContact O-N 3.27Å; I195-L198 PolarHBondContact O-N 3.46Å; I195-G199 PolarHBondContact O-N 2.04Å |
| 196 | E | 97.2 | Very high | 95.5 | Very high | 20 Ų | 20 | 54.8 Ų | 54.8 | 9% | 0.093 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62 | -47.5 | 176.6 | -68.2 | -166.7 | 140.8 | 0 | 0 | 112.2 | L89 I92 V192 C193 V194 L198 G199 M200 | L89-E196 HydrophobicContact CD2-CB 4.46Å; L89-E196 HydrophobicContact CD2-CG 4.17Å; I92-E196 WeakPolarHBondContact CG2-OE1 3.1Å; V192-E196 HydrophobicContact CG1-CG 4.47Å; V192-E196 WeakPolarHBondContact O-CG 3.05Å; V192-E196 PolarHBondContact O-N 3Å; C193-E196 PolarHBondContact O-N 3.46Å; V194-E196 VanDerWaalsContact C-N 3.33Å; V194-E196 PolarHBondContact O-N 2.88Å; E196-L198 VanDerWaalsContact C-N 3.31Å; E196-L198 PolarHBondContact O-N 3.34Å; E196-G199 WeakPolarHBondContact O-CA 3.29Å; E196-G199 PolarHBondContact O-N 3.19Å; E196-G199 VanDerWaalsContact O-N 3.13Å; E196-M200 HydrophobicContact CB-CE 4.43Å; E196-M200 WeakPolarHBondContact O-CG 3.39Å; E196-M200 PolarHBondContact O-N 2.95Å |
| 197 | V | 97.5 | Very high | 95.4 | Very high | 65 Ų | 65 | 54.7 Ų | 54.7 | 39% | 0.394 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -62.8 | -38.5 | 178.6 | 172.3 | 0 | 0 | 0 | 0 | 111.6 | L93 C193 V194 M200 S201 | L93-V197 HydrophobicContact CD2-CG2 3.85Å; C193-V197 VanDerWaalsContact O-CG2 3.29Å; C193-V197 WeakPolarHBondContact O-CG2 3.02Å; C193-V197 PolarHBondContact O-N 2.97Å; V194-V197 PolarHBondContact O-N 3.11Å; V197-M200 HydrophobicContact CB-CE 4.36Å; V197-M200 HydrophobicContact CG2-CE 3.89Å; V197-M200 PolarHBondContact O-N 3.15Å; V197-S201 WeakPolarHBondContact O-CB 3.2Å; V197-S201 PolarHBondContact O-N 3.1Å; V197-S201 PolarHBondContact O-OG 3Å |
| 198 | L | 96.4 | Very high | 95 | Very high | 81 Ų | 81 | 54 Ų | 54 | 42% | 0.424 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -64 | -44.5 | 172.7 | -72.9 | 173.2 | 0 | 0 | 0 | 111.3 | V194 I195 E196 M200 S201 F202 | V194-L198 HydrophobicContact CG1-CD1 4.01Å; V194-L198 HydrophobicContact CG1-CG 4.42Å; V194-L198 WeakPolarHBondContact O-CB 3.49Å; V194-L198 VanDerWaalsContact O-CG 3.26Å; V194-L198 WeakPolarHBondContact O-CG 3.27Å; V194-L198 PolarHBondContact O-N 2.91Å; I195-L198 PolarHBondContact O-N 3.46Å; E196-L198 VanDerWaalsContact C-N 3.31Å; E196-L198 PolarHBondContact O-N 3.34Å; L198-M200 VanDerWaalsContact C-N 3.34Å; L198-M200 PolarHBondContact O-N 2.97Å; L198-S201 PolarHBondContact O-N 3.24Å; L198-F202 WeakPolarHBondContact O-CB 3.03Å; L198-F202 WeakPolarHBondContact O-CD2 3.31Å; L198-F202 WeakPolarHBondContact O-CG 3.48Å; L198-F202 PolarHBondContact O-N 3.4Å |
| 199 | G | 95.8 | Very high | 94.6 | Very high | 13 Ų | 13 | 50.7 Ų | 50.7 | 13% | 0.134 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -56.7 | -46.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | I195 E196 F202 A203 | I195-G199 PolarHBondContact O-N 2.04Å; E196-G199 WeakPolarHBondContact O-CA 3.29Å; E196-G199 PolarHBondContact O-N 3.19Å; E196-G199 VanDerWaalsContact O-N 3.13Å; G199-F202 PolarHBondContact O-N 3.39Å; G199-A203 WeakPolarHBondContact O-CB 3.32Å; G199-A203 PolarHBondContact O-N 2.89Å |
| 200 | M | 97.1 | Very high | 94.1 | Very high | 13 Ų | 13 | 48.8 Ų | 48.8 | 6% | 0.064 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.3 | -46.9 | 175.1 | -76.9 | -172.5 | -81.6 | 0 | 0 | 112.4 | F86 L89 L90 L93 E196 V197 L198 F202 A203 L204 | F86-M200 HydrophobicContact CD2-CB 3.74Å; F86-M200 HydrophobicContact CD2-CG 3.75Å; F86-M200 HydrophobicContact CD2-SD 4.31Å; F86-M200 HydrophobicContact CE2-CB 3.83Å; F86-M200 HydrophobicContact CE2-CG 3.97Å; F86-M200 HydrophobicContact CE2-SD 4.04Å; L89-M200 HydrophobicContact CB-CG 3.65Å; L89-M200 HydrophobicContact CB-SD 4.12Å; L89-M200 HydrophobicContact CD1-CG 3.95Å; L89-M200 HydrophobicContact CG-CG 4.49Å; L90-M200 HydrophobicContact CB-SD 4.06Å; L90-M200 HydrophobicContact CD1-SD 4.37Å; L93-M200 HydrophobicContact CB-CE 4.3Å; L93-M200 HydrophobicContact CD2-CE 3.53Å; L93-M200 HydrophobicContact CG-CE 4.49Å; E196-M200 HydrophobicContact CB-CE 4.43Å; E196-M200 WeakPolarHBondContact O-CG 3.39Å; E196-M200 PolarHBondContact O-N 2.95Å; V197-M200 HydrophobicContact CB-CE 4.36Å; V197-M200 HydrophobicContact CG2-CE 3.89Å; V197-M200 PolarHBondContact O-N 3.15Å; L198-M200 VanDerWaalsContact C-N 3.34Å; L198-M200 PolarHBondContact O-N 2.97Å; M200-F202 VanDerWaalsContact C-N 3.32Å; M200-F202 PolarHBondContact O-N 3.01Å; M200-A203 PolarHBondContact O-N 3.23Å; M200-L204 PolarHBondContact O-N 3.12Å |
| 201 | S | 95.4 | Very high | 93.5 | Very high | 52 Ų | 52 | 46.7 Ų | 46.7 | 36% | 0.364 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -61.2 | -42.5 | 179.3 | -60.2 | 0 | 0 | 0 | 0 | 111.4 | V197 L198 T205 | V197-S201 WeakPolarHBondContact O-CB 3.2Å; V197-S201 PolarHBondContact O-N 3.1Å; V197-S201 PolarHBondContact O-OG 3Å; L198-S201 PolarHBondContact O-N 3.24Å; S201-T205 VanDerWaalsContact O-CB 3.29Å; S201-T205 WeakPolarHBondContact O-CB 3.16Å; S201-T205 PolarHBondContact O-N 2.73Å; S201-T205 PolarHBondContact O-OG1 2.9Å |
| 202 | F | 94.1 | Very high | 92.9 | Very high | 65 Ų | 65 | 50.4 Ų | 50.4 | 29% | 0.285 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -69.2 | -40.9 | 177.1 | -64.5 | -17.1 | 0 | 0 | 0 | 112.2 | L9 V12 L13 L198 G199 M200 T205 L206 | L9-F202 HydrophobicContact CD1-CB 3.9Å; L9-F202 HydrophobicContact CD1-CD1 3.5Å; L9-F202 HydrophobicContact CD1-CD2 4.31Å; L9-F202 HydrophobicContact CD1-CE1 4.03Å; L9-F202 HydrophobicContact CD1-CG 3.65Å; L9-F202 HydrophobicContact CG-CB 4.33Å; V12-F202 HydrophobicContact CG1-CE2 4.24Å; L13-F202 HydrophobicContact CD1-CB 3.88Å; L198-F202 WeakPolarHBondContact O-CB 3.03Å; L198-F202 WeakPolarHBondContact O-CD2 3.31Å; L198-F202 WeakPolarHBondContact O-CG 3.48Å; L198-F202 PolarHBondContact O-N 3.4Å; G199-F202 PolarHBondContact O-N 3.39Å; M200-F202 VanDerWaalsContact C-N 3.32Å; M200-F202 PolarHBondContact O-N 3.01Å; F202-T205 PolarHBondContact O-N 3.26Å; F202-L206 VanDerWaalsContact O-CB 3.3Å; F202-L206 WeakPolarHBondContact O-CB 3.37Å; F202-L206 PolarHBondContact O-N 3.44Å |
| 203 | A | 94 | Very high | 92.1 | Very high | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.008 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.8 | -46.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L13 F85 F86 G199 M200 L206 N207 | L13-A203 HydrophobicContact CD1-CB 4.41Å; F85-A203 HydrophobicContact CD1-CB 3.65Å; F85-A203 HydrophobicContact CE1-CB 3.9Å; F86-A203 HydrophobicContact CB-CB 4.46Å; G199-A203 WeakPolarHBondContact O-CB 3.32Å; G199-A203 PolarHBondContact O-N 2.89Å; M200-A203 PolarHBondContact O-N 3.23Å; A203-L206 PolarHBondContact O-N 3.22Å; A203-N207 VanDerWaalsContact O-CB 3.26Å; A203-N207 WeakPolarHBondContact O-CB 3.3Å; A203-N207 PolarHBondContact O-N 3.18Å |
| 204 | L | 93.8 | Very high | 91.2 | Very high | 65 Ų | 65 | 50.7 Ų | 50.7 | 34% | 0.34 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -64.3 | -45.6 | 176.3 | -73.8 | 178.8 | 0 | 0 | 0 | 111.8 | M83 F86 M200 L206 N207 C208 | M83-L204 HydrophobicContact SD-CD2 4.35Å; F86-L204 HydrophobicContact CD1-CD2 4.3Å; F86-L204 HydrophobicContact CD2-CD1 3.96Å; F86-L204 HydrophobicContact CD2-CD2 3.99Å; F86-L204 HydrophobicContact CD2-CG 3.65Å; F86-L204 HydrophobicContact CE1-CD2 4.39Å; F86-L204 HydrophobicContact CE2-CD1 3.42Å; F86-L204 VanDerWaalsContact CE2-CD1 3.42Å; F86-L204 HydrophobicContact CE2-CD2 4.08Å; F86-L204 HydrophobicContact CE2-CG 3.67Å; F86-L204 HydrophobicContact CG-CD2 4.11Å; F86-L204 HydrophobicContact CG-CG 4.26Å; F86-L204 HydrophobicContact CZ-CD1 3.88Å; F86-L204 HydrophobicContact CZ-CD2 4.29Å; F86-L204 HydrophobicContact CZ-CG 4.29Å; M200-L204 PolarHBondContact O-N 3.12Å; L204-L206 VanDerWaalsContact C-N 3.33Å; L204-L206 PolarHBondContact O-N 3.18Å; L204-N207 PolarHBondContact O-N 3.01Å; L204-C208 WeakPolarHBondContact O-CB 3.26Å; L204-C208 PolarHBondContact O-N 2.77Å; L204-C208 PolarHBondContact O-SG 3.26Å; L204-C208 VanDerWaalsContact O-SG 3.35Å |
| 205 | T | 92.1 | Very high | 90.2 | Very high | 66 Ų | 66 | 53.3 Ų | 53.3 | 41% | 0.405 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -59.9 | -45.4 | 178.8 | -58.8 | 0 | 0 | 0 | 0 | 110.8 | L9 S201 F202 Q209 | L9-T205 HydrophobicContact CD2-CG2 3.75Å; S201-T205 VanDerWaalsContact O-CB 3.29Å; S201-T205 WeakPolarHBondContact O-CB 3.16Å; S201-T205 PolarHBondContact O-N 2.73Å; S201-T205 PolarHBondContact O-OG1 2.9Å; F202-T205 PolarHBondContact O-N 3.26Å; T205-Q209 WeakPolarHBondContact O-CG 3.38Å; T205-Q209 PolarHBondContact O-N 3.43Å; T205-Q209 VanDerWaalsContact O-N 3.13Å |
| 206 | L | 90.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64 | -45.1 | 177.1 | -172.3 | 61.3 | 0 | 0 | 0 | 111.2 | L6 L9 K10 L82 F202 A203 L204 C208 Q209 I210 | L6-L206 HydrophobicContact CG-CD1 4.21Å; L9-L206 HydrophobicContact CD2-CB 3.98Å; K10-L206 HydrophobicContact CB-CD1 4.49Å; L82-L206 HydrophobicContact CD1-CB 4.38Å; L82-L206 HydrophobicContact CD1-CD2 3.91Å; L82-L206 HydrophobicContact CD1-CG 4.01Å; L82-L206 HydrophobicContact CD2-CD2 4.15Å; F202-L206 VanDerWaalsContact O-CB 3.3Å; F202-L206 WeakPolarHBondContact O-CB 3.37Å; F202-L206 PolarHBondContact O-N 3.44Å; A203-L206 PolarHBondContact O-N 3.22Å; L204-L206 VanDerWaalsContact C-N 3.33Å; L204-L206 PolarHBondContact O-N 3.18Å; L206-C208 PolarHBondContact O-N 3.14Å; L206-Q209 PolarHBondContact O-N 3.31Å; L206-I210 HydrophobicContact CG-CD1 4.04Å; L206-I210 VanDerWaalsContact O-CG1 3.26Å; L206-I210 WeakPolarHBondContact O-CG1 3.13Å; L206-I210 PolarHBondContact O-N 3.41Å |
| 207 | N | 91.1 | Very high | 88 | Confident | 23 Ų | 23 | 58.2 Ų | 58.2 | 12% | 0.123 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -60.4 | -47.3 | 179 | -171.9 | 36.4 | 0 | 0 | 0 | 112.5 | K79 L82 M83 A203 L204 Q209 I210 D211 | K79-N207 VanDerWaalsContact CB-OD1 3.25Å; K79-N207 WeakPolarHBondContact CB-OD1 3.5Å; K79-N207 WeakPolarHBondContact CG-OD1 3.24Å; L82-N207 HydrophobicContact CD1-CB 4.49Å; M83-N207 WeakPolarHBondContact CG-ND2 3.42Å; M83-N207 PolarHBondContact SD-ND2 2.95Å; A203-N207 VanDerWaalsContact O-CB 3.26Å; A203-N207 WeakPolarHBondContact O-CB 3.3Å; A203-N207 PolarHBondContact O-N 3.18Å; L204-N207 PolarHBondContact O-N 3.01Å; N207-Q209 VanDerWaalsContact C-N 3.26Å; N207-Q209 PolarHBondContact O-N 3.18Å; N207-I210 PolarHBondContact O-N 3.01Å; N207-D211 PolarHBondContact O-N 3.12Å |
| 208 | C | 88.8 | Confident | 86.2 | Confident | 72 Ų | 72 | 58.6 Ų | 58.6 | 49% | 0.486 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61.5 | -34.6 | 176.5 | -71 | 0 | 0 | 0 | 0 | 112.5 | L204 L206 D211 K212 | L204-C208 WeakPolarHBondContact O-CB 3.26Å; L204-C208 PolarHBondContact O-N 2.77Å; L204-C208 PolarHBondContact O-SG 3.26Å; L204-C208 VanDerWaalsContact O-SG 3.35Å; L206-C208 PolarHBondContact O-N 3.14Å; C208-D211 PolarHBondContact O-N 3.05Å; C208-K212 WeakPolarHBondContact O-CG 3.27Å; C208-K212 PolarHBondContact O-N 3.47Å |
| 209 | Q | 86.6 | Confident | 84.1 | Confident | 44 Ų | 44 | 63.5 Ų | 63.5 | 21% | 0.206 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -76.3 | -36 | 178.5 | -67.1 | 173.8 | -10.8 | 0 | 0 | 112.8 | L6 T205 L206 N207 D211 K212 T213 | L6-Q209 HydrophobicContact CD1-CB 3.3Å; L6-Q209 HydrophobicContact CD1-CG 4.14Å; L6-Q209 VanDerWaalsContact CD1-OE1 3.24Å; L6-Q209 HydrophobicContact CG-CB 4.44Å; T205-Q209 WeakPolarHBondContact O-CG 3.38Å; T205-Q209 PolarHBondContact O-N 3.43Å; T205-Q209 VanDerWaalsContact O-N 3.13Å; L206-Q209 PolarHBondContact O-N 3.31Å; N207-Q209 VanDerWaalsContact C-N 3.26Å; N207-Q209 PolarHBondContact O-N 3.18Å; Q209-D211 PolarHBondContact O-N 3.07Å; Q209-K212 PolarHBondContact O-N 3.19Å; Q209-T213 PolarHBondContact O-N 2.85Å; Q209-T213 PolarHBondContact O-OG1 2.94Å |
| 210 | I | 86 | Confident | 83.6 | Confident | 20 Ų | 20 | 66.1 Ų | 66.1 | 10% | 0.103 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -59 | -39.7 | 170.9 | -63.6 | 161.4 | 0 | 0 | 0 | 109.3 | E77 K79 L82 L206 N207 T213 S214 | E77-I210 HydrophobicContact CB-CD1 3.81Å; E77-I210 HydrophobicContact CB-CG1 4.2Å; E77-I210 HydrophobicContact CG-CD1 4.27Å; K79-I210 HydrophobicContact CD-CG2 4.35Å; K79-I210 VanDerWaalsContact CE-CG2 3.48Å; K79-I210 HydrophobicContact CG-CB 4.44Å; K79-I210 HydrophobicContact CG-CG2 3.95Å; L82-I210 HydrophobicContact CD1-CD1 3.59Å; L206-I210 HydrophobicContact CG-CD1 4.04Å; L206-I210 VanDerWaalsContact O-CG1 3.26Å; L206-I210 WeakPolarHBondContact O-CG1 3.13Å; L206-I210 PolarHBondContact O-N 3.41Å; N207-I210 PolarHBondContact O-N 3.01Å; I210-T213 PolarHBondContact O-N 2.95Å; I210-S214 PolarHBondContact O-N 2.99Å; I210-S214 PolarHBondContact O-OG 3.09Å |
| 211 | D | 83.3 | Confident | 82.8 | Confident | 65 Ų | 65 | 68.8 Ų | 68.8 | 35% | 0.348 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -63.4 | -45.3 | 178 | -160.4 | 51.5 | 0 | 0 | 0 | 114.3 | K79 N207 C208 Q209 T213 S214 Q215 | K79-D211 VanDerWaalsContact NZ-CA 3.31Å; K79-D211 IonicContact NZ-OD1 3.08Å; K79-D211 PolarHBondContact NZ-OD1 3.01Å; N207-D211 PolarHBondContact O-N 3.12Å; C208-D211 PolarHBondContact O-N 3.05Å; Q209-D211 PolarHBondContact O-N 3.07Å; D211-T213 PolarHBondContact O-N 2.9Å; D211-S214 WeakPolarHBondContact CA-OG 3.43Å; D211-S214 PolarHBondContact O-N 3.44Å; D211-S214 PolarHBondContact O-OG 3.36Å; D211-Q215 WeakPolarHBondContact O-CG 3.47Å; D211-Q215 PolarHBondContact O-N 3.31Å; D211-Q215 PolarHBondContact OD2-NE2 3.5Å |
| 212 | K | 83.6 | Confident | 82.1 | Confident | 148 Ų | 148 | 69.8 Ų | 69.8 | 64% | 0.643 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -61 | -36.4 | 173.4 | -70.4 | 177.7 | -178.9 | -179.9 | 0 | 112 | C208 Q209 S216 | C208-K212 WeakPolarHBondContact O-CG 3.27Å; C208-K212 PolarHBondContact O-N 3.47Å; Q209-K212 PolarHBondContact O-N 3.19Å; K212-S216 WeakPolarHBondContact O-CB 3.46Å; K212-S216 PolarHBondContact O-N 2.98Å; K212-S216 PolarHBondContact O-OG 2.87Å |
| 213 | T | 79.4 | Confident | 81.4 | Confident | 63 Ų | 63 | 70.1 Ų | 70.1 | 39% | 0.387 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -69.9 | -44.4 | 179.5 | -52.4 | 0 | 0 | 0 | 0 | 111 | Q209 I210 D211 S216 I217 | Q209-T213 PolarHBondContact O-N 2.85Å; Q209-T213 PolarHBondContact O-OG1 2.94Å; I210-T213 PolarHBondContact O-N 2.95Å; D211-T213 PolarHBondContact O-N 2.9Å; T213-S216 PolarHBondContact O-N 2.87Å; T213-S216 PolarHBondContact O-OG 2.57Å; T213-I217 HydrophobicContact CG2-CD1 3.88Å; T213-I217 WeakPolarHBondContact O-CG1 3.49Å; T213-I217 PolarHBondContact O-N 3.14Å |
| 214 | S | 77.5 | Confident | 80.7 | Confident | 28 Ų | 28 | 74.4 Ų | 74.4 | 20% | 0.196 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -60 | -47.4 | 174.9 | 49.2 | 0 | 0 | 0 | 0 | 112 | K79 I210 D211 S216 I217 G218 L219 | K79-S214 PolarHBondContact NZ-OG 2.91Å; I210-S214 PolarHBondContact O-N 2.99Å; I210-S214 PolarHBondContact O-OG 3.09Å; D211-S214 WeakPolarHBondContact CA-OG 3.43Å; D211-S214 PolarHBondContact O-N 3.44Å; D211-S214 PolarHBondContact O-OG 3.36Å; S214-S216 VanDerWaalsContact C-N 3.29Å; S214-S216 PolarHBondContact O-N 3.03Å; S214-I217 PolarHBondContact O-N 3.12Å; S214-I217 VanDerWaalsContact O-N 3.07Å; S214-G218 PolarHBondContact O-N 2.96Å; S214-L219 PolarHBondContact O-N 3.36Å |
| 215 | Q | 76.9 | Confident | 79.8 | Confident | 132 Ų | 132 | 75 Ų | 75 | 62% | 0.617 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -60.2 | -37.6 | 177.5 | -72 | 175.2 | 3.6 | 0 | 0 | 112.6 | D211 I217 G218 | D211-Q215 WeakPolarHBondContact O-CG 3.47Å; D211-Q215 PolarHBondContact O-N 3.31Å; D211-Q215 PolarHBondContact OD2-NE2 3.5Å; Q215-I217 VanDerWaalsContact C-N 3.29Å; Q215-I217 PolarHBondContact O-N 2.69Å; Q215-G218 PolarHBondContact O-N 3.23Å |
| 216 | S | 73.1 | Confident | 78.9 | Confident | 94 Ų | 94 | 75.6 Ų | 75.6 | 66% | 0.657 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -68.9 | -25.2 | 178.1 | 71.8 | 0 | 0 | 0 | 0 | 114.1 | K212 T213 S214 | K212-S216 WeakPolarHBondContact O-CB 3.46Å; K212-S216 PolarHBondContact O-N 2.98Å; K212-S216 PolarHBondContact O-OG 2.87Å; T213-S216 PolarHBondContact O-N 2.87Å; T213-S216 PolarHBondContact O-OG 2.57Å; S214-S216 VanDerWaalsContact C-N 3.29Å; S214-S216 PolarHBondContact O-N 3.03Å |
| 217 | I | 75.3 | Confident | 78 | Confident | 113 Ų | 113 | 81.5 Ų | 81.5 | 58% | 0.579 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -90.8 | -7.7 | -179.4 | -61.7 | 167.3 | 0 | 0 | 0 | 111 | T213 S214 Q215 L219 | T213-I217 HydrophobicContact CG2-CD1 3.88Å; T213-I217 WeakPolarHBondContact O-CG1 3.49Å; T213-I217 PolarHBondContact O-N 3.14Å; S214-I217 PolarHBondContact O-N 3.12Å; S214-I217 VanDerWaalsContact O-N 3.07Å; Q215-I217 VanDerWaalsContact C-N 3.29Å; Q215-I217 PolarHBondContact O-N 2.69Å; I217-L219 VanDerWaalsContact C-N 3.31Å; I217-L219 HydrophobicContact CG2-CD1 3.9Å |
| 218 | G | 58.4 | Low | 76.9 | Confident | 73 Ų | 73 | 86.3 Ų | 86.3 | 75% | 0.753 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.2 | 22.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | S214 Q215 | S214-G218 PolarHBondContact O-N 2.96Å; Q215-G218 PolarHBondContact O-N 3.23Å |
| 219 | L | 53.7 | Low | 75.8 | Confident | 184 Ų | 184 | 87.6 Ų | 87.6 | 96% | 0.963 | 50% | 0.496 | S | S | * | . | trans | -100.4 | 0 | 171 | -89.1 | 157 | 0 | 0 | 0 | 109.8 | S214 I217 | S214-L219 PolarHBondContact O-N 3.36Å; I217-L219 VanDerWaalsContact C-N 3.31Å; I217-L219 HydrophobicContact CG2-CD1 3.9Å |
Retrieved 219 of 219 residues in 791.6 ms
(Link to these results)