| 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 | 79.7 | Confident | 92.9 | Very high | 248 Ų | 248 | 80.9 Ų | 80.9 | 100% | 1.222 | 42% | 0.418 | S | S | * | . | 0 | 126.5 | 0 | -76 | -179.3 | 177 | 0 | 0 | 106.9 | |||||
| 2 | E | 91.6 | Very high | 92.4 | Very high | 165 Ų | 165 | 78.2 Ų | 78.2 | 77% | 0.771 | 40% | 0.402 | S | S | * | . | trans | -94.9 | 134.9 | 178.9 | -175.9 | 178.2 | -174.9 | 0 | 0 | 109.7 | I4 | E2-I4 PolarHBondContact O-N 3.41Š| ||
| 3 | T | 94 | Very high | 91.4 | Very high | 81 Ų | 81 | 74.2 Ų | 74.2 | 50% | 0.497 | 38% | 0.381 | S | S | . | . | trans | -79.7 | 115.2 | 174.6 | -56.3 | 0 | 0 | 0 | 0 | 109.1 | F119 | T3-F119 HydrophobicContact CG2-CB 4.09Å; T3-F119 HydrophobicContact CG2-CD1 4.26Å; T3-F119 HydrophobicContact CG2-CD2 3.5Å; T3-F119 HydrophobicContact CG2-CE2 3.94Å; T3-F119 HydrophobicContact CG2-CG 3.69Å; T3-F119 HydrophobicContact CG2-CZ 4.49Å; T3-F119 WeakPolarHBondContact O-CB 2.93Å; T3-F119 WeakPolarHBondContact O-CD1 3.44Å | ||
| 4 | I | 95.9 | Very high | 89.9 | Confident | 121 Ų | 121 | 72.6 Ų | 72.6 | 62% | 0.621 | 38% | 0.377 | S | S | * | . | trans | -97.8 | -18.9 | -178.1 | 61.4 | 169 | 0 | 0 | 0 | 113.7 | E2 F116 F119 | E2-I4 PolarHBondContact O-N 3.41Å; I4-F116 HydrophobicContact CD1-CZ 4.45Å; I4-F116 HydrophobicContact CG1-CZ 4.36Å; I4-F119 PolarHBondContact O-N 3.23Å | ||
| 5 | G | 96.4 | Very high | 88.2 | Confident | 19 Ų | 19 | 73.5 Ų | 73.5 | 20% | 0.196 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -177.9 | 167.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q117 | G5-Q117 CarbonylContact C-O 3.49Å; G5-Q117 WeakPolarHBondContact CA-O 3.44Å |
| 6 | V | 96.8 | Very high | 86.7 | Confident | 60 Ų | 60 | 69.1 Ų | 69.1 | 36% | 0.364 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 121.6 | 176.6 | -178.5 | 0 | 0 | 0 | 0 | 108.3 | K8 F116 Q117 F119 | V6-K8 HydrophobicContact CG1-CG 4.39Å; V6-F116 WeakPolarHBondContact O-CA 3.32Å; V6-Q117 PolarHBondContact N-O 2.97Å; V6-Q117 PolarHBondContact O-N 3.16Å; V6-F119 HydrophobicContact CG2-CD2 4.44Å |
| 7 | F | 97.6 | Very high | 85.5 | Confident | 32 Ų | 32 | 76.9 Ų | 76.9 | 14% | 0.14 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 123.2 | 176.9 | -177.9 | -113.4 | 0 | 0 | 0 | 111.2 | P9 V70 L72 F77 K112 S115 F116 | F7-P9 HydrophobicContact CD1-CB 4.5Å; F7-P9 HydrophobicContact CD1-CG 4.47Å; F7-P9 HydrophobicContact CE1-CB 3.77Å; F7-P9 HydrophobicContact CE1-CG 4.17Å; F7-P9 HydrophobicContact CZ-CB 4.21Å; F7-V70 HydrophobicContact CD2-CG2 3.8Å; F7-V70 HydrophobicContact CE2-CG2 3.54Å; F7-L72 HydrophobicContact CB-CD1 4.25Å; F7-L72 HydrophobicContact CD1-CB 4.49Å; F7-L72 HydrophobicContact CD1-CD1 4.26Å; F7-L72 HydrophobicContact CD2-CD1 3.78Å; F7-L72 HydrophobicContact CD2-CG 4.4Å; F7-L72 HydrophobicContact CE1-CB 4.15Å; F7-L72 HydrophobicContact CE2-CB 4.42Å; F7-L72 HydrophobicContact CE2-CD1 4.19Å; F7-L72 HydrophobicContact CE2-CG 4.31Å; F7-L72 HydrophobicContact CG-CD1 3.83Å; F7-L72 HydrophobicContact CZ-CB 4.12Å; F7-F77 AromaticContact CD1-CE1 3.82Å; F7-F77 HydrophobicContact CD1-CE1 3.82Å; F7-F77 AromaticContact CD1-CE2 3.88Å; F7-F77 HydrophobicContact CD1-CE2 3.88Å; F7-F77 AromaticContact CD1-CZ 3.32Å; F7-F77 HydrophobicContact CD1-CZ 3.32Å; F7-F77 HydrophobicContact CE1-CD2 4.42Å; F7-F77 HydrophobicContact CE1-CE1 4.34Å; F7-F77 AromaticContact CE1-CE2 3.65Å; F7-F77 HydrophobicContact CE1-CE2 3.65Å; F7-F77 AromaticContact CE1-CZ 3.62Å; F7-F77 HydrophobicContact CE1-CZ 3.62Å; F7-F77 HydrophobicContact CG-CZ 4.35Å; F7-K112 HydrophobicContact CE1-CB 4.34Å; F7-K112 HydrophobicContact CZ-CB 4.41Å; F7-K112 WeakPolarHBondContact CZ-O 3.47Å; F7-S115 CarbonylContact C-O 3.55Å; F7-S115 VanDerWaalsContact CA-O 3.29Å; F7-S115 WeakPolarHBondContact CA-O 3.42Å; F7-S115 VanDerWaalsContact CD2-O 3.25Å; F7-S115 WeakPolarHBondContact CD2-O 3.32Å; F7-F116 HydrophobicContact CB-CD2 3.95Å; F7-F116 HydrophobicContact CD2-CB 4.16Å; F7-F116 HydrophobicContact CD2-CD2 4.12Å; F7-F116 HydrophobicContact CG-CD2 4.43Å |
| 8 | K | 95.3 | Very high | 84.2 | Confident | 68 Ų | 68 | 75.1 Ų | 75.1 | 30% | 0.296 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 99.7 | 176.7 | -60.3 | -178.3 | -178.3 | 174.7 | 0 | 110.2 | V6 E49 G114 S115 D204 | V6-K8 HydrophobicContact CG1-CG 4.39Å; K8-E49 IonicContact NZ-OE1 2.76Å; K8-E49 PolarHBondContact NZ-OE1 2.82Å; K8-G114 CarbonylContact O-C 3.43Å; K8-G114 WeakPolarHBondContact O-CA 3.45Å; K8-S115 PolarHBondContact N-O 2.91Å; K8-S115 PolarHBondContact O-N 3.46Å; K8-D204 IonicContact NZ-OD1 2.67Å; K8-D204 PolarHBondContact NZ-OD1 3.11Å |
| 9 | P | 94.5 | Very high | 83 | Confident | 15 Ų | 15 | 72.7 Ų | 72.7 | 10% | 0.097 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 132.4 | -178.2 | 23.9 | -28.5 | 0 | 0 | 0 | 112.5 | F7 N11 E12 K112 I113 | F7-P9 HydrophobicContact CD1-CB 4.5Å; F7-P9 HydrophobicContact CD1-CG 4.47Å; F7-P9 HydrophobicContact CE1-CB 3.77Å; F7-P9 HydrophobicContact CE1-CG 4.17Å; F7-P9 HydrophobicContact CZ-CB 4.21Å; P9-N11 PolarHBondContact O-N 2.88Å; P9-N11 VanDerWaalsContact O-N 3.14Å; P9-E12 HydrophobicContact CB-CG 4.34Å; P9-E12 HydrophobicContact CG-CB 3.97Å; P9-E12 VanDerWaalsContact CG-CD 3.48Å; P9-E12 HydrophobicContact CG-CG 3.71Å; P9-E12 WeakPolarHBondContact CG-OE1 3.42Å; P9-E12 PolarHBondContact O-N 2.81Å; P9-K112 HydrophobicContact CB-CB 3.96Å; P9-K112 HydrophobicContact CB-CD 3.94Å; P9-K112 HydrophobicContact CG-CD 4.44Å; P9-I113 WeakPolarHBondContact CA-O 3.36Å |
| 10 | K | 93.2 | Very high | 81.8 | Confident | 33 Ų | 33 | 73.5 Ų | 73.5 | 14% | 0.143 | 38% | 0.375 | C | S | . | . | G | 310 helix | trans | -49.1 | -43.9 | 179.2 | 177.9 | -173.5 | -179.1 | 173.7 | 0 | 112.5 | E12 E13 N43 Y46 I113 D266 | K10-E12 VanDerWaalsContact C-N 3.26Å; K10-E12 PolarHBondContact O-N 3.11Å; K10-E13 WeakPolarHBondContact O-CB 3.17Å; K10-E13 PolarHBondContact O-N 3.11Å; K10-N43 WeakPolarHBondContact CE-ND2 3.42Å; K10-N43 WeakPolarHBondContact CE-O 3.27Å; K10-N43 PolarHBondContact O-OD1 2.82Å; K10-Y46 HydrophobicContact CB-CD1 3.73Å; K10-Y46 HydrophobicContact CB-CE1 3.94Å; K10-Y46 HydrophobicContact CB-CG 4.24Å; K10-Y46 HydrophobicContact CD-CD1 4.16Å; K10-Y46 HydrophobicContact CD-CE1 3.5Å; K10-Y46 HydrophobicContact CG-CD1 3.77Å; K10-Y46 HydrophobicContact CG-CE1 3.65Å; K10-I113 HydrophobicContact CB-CG2 3.9Å; K10-I113 WeakPolarHBondContact CB-O 3.25Å; K10-I113 HydrophobicContact CD-CG2 4.03Å; K10-I113 PolarHBondContact N-O 3.41Å; K10-D266 VanDerWaalsContact CE-OD2 3.26Å; K10-D266 WeakPolarHBondContact CE-OD2 3.18Å; K10-D266 IonicContact NZ-OD1 3.92Å; K10-D266 PolarHBondContact NZ-OD1 3.45Å; K10-D266 IonicContact NZ-OD2 2.78Å; K10-D266 PolarHBondContact NZ-OD2 2.89Å |
| 11 | N | 87.2 | Confident | 80.5 | Confident | 48 Ų | 48 | 76.2 Ų | 76.2 | 26% | 0.257 | 38% | 0.384 | S | S | . | . | G | 310 helix | trans | -77.5 | -7.1 | -172.8 | 63.9 | -4.7 | 0 | 0 | 0 | 114.7 | P9 L18 K112 | P9-N11 PolarHBondContact O-N 2.88Å; P9-N11 VanDerWaalsContact O-N 3.14Å; N11-L18 CarbonylContact O-C 3.49Å; N11-L18 WeakPolarHBondContact O-CA 3.32Å; N11-L18 WeakPolarHBondContact O-CB 3.45Å; N11-L18 PolarHBondContact O-N 3.01Å; N11-K112 WeakPolarHBondContact OD1-CD 3.48Å; N11-K112 PolarHBondContact OD1-NZ 3.05Å |
| 12 | E | 86.1 | Confident | 79.2 | Confident | 48 Ų | 48 | 73 Ų | 73 | 22% | 0.224 | 36% | 0.358 | C | S | . | . | G | 310 helix | trans | -104 | 0.5 | 175.4 | -54.4 | -174.8 | -151.5 | 0 | 0 | 112.8 | P9 K10 N78 K112 | P9-E12 HydrophobicContact CB-CG 4.34Å; P9-E12 HydrophobicContact CG-CB 3.97Å; P9-E12 VanDerWaalsContact CG-CD 3.48Å; P9-E12 HydrophobicContact CG-CG 3.71Å; P9-E12 WeakPolarHBondContact CG-OE1 3.42Å; P9-E12 PolarHBondContact O-N 2.81Å; K10-E12 VanDerWaalsContact C-N 3.26Å; K10-E12 PolarHBondContact O-N 3.11Å; E12-N78 HydrophobicContact CG-CB 4.26Å; E12-N78 PolarHBondContact OE1-N 3.26Å; E12-K112 IonicContact OE1-NZ 2.64Å; E12-K112 PolarHBondContact OE1-NZ 2.96Å |
| 13 | E | 80.2 | Confident | 77.5 | Confident | 27 Ų | 27 | 70.9 Ų | 70.9 | 13% | 0.126 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -59 | 160.6 | 173.2 | -72.4 | -176.5 | -161.6 | 0 | 0 | 111.9 | K10 Y15 G16 N19 N43 G45 Y46 | K10-E13 WeakPolarHBondContact O-CB 3.17Å; K10-E13 PolarHBondContact O-N 3.11Å; E13-Y15 PolarHBondContact O-N 2.81Å; E13-G16 WeakPolarHBondContact O-CA 3.32Å; E13-G16 PolarHBondContact O-N 2.73Å; E13-N19 WeakPolarHBondContact O-CB 3.49Å; E13-N43 WeakPolarHBondContact OE2-CA 3.32Å; E13-G45 WeakPolarHBondContact OE1-CA 3.46Å; E13-G45 PolarHBondContact OE1-N 2.97Å; E13-G45 PolarHBondContact OE2-N 3.27Å; E13-Y46 PolarHBondContact OE1-N 2.67Å |
| 14 | P | 70 | Confident | 75.5 | Confident | 51 Ų | 51 | 70.9 Ų | 70.9 | 33% | 0.331 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.1 | -36.2 | -178.5 | -33.7 | 38.6 | 0 | 0 | 0 | 116.1 | N19 K24 | P14-N19 VanDerWaalsContact CA-ND2 3.29Å; P14-N19 WeakPolarHBondContact CA-ND2 3.48Å; P14-N19 PolarHBondContact O-ND2 3.08Å; P14-K24 HydrophobicContact CB-CD 3.87Å; P14-K24 HydrophobicContact CG-CD 4.27Å |
| 15 | Y | 63.8 | Low | 73.5 | Confident | 87 Ų | 87 | 70.7 Ų | 70.7 | 34% | 0.341 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | -0.1 | 179 | -55.1 | -74.5 | 0 | 0 | 0 | 113.1 | E13 R28 G36 L42 | E13-Y15 PolarHBondContact O-N 2.81Å; Y15-R28 PolarHBondContact O-NH1 2.99Å; Y15-G36 WeakPolarHBondContact OH-CA 3.43Å; Y15-L42 HydrophobicContact CD1-CD2 4.12Å; Y15-L42 HydrophobicContact CD2-CD2 4.1Å; Y15-L42 HydrophobicContact CE1-CD2 4.43Å; Y15-L42 HydrophobicContact CE2-CD2 4.41Å; Y15-L42 HydrophobicContact CG-CD2 3.95Å |
| 16 | G | 64.7 | Low | 71.3 | Confident | 2 Ų | 2 | 74.3 Ų | 74.3 | 2% | 0.021 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -65.9 | 152.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | E13 L18 N19 N43 | E13-G16 WeakPolarHBondContact O-CA 3.32Å; E13-G16 PolarHBondContact O-N 2.73Å; G16-L18 PolarHBondContact O-N 3.46Å; G16-L18 VanDerWaalsContact O-N 3.15Å; G16-N19 PolarHBondContact O-N 3.45Å; G16-N43 WeakPolarHBondContact CA-OD1 3.34Å; G16-N43 PolarHBondContact N-OD1 3.45Å |
| 17 | K | 66.8 | Low | 69.2 | Low | 202 Ų | 202 | 75.1 Ų | 75.1 | 88% | 0.878 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -19.9 | -178.6 | -66.7 | -178 | 179.7 | 179.5 | 0 | 113.3 | ||
| 18 | L | 61.5 | Low | 67 | Low | 44 Ų | 44 | 77.6 Ų | 77.6 | 23% | 0.23 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -120.2 | 27.1 | -177 | -58 | 174.3 | 0 | 0 | 0 | 112.3 | N11 G16 P20 N78 | N11-L18 CarbonylContact O-C 3.49Å; N11-L18 WeakPolarHBondContact O-CA 3.32Å; N11-L18 WeakPolarHBondContact O-CB 3.45Å; N11-L18 PolarHBondContact O-N 3.01Å; G16-L18 PolarHBondContact O-N 3.46Å; G16-L18 VanDerWaalsContact O-N 3.15Å; L18-P20 VanDerWaalsContact O-CD 3.31Å; L18-P20 WeakPolarHBondContact O-CD 3.45Å; L18-N78 PolarHBondContact O-ND2 2.95Å |
| 19 | N | 61.7 | Low | 64.9 | Low | 30 Ų | 30 | 80.1 Ų | 80.1 | 16% | 0.16 | 37% | 0.372 | C | S | . | . | trans | -58.6 | 120.3 | 173.9 | -179.9 | 3.1 | 0 | 0 | 0 | 110.2 | E13 P14 G16 K21 | E13-N19 WeakPolarHBondContact O-CB 3.49Å; P14-N19 VanDerWaalsContact CA-ND2 3.29Å; P14-N19 WeakPolarHBondContact CA-ND2 3.48Å; P14-N19 PolarHBondContact O-ND2 3.08Å; G16-N19 PolarHBondContact O-N 3.45Å; N19-K21 PolarHBondContact O-N 3.38Å; N19-K21 WeakPolarHBondContact OD1-CB 3.47Å; N19-K21 PolarHBondContact OD1-N 3.21Å | ||
| 20 | P | 58.4 | Low | 62.9 | Low | 89 Ų | 89 | 83.7 Ų | 83.7 | 58% | 0.578 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -71.4 | -18 | 180 | 28.4 | -34.5 | 0 | 0 | 0 | 113.3 | L18 W22 | L18-P20 VanDerWaalsContact O-CD 3.31Å; L18-P20 WeakPolarHBondContact O-CD 3.45Å; P20-W22 PolarHBondContact O-N 3.04Å |
| 21 | K | 56.2 | Low | 60.8 | Low | 131 Ų | 131 | 84.5 Ų | 84.5 | 57% | 0.57 | 41% | 0.405 | S | S | * | . | trans | -85.9 | 88.4 | -178.8 | -63.9 | -174.2 | 177.6 | -176.6 | 0 | 110.8 | N19 L23 K24 | N19-K21 PolarHBondContact O-N 3.38Å; N19-K21 WeakPolarHBondContact OD1-CB 3.47Å; N19-K21 PolarHBondContact OD1-N 3.21Å; K21-L23 PolarHBondContact O-N 3.41Å; K21-L23 VanDerWaalsContact O-N 3.09Å; K21-K24 HydrophobicContact CB-CG 4.35Å; K21-K24 PolarHBondContact O-N 3.31Å | ||
| 22 | W | 51.6 | Low | 58.7 | Low | 181 Ų | 181 | 87.1 Ų | 87.1 | 69% | 0.686 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -42.2 | -42.1 | 174.7 | 165 | -80.3 | 0 | 0 | 0 | 113.8 | P20 K24 W25 M26 | P20-W22 PolarHBondContact O-N 3.04Å; W22-K24 VanDerWaalsContact C-N 3.27Å; W22-K24 PolarHBondContact O-N 3.15Å; W22-W25 WeakPolarHBondContact O-CA 3.37Å; W22-W25 WeakPolarHBondContact O-CB 3.23Å; W22-W25 PolarHBondContact O-N 2.84Å; W22-M26 PolarHBondContact O-N 3.3Å |
| 23 | L | 54.6 | Low | 56.9 | Low | 120 Ų | 120 | 89.4 Ų | 89.4 | 63% | 0.628 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -60.1 | -35.8 | -175.9 | -149 | 78.6 | 0 | 0 | 0 | 112.7 | K21 M26 Q27 | K21-L23 PolarHBondContact O-N 3.41Å; K21-L23 VanDerWaalsContact O-N 3.09Å; L23-M26 PolarHBondContact O-N 2.72Å; L23-Q27 WeakPolarHBondContact O-CG 3.37Å; L23-Q27 PolarHBondContact O-N 2.96Å; L23-Q27 VanDerWaalsContact O-N 3.1Å |
| 24 | K | 52.7 | Low | 55.2 | Low | 80 Ų | 80 | 91 Ų | 91 | 35% | 0.348 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -73.5 | -29 | 177.1 | -63.6 | -166.4 | -179.2 | -174.2 | 0 | 112.1 | P14 K21 W22 R28 | P14-K24 HydrophobicContact CB-CD 3.87Å; P14-K24 HydrophobicContact CG-CD 4.27Å; K21-K24 HydrophobicContact CB-CG 4.35Å; K21-K24 PolarHBondContact O-N 3.31Å; W22-K24 VanDerWaalsContact C-N 3.27Å; W22-K24 PolarHBondContact O-N 3.15Å; K24-R28 PolarHBondContact O-N 3.28Å |
| 25 | W | 53.4 | Low | 54.2 | Low | 118 Ų | 118 | 93.6 Ų | 93.6 | 45% | 0.447 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -69.2 | -40.4 | 172.8 | -178.6 | 102.5 | 0 | 0 | 0 | 111.4 | W22 R28 M29 | W22-W25 WeakPolarHBondContact O-CA 3.37Å; W22-W25 WeakPolarHBondContact O-CB 3.23Å; W22-W25 PolarHBondContact O-N 2.84Å; W25-R28 VanDerWaalsContact O-CB 3.26Å; W25-R28 WeakPolarHBondContact O-CB 2.87Å; W25-R28 PolarHBondContact O-N 3.36Å; W25-M29 HydrophobicContact CH2-CG 4.32Å; W25-M29 HydrophobicContact CZ2-CG 4.38Å; W25-M29 PolarHBondContact O-N 2.92Å |
| 26 | M | 50.8 | Low | 53.9 | Low | 95 Ų | 95 | 90.7 Ų | 90.7 | 47% | 0.468 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -66.3 | -41.2 | 176.6 | -165.2 | -173.6 | 155.1 | 0 | 0 | 111.6 | W22 L23 R28 M29 C30 | W22-M26 PolarHBondContact O-N 3.3Å; L23-M26 PolarHBondContact O-N 2.72Å; M26-R28 PolarHBondContact O-N 2.94Å; M26-M29 PolarHBondContact O-N 3.43Å; M26-M29 VanDerWaalsContact O-N 3.11Å; M26-C30 PolarHBondContact O-N 2.95Å |
| 27 | Q | 52.8 | Low | 54.5 | Low | 77 Ų | 77 | 93.6 Ų | 93.6 | 36% | 0.36 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -58.1 | -35.5 | 172.3 | -74.7 | 172.4 | -25.4 | 0 | 0 | 112.7 | L23 M29 F35 | L23-Q27 WeakPolarHBondContact O-CG 3.37Å; L23-Q27 PolarHBondContact O-N 2.96Å; L23-Q27 VanDerWaalsContact O-N 3.1Å; Q27-M29 VanDerWaalsContact C-N 3.3Å; Q27-M29 PolarHBondContact O-N 3.21Å; Q27-F35 HydrophobicContact CB-CB 4.4Å; Q27-F35 HydrophobicContact CB-CG 4.46Å; Q27-F35 HydrophobicContact CG-CD1 4.39Å; Q27-F35 HydrophobicContact CG-CG 4.48Å |
| 28 | R | 52.1 | Low | 55.2 | Low | 83 Ų | 83 | 86.6 Ų | 86.6 | 31% | 0.313 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -63.7 | -30.7 | 176.4 | -171.9 | 178 | 70 | -177 | 8.1 | 113.5 | Y15 K24 W25 M26 | Y15-R28 PolarHBondContact O-NH1 2.99Å; K24-R28 PolarHBondContact O-N 3.28Å; W25-R28 VanDerWaalsContact O-CB 3.26Å; W25-R28 WeakPolarHBondContact O-CB 2.87Å; W25-R28 PolarHBondContact O-N 3.36Å; M26-R28 PolarHBondContact O-N 2.94Å |
| 29 | M | 50.8 | Low | 56.6 | Low | 122 Ų | 122 | 84.5 Ų | 84.5 | 60% | 0.601 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -93 | -32.1 | -175 | -79.7 | -67.6 | 159 | 0 | 0 | 113.7 | W25 M26 Q27 | W25-M29 HydrophobicContact CH2-CG 4.32Å; W25-M29 HydrophobicContact CZ2-CG 4.38Å; W25-M29 PolarHBondContact O-N 2.92Å; M26-M29 PolarHBondContact O-N 3.43Å; M26-M29 VanDerWaalsContact O-N 3.11Å; Q27-M29 VanDerWaalsContact C-N 3.3Å; Q27-M29 PolarHBondContact O-N 3.21Å |
| 30 | C | 51.9 | Low | 58 | Low | 90 Ų | 90 | 84 Ų | 84 | 61% | 0.608 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -94.6 | -24.6 | -170.9 | -65.9 | 0 | 0 | 0 | 0 | 115 | M26 | M26-C30 PolarHBondContact O-N 2.95Å |
| 31 | C | 48.6 | Very low | 59.4 | Low | 49 Ų | 49 | 81.1 Ų | 81.1 | 33% | 0.331 | 42% | 0.416 | S | S | . | . | trans | -154.8 | 75.1 | -177.2 | -81.3 | 0 | 0 | 0 | 0 | 113.2 | C33 C34 F35 | C31-C33 VanDerWaalsContact C-N 3.29Å; C31-C33 PolarHBondContact O-N 3.22Å; C31-C34 HydrophobicContact CB-CB 3.97Å; C31-C34 PolarHBondContact O-N 3.37Å; C31-F35 HydrophobicContact CB-CD2 3.68Å; C31-F35 HydrophobicContact CB-CE2 4.02Å; C31-F35 PolarHBondContact O-N 2.83Å | ||
| 32 | P | 45.1 | Very low | 60.8 | Low | 103 Ų | 103 | 80.8 Ų | 80.8 | 67% | 0.669 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -25.9 | -176.1 | 24.5 | -32.6 | 0 | 0 | 0 | 114.3 | ||
| 33 | C | 48.3 | Very low | 62.5 | Low | 97 Ų | 97 | 73.9 Ų | 73.9 | 66% | 0.655 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -26.8 | 175.6 | 48.3 | 0 | 0 | 0 | 0 | 113.3 | C31 | C31-C33 VanDerWaalsContact C-N 3.29Å; C31-C33 PolarHBondContact O-N 3.22Å |
| 34 | C | 43 | Very low | 64.3 | Low | 61 Ų | 61 | 69 Ų | 69 | 41% | 0.412 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | -4.3 | -175.7 | -51 | 0 | 0 | 0 | 0 | 113.9 | C31 R218 | C31-C34 HydrophobicContact CB-CB 3.97Å; C31-C34 PolarHBondContact O-N 3.37Å; C34-R218 VanDerWaalsContact C-NH2 3.32Å; C34-R218 PolarHBondContact O-NH2 3.31Å |
| 35 | F | 48.9 | Very low | 66.3 | Low | 104 Ų | 104 | 65.9 Ų | 65.9 | 46% | 0.456 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -138.4 | 123.6 | -177.4 | -70.9 | -85.2 | 0 | 0 | 0 | 112.6 | Q27 C31 | Q27-F35 HydrophobicContact CB-CB 4.4Å; Q27-F35 HydrophobicContact CB-CG 4.46Å; Q27-F35 HydrophobicContact CG-CD1 4.39Å; Q27-F35 HydrophobicContact CG-CG 4.48Å; C31-F35 HydrophobicContact CB-CD2 3.68Å; C31-F35 HydrophobicContact CB-CE2 4.02Å; C31-F35 PolarHBondContact O-N 2.83Å |
| 36 | G | 57.3 | Low | 68.3 | Low | 27 Ų | 27 | 60.4 Ų | 60.4 | 28% | 0.278 | 34% | 0.34 | S | S | . | . | S | Bend | trans | 112.5 | 164 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y15 S38 R218 Y220 | Y15-G36 WeakPolarHBondContact OH-CA 3.43Å; G36-S38 VanDerWaalsContact C-N 3.29Å; G36-S38 PolarHBondContact O-N 3.18Å; G36-R218 PolarHBondContact O-NH1 3.37Å; G36-Y220 PolarHBondContact O-OH 3.08Å |
| 37 | R | 77.1 | Confident | 70.6 | Confident | 62 Ų | 62 | 55.9 Ų | 55.9 | 23% | 0.234 | 32% | 0.318 | C | S | . | . | trans | -78.4 | 77.9 | 173.3 | -67.5 | 173.8 | 163.1 | 99.7 | 5.4 | 109.4 | C39 L40 T163 D164 Y220 | R37-C39 PolarHBondContact O-N 3Å; R37-L40 HydrophobicContact CB-CB 4.37Å; R37-L40 HydrophobicContact CB-CD1 3.66Å; R37-L40 HydrophobicContact CB-CG 3.86Å; R37-L40 HydrophobicContact CG-CD1 4.28Å; R37-L40 WeakPolarHBondContact O-CB 3.39Å; R37-L40 PolarHBondContact O-N 3.48Å; R37-T163 WeakPolarHBondContact CD-OG1 3.49Å; R37-T163 PolarHBondContact NE-O 3.29Å; R37-T163 PolarHBondContact NE-OG1 3.12Å; R37-T163 VanDerWaalsContact NE-OG1 3.12Å; R37-T163 PolarHBondContact NH2-O 3.2Å; R37-D164 VanDerWaalsContact CZ-CG 3.45Å; R37-D164 IonicContact CZ-OD1 2.63Å; R37-D164 IonicContact CZ-OD2 3.88Å; R37-D164 IonicContact NH1-OD1 2.66Å; R37-D164 IonicContact NH1-OD2 2.7Å; R37-D164 PolarHBondContact NH1-OD2 3Å; R37-D164 VanDerWaalsContact NH2-CB 3.33Å; R37-D164 IonicContact NH2-OD1 2.85Å; R37-D164 PolarHBondContact NH2-OD1 3.1Å; R37-D164 IonicContact NH2-OD2 2.72Å; R37-D164 PolarHBondContact NH2-OD2 2.81Å; R37-Y220 WeakPolarHBondContact CA-OH 3.38Å; R37-Y220 HydrophobicContact CB-CE2 4.37Å; R37-Y220 HydrophobicContact CG-CD1 4.48Å; R37-Y220 HydrophobicContact CG-CE1 3.83Å; R37-Y220 HydrophobicContact CG-CE2 4.07Å | ||
| 38 | S | 82.1 | Confident | 72.7 | Confident | 55 Ų | 55 | 52.5 Ų | 52.5 | 39% | 0.385 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -12.3 | -175.9 | 58.8 | 0 | 0 | 0 | 0 | 114.7 | G36 L40 F211 | G36-S38 VanDerWaalsContact C-N 3.29Å; G36-S38 PolarHBondContact O-N 3.18Å; S38-L40 VanDerWaalsContact C-N 3.35Å; S38-F211 WeakPolarHBondContact O-CE1 3.4Å; S38-F211 WeakPolarHBondContact O-CZ 3.36Å |
| 39 | C | 90.6 | Very high | 74.9 | Confident | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.007 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -7.1 | 171.6 | 57.7 | 0 | 0 | 0 | 0 | 114 | R37 P210 F211 K212 | R37-C39 PolarHBondContact O-N 3Å; C39-P210 HydrophobicContact CB-CB 4.04Å; C39-P210 CarbonylContact O-C 3.59Å; C39-P210 WeakPolarHBondContact O-CA 3.26Å; C39-P210 VanDerWaalsContact O-CB 3.3Å; C39-P210 WeakPolarHBondContact O-CB 3.49Å; C39-F211 VanDerWaalsContact C-CE1 3.42Å; C39-F211 WeakPolarHBondContact O-CD1 3.3Å; C39-F211 WeakPolarHBondContact O-CE1 3.48Å; C39-F211 PolarHBondContact O-N 2.95Å; C39-K212 HydrophobicContact CB-CG 3.85Å; C39-K212 WeakPolarHBondContact CB-O 3.29Å |
| 40 | L | 91.1 | Very high | 77.2 | Confident | 20 Ų | 20 | 43.2 Ų | 43.2 | 11% | 0.105 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -101.8 | 143.7 | 179.3 | -62.3 | -178.4 | 0 | 0 | 0 | 111.3 | R37 S38 T163 L207 A208 P210 | R37-L40 HydrophobicContact CB-CB 4.37Å; R37-L40 HydrophobicContact CB-CD1 3.66Å; R37-L40 HydrophobicContact CB-CG 3.86Å; R37-L40 HydrophobicContact CG-CD1 4.28Å; R37-L40 WeakPolarHBondContact O-CB 3.39Å; R37-L40 PolarHBondContact O-N 3.48Å; S38-L40 VanDerWaalsContact C-N 3.35Å; L40-T163 HydrophobicContact CD2-CG2 4.31Å; L40-L207 HydrophobicContact CD1-CB 3.98Å; L40-L207 HydrophobicContact CD1-CD2 3.67Å; L40-L207 HydrophobicContact CD1-CG 4.45Å; L40-A208 WeakPolarHBondContact CD2-O 3.42Å; L40-P210 HydrophobicContact CD2-CB 3.8Å |
| 41 | P | 88.4 | Confident | 79.4 | Confident | 28 Ų | 28 | 38.9 Ų | 38.9 | 18% | 0.182 | 23% | 0.233 | C | C | . | . | P | Polyproline II helix | trans | -64 | 148.1 | 169.5 | 29.4 | -35.1 | 0 | 0 | 0 | 111.2 | Q44 T273 | P41-Q44 HydrophobicContact CB-CG 4.45Å; P41-Q44 HydrophobicContact CG-CB 4.27Å; P41-T273 HydrophobicContact CB-CG2 4.26Å |
| 42 | L | 86.4 | Confident | 81.8 | Confident | 124 Ų | 124 | 36.6 Ų | 36.6 | 65% | 0.649 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | 134.8 | -178.3 | -66.4 | 171.6 | 0 | 0 | 0 | 111.3 | Y15 Q44 | Y15-L42 HydrophobicContact CD1-CD2 4.12Å; Y15-L42 HydrophobicContact CD2-CD2 4.1Å; Y15-L42 HydrophobicContact CE1-CD2 4.43Å; Y15-L42 HydrophobicContact CE2-CD2 4.41Å; Y15-L42 HydrophobicContact CG-CD2 3.95Å; L42-Q44 VanDerWaalsContact C-N 3.3Å; L42-Q44 PolarHBondContact O-N 3.19Å |
| 43 | N | 86.4 | Confident | 84.4 | Confident | 36 Ų | 36 | 31.8 Ų | 31.8 | 19% | 0.193 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.7 | 34.8 | 166.2 | -161.4 | 59.4 | 0 | 0 | 0 | 114.6 | K10 E13 G16 | K10-N43 WeakPolarHBondContact CE-ND2 3.42Å; K10-N43 WeakPolarHBondContact CE-O 3.27Å; K10-N43 PolarHBondContact O-OD1 2.82Å; E13-N43 WeakPolarHBondContact OE2-CA 3.32Å; G16-N43 WeakPolarHBondContact CA-OD1 3.34Å; G16-N43 PolarHBondContact N-OD1 3.45Å |
| 44 | Q | 91.7 | Very high | 86.8 | Confident | 18 Ų | 18 | 29 Ų | 29 | 8% | 0.084 | 17% | 0.165 | C | C | . | . | trans | -119.5 | 20.2 | 175.9 | -66.7 | -174 | -9.9 | 0 | 0 | 111.9 | P41 L42 Y46 L47 S48 | P41-Q44 HydrophobicContact CB-CG 4.45Å; P41-Q44 HydrophobicContact CG-CB 4.27Å; L42-Q44 VanDerWaalsContact C-N 3.3Å; L42-Q44 PolarHBondContact O-N 3.19Å; Q44-Y46 VanDerWaalsContact C-N 3.28Å; Q44-Y46 PolarHBondContact O-N 3.25Å; Q44-L47 HydrophobicContact CB-CB 4.46Å; Q44-L47 HydrophobicContact CB-CD1 4.24Å; Q44-L47 HydrophobicContact CG-CD1 4.16Å; Q44-L47 WeakPolarHBondContact O-CB 3.5Å; Q44-L47 PolarHBondContact O-N 3.04Å; Q44-S48 PolarHBondContact O-N 2.86Å | ||
| 45 | G | 94.7 | Very high | 89.5 | Confident | 14 Ų | 14 | 26.1 Ų | 26.1 | 14% | 0.144 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60.2 | -39.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | E13 L47 S48 E49 G206 | E13-G45 WeakPolarHBondContact OE1-CA 3.46Å; E13-G45 PolarHBondContact OE1-N 2.97Å; E13-G45 PolarHBondContact OE2-N 3.27Å; G45-L47 VanDerWaalsContact C-N 3.27Å; G45-L47 PolarHBondContact O-N 2.91Å; G45-S48 WeakPolarHBondContact O-CB 3.27Å; G45-S48 PolarHBondContact O-N 3.25Å; G45-S48 VanDerWaalsContact O-N 3.13Å; G45-E49 WeakPolarHBondContact O-CG 3.43Å; G45-E49 PolarHBondContact O-N 3.08Å; G45-G206 VanDerWaalsContact CA-O 3.28Å; G45-G206 WeakPolarHBondContact CA-O 3.4Å; G45-G206 WeakPolarHBondContact O-CA 3.48Å |
| 46 | Y | 97 | Very high | 91.8 | Very high | 2 Ų | 2 | 21.3 Ų | 21.3 | 1% | 0.008 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -61.8 | -30.2 | 174.4 | 84.6 | -76.3 | 0 | 0 | 0 | 114.2 | K10 E13 Q44 A50 V69 I113 S115 D266 | K10-Y46 HydrophobicContact CB-CD1 3.73Å; K10-Y46 HydrophobicContact CB-CE1 3.94Å; K10-Y46 HydrophobicContact CB-CG 4.24Å; K10-Y46 HydrophobicContact CD-CD1 4.16Å; K10-Y46 HydrophobicContact CD-CE1 3.5Å; K10-Y46 HydrophobicContact CG-CD1 3.77Å; K10-Y46 HydrophobicContact CG-CE1 3.65Å; E13-Y46 PolarHBondContact OE1-N 2.67Å; Q44-Y46 VanDerWaalsContact C-N 3.28Å; Q44-Y46 PolarHBondContact O-N 3.25Å; Y46-A50 PolarHBondContact O-N 2.85Å; Y46-V69 HydrophobicContact CD2-CG1 4.13Å; Y46-V69 HydrophobicContact CD2-CG2 3.93Å; Y46-V69 HydrophobicContact CE2-CB 4.46Å; Y46-V69 HydrophobicContact CE2-CG1 3.73Å; Y46-V69 HydrophobicContact CE2-CG2 3.86Å; Y46-I113 HydrophobicContact CE2-CD1 4.07Å; Y46-I113 HydrophobicContact CE2-CG1 4.03Å; Y46-S115 WeakPolarHBondContact O-CB 3.44Å; Y46-D266 VanDerWaalsContact CE1-OD2 3.29Å; Y46-D266 WeakPolarHBondContact CE1-OD2 3.49Å; Y46-D266 PolarHBondContact OH-OD2 2.65Å |
| 47 | L | 97.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -72.8 | -43 | 172.6 | -70.5 | 177.9 | 0 | 0 | 0 | 110.5 | Q44 G45 E49 A50 A51 V69 L262 F263 D266 | Q44-L47 HydrophobicContact CB-CB 4.46Å; Q44-L47 HydrophobicContact CB-CD1 4.24Å; Q44-L47 HydrophobicContact CG-CD1 4.16Å; Q44-L47 WeakPolarHBondContact O-CB 3.5Å; Q44-L47 PolarHBondContact O-N 3.04Å; G45-L47 VanDerWaalsContact C-N 3.27Å; G45-L47 PolarHBondContact O-N 2.91Å; L47-E49 VanDerWaalsContact C-N 3.27Å; L47-E49 PolarHBondContact O-N 2.96Å; L47-A50 PolarHBondContact O-N 3.32Å; L47-A51 WeakPolarHBondContact O-CB 3.39Å; L47-A51 PolarHBondContact O-N 3.44Å; L47-V69 HydrophobicContact CD2-CG2 3.99Å; L47-L262 HydrophobicContact CD2-CD1 4.18Å; L47-L262 HydrophobicContact CD2-CG 4.24Å; L47-F263 HydrophobicContact CD1-CB 4.43Å; L47-F263 HydrophobicContact CD1-CD1 4.27Å; L47-F263 HydrophobicContact CD1-CG 4.25Å; L47-D266 HydrophobicContact CD1-CB 3.72Å |
| 48 | S | 98.1 | Very high | 94.8 | Very high | 7 Ų | 7 | 22.2 Ų | 22.2 | 5% | 0.049 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -56.1 | -42.1 | 175.2 | -175.2 | 0 | 0 | 0 | 0 | 111.7 | Q44 G45 A51 A52 N205 A208 | Q44-S48 PolarHBondContact O-N 2.86Å; G45-S48 WeakPolarHBondContact O-CB 3.27Å; G45-S48 PolarHBondContact O-N 3.25Å; G45-S48 VanDerWaalsContact O-N 3.13Å; S48-A51 PolarHBondContact O-N 2.96Å; S48-A52 WeakPolarHBondContact O-CB 3.43Å; S48-A52 PolarHBondContact O-N 2.94Å; S48-N205 CarbonylContact C-O 3.52Å; S48-N205 WeakPolarHBondContact CB-O 3.4Å; S48-N205 PolarHBondContact OG-O 3.34Å; S48-A208 WeakPolarHBondContact OG-CA 3.38Å; S48-A208 WeakPolarHBondContact OG-CB 3.36Å; S48-A208 PolarHBondContact OG-N 3.06Å; S48-A208 PolarHBondContact OG-O 3.31Å |
| 49 | E | 98.3 | Very high | 95.6 | Very high | 4 Ų | 4 | 19.6 Ų | 19.6 | 2% | 0.019 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -60.2 | -49.8 | 174.3 | -69.2 | -76.4 | -164.4 | 0 | 0 | 112.9 | K8 G45 L47 A51 S53 T67 D204 N205 G206 | K8-E49 IonicContact NZ-OE1 2.76Å; K8-E49 PolarHBondContact NZ-OE1 2.82Å; G45-E49 WeakPolarHBondContact O-CG 3.43Å; G45-E49 PolarHBondContact O-N 3.08Å; L47-E49 VanDerWaalsContact C-N 3.27Å; L47-E49 PolarHBondContact O-N 2.96Å; E49-A51 VanDerWaalsContact C-N 3.33Å; E49-S53 PolarHBondContact O-N 3.27Å; E49-T67 HydrophobicContact CB-CG2 4.02Å; E49-D204 WeakPolarHBondContact OE1-CA 3.49Å; E49-N205 PolarHBondContact OE1-N 2.85Å; E49-N205 WeakPolarHBondContact OE2-CA 3.33Å; E49-N205 WeakPolarHBondContact OE2-CB 3.38Å; E49-N205 PolarHBondContact OE2-N 3.43Å; E49-G206 VanDerWaalsContact CD-N 3.34Å; E49-G206 PolarHBondContact OE1-N 2.63Å |
| 50 | A | 98.7 | Very high | 96 | Very high | 5 Ų | 5 | 23.5 Ų | 23.5 | 4% | 0.041 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -67.8 | -36 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112 | Y46 L47 S53 L54 V69 L262 | Y46-A50 PolarHBondContact O-N 2.85Å; L47-A50 PolarHBondContact O-N 3.32Å; A50-S53 PolarHBondContact O-N 3.48Å; A50-L54 PolarHBondContact O-N 3.5Å; A50-V69 HydrophobicContact CB-CG2 3.86Å; A50-L262 HydrophobicContact CB-CD1 4.23Å; A50-L262 HydrophobicContact CB-CD2 4.03Å |
| 51 | A | 98.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -69 | -37.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L47 S48 E49 S53 L54 V55 F209 L259 L262 F263 | L47-A51 WeakPolarHBondContact O-CB 3.39Å; L47-A51 PolarHBondContact O-N 3.44Å; S48-A51 PolarHBondContact O-N 2.96Å; E49-A51 VanDerWaalsContact C-N 3.33Å; A51-S53 VanDerWaalsContact C-N 3.31Å; A51-S53 PolarHBondContact O-N 2.87Å; A51-L54 WeakPolarHBondContact O-CB 3.11Å; A51-L54 PolarHBondContact O-N 3.25Å; A51-L54 VanDerWaalsContact O-N 3.11Å; A51-V55 WeakPolarHBondContact O-CG2 3.23Å; A51-V55 PolarHBondContact O-N 2.95Å; A51-F209 HydrophobicContact CB-CD2 4.11Å; A51-F209 HydrophobicContact CB-CE1 4.37Å; A51-F209 HydrophobicContact CB-CE2 3.37Å; A51-F209 HydrophobicContact CB-CZ 3.51Å; A51-L259 HydrophobicContact CB-CD2 3.7Å; A51-L262 HydrophobicContact CB-CD2 3.81Å; A51-F263 HydrophobicContact CB-CE2 3.62Å; A51-F263 HydrophobicContact CB-CZ 4.1Å |
| 52 | A | 98.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -60.4 | -42.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | S48 L54 V55 D56 I160 N205 | S48-A52 WeakPolarHBondContact O-CB 3.43Å; S48-A52 PolarHBondContact O-N 2.94Å; A52-L54 VanDerWaalsContact C-N 3.31Å; A52-L54 PolarHBondContact O-N 3.32Å; A52-V55 PolarHBondContact O-N 3.43Å; A52-D56 VanDerWaalsContact O-CB 3.31Å; A52-D56 WeakPolarHBondContact O-CB 3.43Å; A52-D56 PolarHBondContact O-N 2.99Å; A52-I160 HydrophobicContact CB-CD1 4.02Å; A52-N205 HydrophobicContact CB-CB 3.39Å |
| 53 | S | 98.8 | Very high | 97.4 | Very high | 2 Ų | 2 | 20.9 Ų | 20.9 | 1% | 0.014 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -65.1 | -33.7 | 173.1 | -175.8 | 0 | 0 | 0 | 0 | 112.7 | E49 A50 A51 Q57 T67 | E49-S53 PolarHBondContact O-N 3.27Å; A50-S53 PolarHBondContact O-N 3.48Å; A51-S53 VanDerWaalsContact C-N 3.31Å; A51-S53 PolarHBondContact O-N 2.87Å; S53-Q57 WeakPolarHBondContact O-CB 2.92Å; S53-Q57 VanDerWaalsContact O-CG 3.24Å; S53-Q57 WeakPolarHBondContact O-CG 3.48Å; S53-Q57 PolarHBondContact O-N 3.45Å; S53-Q57 VanDerWaalsContact O-N 3.08Å; S53-T67 WeakPolarHBondContact CB-O 3.43Å; S53-T67 PolarHBondContact OG-N 3.1Å |
| 54 | L | 98.8 | Very high | 98 | Very high | 39 Ų | 39 | 19.5 Ų | 19.5 | 20% | 0.204 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -65.8 | -48.1 | 175.7 | -171.1 | 154 | 0 | 0 | 0 | 111 | A50 A51 A52 Q57 K58 L255 D258 L259 L262 | A50-L54 PolarHBondContact O-N 3.5Å; A51-L54 WeakPolarHBondContact O-CB 3.11Å; A51-L54 PolarHBondContact O-N 3.25Å; A51-L54 VanDerWaalsContact O-N 3.11Å; A52-L54 VanDerWaalsContact C-N 3.31Å; A52-L54 PolarHBondContact O-N 3.32Å; L54-Q57 PolarHBondContact O-N 3.14Å; L54-K58 WeakPolarHBondContact O-CB 3.23Å; L54-K58 PolarHBondContact O-N 3.3Å; L54-L255 HydrophobicContact CD2-CD1 3.59Å; L54-D258 HydrophobicContact CD1-CB 4.21Å; L54-D258 HydrophobicContact CD2-CB 3.93Å; L54-L259 HydrophobicContact CD2-CD2 4.11Å; L54-L259 HydrophobicContact CD2-CG 4.3Å; L54-L262 HydrophobicContact CD1-CD2 4.33Å |
| 55 | V | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -61.5 | -45.9 | 177.7 | 172.3 | 0 | 0 | 0 | 0 | 110.7 | A51 A52 Q57 K58 L59 L156 I159 I160 F209 L255 L259 | A51-V55 WeakPolarHBondContact O-CG2 3.23Å; A51-V55 PolarHBondContact O-N 2.95Å; A52-V55 PolarHBondContact O-N 3.43Å; V55-Q57 VanDerWaalsContact C-N 3.34Å; V55-Q57 PolarHBondContact O-N 3.04Å; V55-K58 PolarHBondContact O-N 3.05Å; V55-L59 HydrophobicContact CG1-CD1 3.83Å; V55-L59 WeakPolarHBondContact O-CB 3.34Å; V55-L59 PolarHBondContact O-N 3.12Å; V55-L156 HydrophobicContact CB-CD1 4.34Å; V55-L156 HydrophobicContact CG1-CD1 4.08Å; V55-I159 HydrophobicContact CG1-CG2 4.04Å; V55-I160 HydrophobicContact CB-CG2 4.24Å; V55-I160 HydrophobicContact CG1-CG2 4.15Å; V55-I160 HydrophobicContact CG2-CG2 4.08Å; V55-F209 HydrophobicContact CG2-CE1 4.33Å; V55-F209 HydrophobicContact CG2-CZ 4.05Å; V55-L255 HydrophobicContact CG2-CD1 4.03Å; V55-L255 HydrophobicContact CG2-CD2 4.5Å; V55-L259 HydrophobicContact CG2-CD1 4.45Å; V55-L259 HydrophobicContact CG2-CD2 4.36Å |
| 56 | D | 98.8 | Very high | 98.5 | Very high | 3 Ų | 3 | 26.5 Ų | 26.5 | 2% | 0.016 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -54.5 | -48.3 | 175.7 | 175.7 | 95.2 | 0 | 0 | 0 | 112.2 | A52 L59 N60 L61 N62 I63 V64 L156 | A52-D56 VanDerWaalsContact O-CB 3.31Å; A52-D56 WeakPolarHBondContact O-CB 3.43Å; A52-D56 PolarHBondContact O-N 2.99Å; D56-L59 PolarHBondContact O-N 3.34Å; D56-N60 PolarHBondContact O-N 3.05Å; D56-L61 PolarHBondContact O-N 3.33Å; D56-L61 WeakPolarHBondContact OD1-CB 3.13Å; D56-N62 PolarHBondContact OD1-N 3.19Å; D56-N62 WeakPolarHBondContact OD2-CA 3.24Å; D56-N62 PolarHBondContact OD2-N 3.38Å; D56-I63 WeakPolarHBondContact OD1-CG1 3.23Å; D56-I63 PolarHBondContact OD1-N 2.76Å; D56-V64 HydrophobicContact CB-CB 3.82Å; D56-V64 HydrophobicContact CB-CG2 3.68Å; D56-V64 PolarHBondContact OD1-N 3.49Å; D56-L156 HydrophobicContact CB-CD1 4.35Å |
| 57 | Q | 98.7 | Very high | 98.5 | Very high | 71 Ų | 71 | 26.6 Ų | 26.6 | 33% | 0.332 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -66.3 | -43.6 | 179 | -74.3 | -173.1 | -48.6 | 0 | 0 | 112.2 | S53 L54 V55 L59 N60 | S53-Q57 WeakPolarHBondContact O-CB 2.92Å; S53-Q57 VanDerWaalsContact O-CG 3.24Å; S53-Q57 WeakPolarHBondContact O-CG 3.48Å; S53-Q57 PolarHBondContact O-N 3.45Å; S53-Q57 VanDerWaalsContact O-N 3.08Å; L54-Q57 PolarHBondContact O-N 3.14Å; V55-Q57 VanDerWaalsContact C-N 3.34Å; V55-Q57 PolarHBondContact O-N 3.04Å; Q57-L59 PolarHBondContact O-N 3.3Å; Q57-N60 PolarHBondContact O-N 3.18Å; Q57-N60 PolarHBondContact O-OD1 3.44Å |
| 58 | K | 98.4 | Very high | 98.6 | Very high | 37 Ų | 37 | 33.2 Ų | 33.2 | 16% | 0.161 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -66.9 | -28.1 | -177.6 | -153.6 | -176.9 | 174.4 | 75.3 | 0 | 112.1 | L54 V55 F251 E254 L255 D258 | L54-K58 WeakPolarHBondContact O-CB 3.23Å; L54-K58 PolarHBondContact O-N 3.3Å; V55-K58 PolarHBondContact O-N 3.05Å; K58-F251 HydrophobicContact CB-CZ 4.35Å; K58-F251 HydrophobicContact CD-CE2 4.13Å; K58-F251 HydrophobicContact CD-CZ 4.02Å; K58-F251 HydrophobicContact CG-CE2 3.79Å; K58-F251 HydrophobicContact CG-CZ 3.79Å; K58-F251 WeakPolarHBondContact O-CZ 3.46Å; K58-E254 IonicContact NZ-OE1 2.6Å; K58-E254 IonicContact NZ-OE2 3.94Å; K58-E254 PolarHBondContact NZ-OE2 2.9Å; K58-L255 HydrophobicContact CB-CD1 4.38Å; K58-L255 HydrophobicContact CD-CB 3.7Å; K58-L255 HydrophobicContact CD-CD1 3.56Å; K58-L255 HydrophobicContact CD-CG 4.14Å; K58-D258 IonicContact NZ-OD2 3.68Å; K58-D258 PolarHBondContact NZ-OD2 3.2Å |
| 59 | L | 98.4 | Very high | 98.6 | Very high | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | 1.1 | 176.5 | -70.7 | 170.4 | 0 | 0 | 0 | 114.1 | V55 D56 Q57 L61 I159 H245 I246 F251 | V55-L59 HydrophobicContact CG1-CD1 3.83Å; V55-L59 WeakPolarHBondContact O-CB 3.34Å; V55-L59 PolarHBondContact O-N 3.12Å; D56-L59 PolarHBondContact O-N 3.34Å; Q57-L59 PolarHBondContact O-N 3.3Å; L59-L61 HydrophobicContact CB-CD1 4.24Å; L59-L61 HydrophobicContact CB-CD2 4.15Å; L59-L61 HydrophobicContact CB-CG 3.78Å; L59-L61 HydrophobicContact CD1-CD1 4.32Å; L59-L61 PolarHBondContact O-N 2.82Å; L59-I159 HydrophobicContact CD1-CD1 3.4Å; L59-H245 HydrophobicContact CD2-CB 4.01Å; L59-I246 HydrophobicContact CD2-CG2 3.83Å; L59-F251 HydrophobicContact CD2-CE1 3.75Å; L59-F251 HydrophobicContact CD2-CZ 3.7Å; L59-F251 HydrophobicContact CG-CZ 4.28Å |
| 60 | N | 98.1 | Very high | 98.6 | Very high | 82 Ų | 82 | 36.9 Ų | 36.9 | 44% | 0.439 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.7 | 35.1 | -176.4 | -61.1 | -55.9 | 0 | 0 | 0 | 114.1 | D56 Q57 N62 L241 | D56-N60 PolarHBondContact O-N 3.05Å; Q57-N60 PolarHBondContact O-N 3.18Å; Q57-N60 PolarHBondContact O-OD1 3.44Å; N60-N62 VanDerWaalsContact C-ND2 3.34Å; N60-N62 PolarHBondContact O-ND2 3.39Å; N60-L241 HydrophobicContact CB-CD1 4.43Å |
| 61 | L | 98.5 | Very high | 98.5 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 21% | 0.206 | C | C | . | . | trans | -72.4 | -39.3 | 178.9 | -57.1 | 179.2 | 0 | 0 | 0 | 111 | D56 L59 I63 R152 I155 L156 V242 | D56-L61 PolarHBondContact O-N 3.33Å; D56-L61 WeakPolarHBondContact OD1-CB 3.13Å; L59-L61 HydrophobicContact CB-CD1 4.24Å; L59-L61 HydrophobicContact CB-CD2 4.15Å; L59-L61 HydrophobicContact CB-CG 3.78Å; L59-L61 HydrophobicContact CD1-CD1 4.32Å; L59-L61 PolarHBondContact O-N 2.82Å; L61-I63 VanDerWaalsContact C-N 3.31Å; L61-I63 HydrophobicContact CB-CG1 4.17Å; L61-I63 PolarHBondContact O-N 2.85Å; L61-R152 HydrophobicContact CB-CB 4.38Å; L61-R152 HydrophobicContact CD2-CB 4.29Å; L61-R152 HydrophobicContact CD2-CG 4.19Å; L61-R152 WeakPolarHBondContact O-CD 3.35Å; L61-R152 PolarHBondContact O-NH1 3.35Å; L61-I155 HydrophobicContact CD1-CG2 4.12Å; L61-I155 HydrophobicContact CD2-CG2 4.18Å; L61-L156 HydrophobicContact CD1-CB 3.83Å; L61-L156 HydrophobicContact CD1-CD1 4.45Å; L61-V242 HydrophobicContact CD2-CG2 4.01Å | ||
| 62 | N | 98.3 | Very high | 98.4 | Very high | 113 Ų | 113 | 47.5 Ų | 47.5 | 60% | 0.604 | 22% | 0.222 | S | C | * | . | trans | 58.3 | 38.3 | 176.3 | -59 | -72.1 | 0 | 0 | 0 | 113.7 | D56 N60 | D56-N62 PolarHBondContact OD1-N 3.19Å; D56-N62 WeakPolarHBondContact OD2-CA 3.24Å; D56-N62 PolarHBondContact OD2-N 3.38Å; N60-N62 VanDerWaalsContact C-ND2 3.34Å; N60-N62 PolarHBondContact O-ND2 3.39Å | ||
| 63 | I | 98.6 | Very high | 98.1 | Very high | 4 Ų | 4 | 50 Ų | 50 | 2% | 0.021 | 24% | 0.243 | C | C | . | . | trans | -113.8 | -21.2 | 177.5 | 59.2 | 168.3 | 0 | 0 | 0 | 112.4 | D56 L61 P65 R152 L153 L156 A201 A202 | D56-I63 WeakPolarHBondContact OD1-CG1 3.23Å; D56-I63 PolarHBondContact OD1-N 2.76Å; L61-I63 VanDerWaalsContact C-N 3.31Å; L61-I63 HydrophobicContact CB-CG1 4.17Å; L61-I63 PolarHBondContact O-N 2.85Å; I63-P65 WeakPolarHBondContact O-CD 3.34Å; I63-R152 VanDerWaalsContact CD1-C 3.47Å; I63-R152 HydrophobicContact CD1-CB 4.16Å; I63-R152 WeakPolarHBondContact CD1-O 3.23Å; I63-R152 HydrophobicContact CG2-CB 4.05Å; I63-L153 HydrophobicContact CD1-CB 4.08Å; I63-L153 HydrophobicContact CD1-CD1 4.42Å; I63-L156 HydrophobicContact CD1-CB 4.12Å; I63-L156 HydrophobicContact CD1-CD2 3.95Å; I63-L156 HydrophobicContact CG1-CD2 4.26Å; I63-A201 CarbonylContact O-C 3.54Å; I63-A201 VanDerWaalsContact O-CA 3.24Å; I63-A201 WeakPolarHBondContact O-CA 3.44Å; I63-A202 HydrophobicContact CD1-CB 4.12Å; I63-A202 HydrophobicContact CG1-CB 4.26Å; I63-A202 PolarHBondContact O-N 2.77Å | ||
| 64 | V | 98.7 | Very high | 97.8 | Very high | 8 Ų | 8 | 51 Ų | 51 | 5% | 0.048 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -86.9 | 118.8 | 173.8 | -176.7 | 0 | 0 | 0 | 0 | 109.1 | D56 R66 L156 A202 | D56-V64 HydrophobicContact CB-CB 3.82Å; D56-V64 HydrophobicContact CB-CG2 3.68Å; D56-V64 PolarHBondContact OD1-N 3.49Å; V64-R66 PolarHBondContact O-N 3.38Å; V64-L156 HydrophobicContact CG2-CD1 4.32Å; V64-L156 HydrophobicContact CG2-CD2 3.28Å; V64-L156 HydrophobicContact CG2-CG 4.43Å; V64-A202 HydrophobicContact CG2-CB 4.04Å |
| 65 | P | 98.6 | Very high | 97.4 | Very high | 13 Ų | 13 | 54.5 Ų | 54.5 | 8% | 0.084 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -56.5 | 132.7 | 171.1 | -21.1 | 32.5 | 0 | 0 | 0 | 109.5 | I63 T67 Q117 L118 V120 A201 I203 | I63-P65 WeakPolarHBondContact O-CD 3.34Å; P65-T67 PolarHBondContact O-N 3.17Å; P65-T67 PolarHBondContact O-OG1 3.4Å; P65-Q117 HydrophobicContact CB-CG 3.86Å; P65-Q117 HydrophobicContact CG-CG 4.43Å; P65-L118 VanDerWaalsContact CB-O 3.22Å; P65-L118 WeakPolarHBondContact CB-O 3.43Å; P65-V120 HydrophobicContact CB-CG1 3.87Å; P65-V120 HydrophobicContact CG-CG1 3.67Å; P65-V120 HydrophobicContact CG-CG2 4.24Å; P65-A201 HydrophobicContact CG-CB 4.36Å; P65-I203 HydrophobicContact CG-CG2 4.32Å |
| 66 | R | 98.6 | Very high | 97.1 | Very high | 166 Ų | 166 | 60.7 Ų | 60.7 | 63% | 0.626 | 31% | 0.314 | S | S | * | . | P | Polyproline II helix | trans | -48.9 | 121.3 | -170.7 | -72.2 | -174.2 | 176.3 | -173.1 | -2.6 | 110.7 | V64 L118 | V64-R66 PolarHBondContact O-N 3.38Å; R66-L118 HydrophobicContact CB-CD1 3.91Å; R66-L118 HydrophobicContact CB-CG 4.23Å; R66-L118 PolarHBondContact O-N 3.43Å |
| 67 | T | 98.8 | Very high | 96.8 | Very high | 4 Ų | 4 | 62.4 Ų | 62.4 | 3% | 0.025 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 128.1 | -175.6 | -55.4 | 0 | 0 | 0 | 0 | 110 | E49 S53 P65 F116 Q117 | E49-T67 HydrophobicContact CB-CG2 4.02Å; S53-T67 WeakPolarHBondContact CB-O 3.43Å; S53-T67 PolarHBondContact OG-N 3.1Å; P65-T67 PolarHBondContact O-N 3.17Å; P65-T67 PolarHBondContact O-OG1 3.4Å; T67-F116 VanDerWaalsContact CA-O 3.3Å; T67-F116 WeakPolarHBondContact CA-O 3.3Å; T67-Q117 HydrophobicContact CG2-CB 3.98Å; T67-Q117 VanDerWaalsContact OG1-CB 3.27Å; T67-Q117 WeakPolarHBondContact OG1-CB 3.48Å; T67-Q117 WeakPolarHBondContact OG1-CG 3.21Å; T67-Q117 PolarHBondContact OG1-NE2 2.76Å |
| 68 | K | 98.6 | Very high | 96.5 | Very high | 138 Ų | 138 | 62 Ų | 62 | 60% | 0.6 | 32% | 0.322 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 158.1 | 178.9 | -67.9 | -167.9 | 175.6 | -170.9 | 0 | 111.7 | S115 F116 | K68-S115 WeakPolarHBondContact O-CA 3.35Å; K68-F116 PolarHBondContact N-O 3.38Å; K68-F116 PolarHBondContact O-N 3.01Å |
| 69 | V | 98.1 | Very high | 96.1 | Very high | 42 Ų | 42 | 61 Ų | 61 | 26% | 0.255 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 123.9 | 168.6 | 178.9 | 0 | 0 | 0 | 0 | 108.8 | Y46 L47 A50 I113 G114 L262 | Y46-V69 HydrophobicContact CD2-CG1 4.13Å; Y46-V69 HydrophobicContact CD2-CG2 3.93Å; Y46-V69 HydrophobicContact CE2-CB 4.46Å; Y46-V69 HydrophobicContact CE2-CG1 3.73Å; Y46-V69 HydrophobicContact CE2-CG2 3.86Å; L47-V69 HydrophobicContact CD2-CG2 3.99Å; A50-V69 HydrophobicContact CB-CG2 3.86Å; V69-I113 HydrophobicContact CG1-CD1 3.76Å; V69-I113 HydrophobicContact CG1-CG1 3.66Å; V69-G114 WeakPolarHBondContact CA-O 3.49Å; V69-L262 HydrophobicContact CG2-CD1 3.77Å |
| 70 | V | 97.6 | Very high | 95.7 | Very high | 46 Ų | 46 | 62.5 Ų | 62.5 | 28% | 0.279 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 169.6 | 178.4 | -54.4 | 0 | 0 | 0 | 0 | 111.2 | F7 L72 I113 G114 F116 | F7-V70 HydrophobicContact CD2-CG2 3.8Å; F7-V70 HydrophobicContact CE2-CG2 3.54Å; V70-L72 HydrophobicContact CG2-CD1 4.19Å; V70-L72 HydrophobicContact CG2-CG 3.99Å; V70-I113 WeakPolarHBondContact O-CA 3.37Å; V70-G114 PolarHBondContact N-O 3.5Å; V70-G114 PolarHBondContact O-N 3.03Å; V70-F116 HydrophobicContact CB-CB 4.34Å; V70-F116 HydrophobicContact CG1-CB 3.96Å; V70-F116 HydrophobicContact CG2-CB 3.42Å; V70-F116 VanDerWaalsContact CG2-CB 3.42Å; V70-F116 HydrophobicContact CG2-CD2 4.37Å; V70-F116 HydrophobicContact CG2-CG 4.22Å |
| 71 | R | 97 | Very high | 95.3 | Very high | 164 Ų | 164 | 69.6 Ų | 69.6 | 62% | 0.619 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 113 | 175.1 | -70.3 | 179.5 | -175.1 | -101.4 | 1.7 | 109.8 | P111 K112 I113 | R71-P111 HydrophobicContact CB-CB 4.2Å; R71-K112 CarbonylContact C-O 3.58Å; R71-K112 VanDerWaalsContact CA-O 3.27Å; R71-K112 WeakPolarHBondContact CA-O 3.42Å; R71-I113 HydrophobicContact CG-CB 4.31Å; R71-I113 HydrophobicContact CG-CG1 4.41Å |
| 72 | L | 96.5 | Very high | 94.9 | Very high | 65 Ų | 65 | 74.9 Ų | 74.9 | 34% | 0.34 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 151.2 | -179.4 | -65.6 | 179.7 | 0 | 0 | 0 | 111.5 | F7 V70 F77 P111 K112 F116 | F7-L72 HydrophobicContact CB-CD1 4.25Å; F7-L72 HydrophobicContact CD1-CB 4.49Å; F7-L72 HydrophobicContact CD1-CD1 4.26Å; F7-L72 HydrophobicContact CD2-CD1 3.78Å; F7-L72 HydrophobicContact CD2-CG 4.4Å; F7-L72 HydrophobicContact CE1-CB 4.15Å; F7-L72 HydrophobicContact CE2-CB 4.42Å; F7-L72 HydrophobicContact CE2-CD1 4.19Å; F7-L72 HydrophobicContact CE2-CG 4.31Å; F7-L72 HydrophobicContact CG-CD1 3.83Å; F7-L72 HydrophobicContact CZ-CB 4.12Å; V70-L72 HydrophobicContact CG2-CD1 4.19Å; V70-L72 HydrophobicContact CG2-CG 3.99Å; L72-F77 HydrophobicContact CB-CE2 3.92Å; L72-F77 HydrophobicContact CB-CZ 4.21Å; L72-P111 CarbonylContact O-C 3.48Å; L72-P111 WeakPolarHBondContact O-CA 3.35Å; L72-K112 PolarHBondContact N-O 3.02Å; L72-K112 PolarHBondContact O-N 2.62Å; L72-F116 HydrophobicContact CD1-CD2 3.72Å; L72-F116 HydrophobicContact CD1-CE2 4Å |
| 73 | A | 93.8 | Very high | 94.5 | Very high | 52 Ų | 52 | 71.5 Ų | 71.5 | 43% | 0.43 | 36% | 0.358 | S | S | . | . | trans | -127.8 | 128.2 | 169.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | Y79 | A73-Y79 WeakPolarHBondContact CA-OH 3.33Š| ||
| 74 | A | 92.9 | Very high | 94.1 | Very high | 23 Ų | 23 | 74.8 Ų | 74.8 | 19% | 0.19 | 37% | 0.372 | C | S | . | . | trans | -145.6 | 139.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | T76 F77 Y79 | A74-T76 PolarHBondContact O-N 3.23Å; A74-F77 HydrophobicContact CB-CD1 4.09Å; A74-F77 HydrophobicContact CB-CD2 3.91Å; A74-F77 HydrophobicContact CB-CE1 3.89Å; A74-F77 HydrophobicContact CB-CE2 3.7Å; A74-F77 HydrophobicContact CB-CG 4.1Å; A74-F77 HydrophobicContact CB-CZ 3.68Å; A74-F77 PolarHBondContact O-N 3.36Å; A74-F77 VanDerWaalsContact O-N 3.08Å; A74-Y79 WeakPolarHBondContact O-CE2 3.41Å | ||
| 75 | P | 90.3 | Very high | 93.7 | Very high | 113 Ų | 113 | 76.7 Ų | 76.7 | 73% | 0.734 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -23.5 | 179.1 | -24.6 | 34.1 | 0 | 0 | 0 | 114.5 | F77 | P75-F77 VanDerWaalsContact C-N 3.35Š|
| 76 | T | 92 | Very high | 93.3 | Very high | 129 Ų | 129 | 82.2 Ų | 82.2 | 79% | 0.791 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -10.5 | -179.7 | 49.6 | 0 | 0 | 0 | 0 | 114.1 | A74 | A74-T76 PolarHBondContact O-N 3.23Š|
| 77 | F | 93.4 | Very high | 92.9 | Very high | 40 Ų | 40 | 75 Ų | 75 | 18% | 0.175 | 39% | 0.387 | C | S | . | . | S | Bend | trans | -76.8 | 156.7 | 176 | -58.6 | -24 | 0 | 0 | 0 | 112.1 | F7 L72 A74 P75 Y79 K112 | F7-F77 AromaticContact CD1-CE1 3.82Å; F7-F77 HydrophobicContact CD1-CE1 3.82Å; F7-F77 AromaticContact CD1-CE2 3.88Å; F7-F77 HydrophobicContact CD1-CE2 3.88Å; F7-F77 AromaticContact CD1-CZ 3.32Å; F7-F77 HydrophobicContact CD1-CZ 3.32Å; F7-F77 HydrophobicContact CE1-CD2 4.42Å; F7-F77 HydrophobicContact CE1-CE1 4.34Å; F7-F77 AromaticContact CE1-CE2 3.65Å; F7-F77 HydrophobicContact CE1-CE2 3.65Å; F7-F77 AromaticContact CE1-CZ 3.62Å; F7-F77 HydrophobicContact CE1-CZ 3.62Å; F7-F77 HydrophobicContact CG-CZ 4.35Å; L72-F77 HydrophobicContact CB-CE2 3.92Å; L72-F77 HydrophobicContact CB-CZ 4.21Å; A74-F77 HydrophobicContact CB-CD1 4.09Å; A74-F77 HydrophobicContact CB-CD2 3.91Å; A74-F77 HydrophobicContact CB-CE1 3.89Å; A74-F77 HydrophobicContact CB-CE2 3.7Å; A74-F77 HydrophobicContact CB-CG 4.1Å; A74-F77 HydrophobicContact CB-CZ 3.68Å; A74-F77 PolarHBondContact O-N 3.36Å; A74-F77 VanDerWaalsContact O-N 3.08Å; P75-F77 VanDerWaalsContact C-N 3.35Å; F77-Y79 HydrophobicContact CB-CD2 4.17Å; F77-Y79 HydrophobicContact CB-CE2 3.61Å; F77-Y79 HydrophobicContact CD2-CE2 4.4Å; F77-Y79 HydrophobicContact CG-CE2 4.48Å; F77-Y79 VanDerWaalsContact O-CD2 3.25Å; F77-Y79 WeakPolarHBondContact O-CD2 3.25Å; F77-Y79 PolarHBondContact O-N 3.18Å; F77-Y79 VanDerWaalsContact O-N 3.15Å; F77-K112 HydrophobicContact CB-CD 3.86Å; F77-K112 HydrophobicContact CD2-CD 3.91Å; F77-K112 HydrophobicContact CD2-CG 4.4Å; F77-K112 HydrophobicContact CG-CD 4.19Å |
| 78 | N | 91.2 | Very high | 92.4 | Very high | 63 Ų | 63 | 80 Ų | 80 | 34% | 0.337 | 41% | 0.411 | S | S | . | . | trans | -81.7 | 92.7 | -177.1 | -175.8 | 17.8 | 0 | 0 | 0 | 112.7 | E12 L18 K112 | E12-N78 HydrophobicContact CG-CB 4.26Å; E12-N78 PolarHBondContact OE1-N 3.26Å; L18-N78 PolarHBondContact O-ND2 2.95Å; N78-K112 PolarHBondContact O-NZ 3.42Å | ||
| 79 | Y | 90.3 | Very high | 92 | Very high | 14 Ų | 14 | 76.9 Ų | 76.9 | 6% | 0.055 | 40% | 0.403 | C | S | . | . | trans | -96.1 | 158.8 | 178.6 | -68.8 | -82.7 | 0 | 0 | 0 | 113.4 | A73 A74 F77 D83 L109 P110 K112 | A73-Y79 WeakPolarHBondContact CA-OH 3.33Å; A74-Y79 WeakPolarHBondContact O-CE2 3.41Å; F77-Y79 HydrophobicContact CB-CD2 4.17Å; F77-Y79 HydrophobicContact CB-CE2 3.61Å; F77-Y79 HydrophobicContact CD2-CE2 4.4Å; F77-Y79 HydrophobicContact CG-CE2 4.48Å; F77-Y79 VanDerWaalsContact O-CD2 3.25Å; F77-Y79 WeakPolarHBondContact O-CD2 3.25Å; F77-Y79 PolarHBondContact O-N 3.18Å; F77-Y79 VanDerWaalsContact O-N 3.15Å; Y79-D83 HydrophobicContact CD1-CB 4.29Å; Y79-L109 HydrophobicContact CD1-CD2 4.4Å; Y79-L109 HydrophobicContact CD2-CB 4.29Å; Y79-L109 HydrophobicContact CD2-CD1 3.74Å; Y79-L109 HydrophobicContact CD2-CD2 3.97Å; Y79-L109 HydrophobicContact CD2-CG 4.21Å; Y79-L109 HydrophobicContact CE1-CB 4.14Å; Y79-L109 HydrophobicContact CE2-CB 3.85Å; Y79-L109 HydrophobicContact CE2-CD1 3.67Å; Y79-L109 HydrophobicContact CE2-CD2 4.39Å; Y79-L109 HydrophobicContact CE2-CG 4.17Å; Y79-L109 HydrophobicContact CG-CD2 3.95Å; Y79-P110 HydrophobicContact CD1-CG 3.96Å; Y79-P110 HydrophobicContact CE1-CG 3.8Å; Y79-P110 WeakPolarHBondContact CE1-O 3.42Å; Y79-P110 VanDerWaalsContact CZ-O 3.28Å; Y79-P110 PolarHBondContact OH-O 2.87Å; Y79-K112 HydrophobicContact CE1-CD 4.09Å; Y79-K112 VanDerWaalsContact CE1-CE 3.41Å; Y79-K112 HydrophobicContact CE1-CG 3.83Å | ||
| 80 | S | 89.5 | Confident | 91.5 | Very high | 33 Ų | 33 | 78.6 Ų | 78.6 | 23% | 0.231 | 41% | 0.408 | C | S | . | . | trans | -70 | 154.2 | 172.6 | 74.8 | 0 | 0 | 0 | 0 | 111.1 | I82 D83 H84 | S80-I82 PolarHBondContact O-N 2.63Å; S80-I82 VanDerWaalsContact O-N 3.16Å; S80-D83 WeakPolarHBondContact CB-OD2 3.09Å; S80-D83 PolarHBondContact N-OD2 3.07Å; S80-D83 WeakPolarHBondContact O-CB 3.1Å; S80-D83 PolarHBondContact O-N 2.98Å; S80-D83 PolarHBondContact OG-N 2.71Å; S80-D83 VanDerWaalsContact OG-N 3.12Å; S80-D83 PolarHBondContact OG-OD2 2.97Å; S80-H84 PolarHBondContact O-CD2 3.02Å; S80-H84 PolarHBondContact O-N 3.31Å; S80-H84 VanDerWaalsContact O-N 3.17Å | ||
| 81 | R | 89.3 | Confident | 91 | Very high | 232 Ų | 232 | 80 Ų | 80 | 88% | 0.875 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -55.3 | -33.7 | 173.2 | -68.1 | -176.1 | -179.9 | 176.5 | -0.3 | 112 | H84 A85 | R81-H84 PolarHBondContact O-N 3.1Å; R81-A85 WeakPolarHBondContact O-CB 3.2Å; R81-A85 PolarHBondContact O-N 2.81Å |
| 82 | I | 90.2 | Very high | 90.6 | Very high | 111 Ų | 111 | 80.3 Ų | 80.3 | 57% | 0.569 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -67.2 | -40.6 | 178 | -59.2 | 170.4 | 0 | 0 | 0 | 110.7 | S80 A85 K86 | S80-I82 PolarHBondContact O-N 2.63Å; S80-I82 VanDerWaalsContact O-N 3.16Å; I82-A85 PolarHBondContact O-N 3.1Å; I82-K86 HydrophobicContact CG2-CD 4.11Å; I82-K86 HydrophobicContact CG2-CG 4.39Å; I82-K86 WeakPolarHBondContact O-CB 3.18Å; I82-K86 WeakPolarHBondContact O-CG 3.44Å; I82-K86 PolarHBondContact O-N 3.26Å |
| 83 | D | 90.6 | Very high | 90.2 | Very high | 42 Ų | 42 | 79.9 Ų | 79.9 | 23% | 0.225 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -64.9 | -42.8 | 177.7 | -65.2 | -43.7 | 0 | 0 | 0 | 111.5 | Y79 S80 K86 A87 P110 | Y79-D83 HydrophobicContact CD1-CB 4.29Å; S80-D83 WeakPolarHBondContact CB-OD2 3.09Å; S80-D83 PolarHBondContact N-OD2 3.07Å; S80-D83 WeakPolarHBondContact O-CB 3.1Å; S80-D83 PolarHBondContact O-N 2.98Å; S80-D83 PolarHBondContact OG-N 2.71Å; S80-D83 VanDerWaalsContact OG-N 3.12Å; S80-D83 PolarHBondContact OG-OD2 2.97Å; D83-K86 PolarHBondContact O-N 3.32Å; D83-A87 WeakPolarHBondContact O-CB 3.45Å; D83-A87 PolarHBondContact O-N 3.21Å; D83-P110 HydrophobicContact CB-CG 4.14Å |
| 84 | H | 89.9 | Confident | 89.9 | Confident | 72 Ų | 72 | 79.7 Ų | 79.7 | 33% | 0.333 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -60.8 | -48 | 173.8 | -77.3 | -75.8 | 0 | 0 | 0 | 111.6 | S80 R81 K86 A87 Q88 | S80-H84 PolarHBondContact O-CD2 3.02Å; S80-H84 PolarHBondContact O-N 3.31Å; S80-H84 VanDerWaalsContact O-N 3.17Å; R81-H84 PolarHBondContact O-N 3.1Å; H84-K86 PolarHBondContact O-N 3.5Å; H84-A87 PolarHBondContact O-N 2.96Å; H84-Q88 WeakPolarHBondContact O-CG 3.04Å; H84-Q88 PolarHBondContact O-N 3.04Å |
| 85 | A | 90.8 | Very high | 89.7 | Confident | 49 Ų | 49 | 83.6 Ų | 83.6 | 41% | 0.405 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -60.6 | -44.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | R81 I82 A87 Q88 T89 | R81-A85 WeakPolarHBondContact O-CB 3.2Å; R81-A85 PolarHBondContact O-N 2.81Å; I82-A85 PolarHBondContact O-N 3.1Å; A85-A87 PolarHBondContact O-N 2.95Å; A85-Q88 PolarHBondContact O-N 3.24Å; A85-T89 WeakPolarHBondContact O-CB 3.22Å; A85-T89 PolarHBondContact O-N 2.92Å; A85-T89 PolarHBondContact O-OG1 3.33Å |
| 86 | K | 89.7 | Confident | 89.7 | Confident | 129 Ų | 129 | 85.3 Ų | 85.3 | 56% | 0.561 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -62.1 | -43.3 | 176.5 | -77.8 | 179.2 | 178.9 | 178.5 | 0 | 112.2 | I82 D83 H84 T89 K90 | I82-K86 HydrophobicContact CG2-CD 4.11Å; I82-K86 HydrophobicContact CG2-CG 4.39Å; I82-K86 WeakPolarHBondContact O-CB 3.18Å; I82-K86 WeakPolarHBondContact O-CG 3.44Å; I82-K86 PolarHBondContact O-N 3.26Å; D83-K86 PolarHBondContact O-N 3.32Å; H84-K86 PolarHBondContact O-N 3.5Å; K86-T89 PolarHBondContact O-N 3.1Å; K86-K90 WeakPolarHBondContact O-CB 3.29Å; K86-K90 WeakPolarHBondContact O-CG 3.46Å; K86-K90 PolarHBondContact O-N 2.97Å |
| 87 | A | 90 | Very high | 89.6 | Confident | 13 Ų | 13 | 85 Ų | 85 | 11% | 0.107 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -61.8 | -45.9 | 178 | 0 | 0 | 0 | 0 | 0 | 111.4 | D83 H84 A85 Q91 L109 | D83-A87 WeakPolarHBondContact O-CB 3.45Å; D83-A87 PolarHBondContact O-N 3.21Å; H84-A87 PolarHBondContact O-N 2.96Å; A85-A87 PolarHBondContact O-N 2.95Å; A87-Q91 WeakPolarHBondContact O-CB 3.43Å; A87-Q91 PolarHBondContact O-N 2.96Å; A87-L109 HydrophobicContact CB-CD2 4.16Å; A87-L109 HydrophobicContact CB-CG 4.42Å |
| 88 | Q | 89.5 | Confident | 89.1 | Confident | 109 Ų | 109 | 86 Ų | 86 | 51% | 0.509 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -65.7 | -43.2 | 177.4 | -70.2 | 178 | 7.4 | 0 | 0 | 112.5 | H84 A85 Q91 R92 | H84-Q88 WeakPolarHBondContact O-CG 3.04Å; H84-Q88 PolarHBondContact O-N 3.04Å; A85-Q88 PolarHBondContact O-N 3.24Å; Q88-Q91 WeakPolarHBondContact O-CB 3.44Å; Q88-Q91 PolarHBondContact O-N 3.33Å; Q88-R92 WeakPolarHBondContact O-CG 3.32Å; Q88-R92 PolarHBondContact O-N 3.37Å |
| 89 | T | 89.6 | Confident | 88.8 | Confident | 73 Ų | 73 | 88.6 Ų | 88.6 | 45% | 0.448 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -62.8 | -43.9 | 178.4 | -64 | 0 | 0 | 0 | 0 | 111.5 | A85 K86 Q91 R92 I93 | A85-T89 WeakPolarHBondContact O-CB 3.22Å; A85-T89 PolarHBondContact O-N 2.92Å; A85-T89 PolarHBondContact O-OG1 3.33Å; K86-T89 PolarHBondContact O-N 3.1Å; T89-Q91 VanDerWaalsContact C-N 3.33Å; T89-Q91 PolarHBondContact O-N 3.37Å; T89-R92 PolarHBondContact O-N 3.44Å; T89-I93 HydrophobicContact CG2-CD1 3.85Å; T89-I93 HydrophobicContact CG2-CG1 4.47Å; T89-I93 VanDerWaalsContact O-CG1 3.31Å; T89-I93 WeakPolarHBondContact O-CG1 3.44Å; T89-I93 PolarHBondContact O-N 3.06Å |
| 90 | K | 87.9 | Confident | 88.3 | Confident | 79 Ų | 79 | 92.4 Ų | 92.4 | 34% | 0.343 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -62 | -41.4 | 175.6 | -76.3 | -177.7 | 172.8 | -170.7 | 0 | 112.1 | K86 I93 M94 F104 L107 | K86-K90 WeakPolarHBondContact O-CB 3.29Å; K86-K90 WeakPolarHBondContact O-CG 3.46Å; K86-K90 PolarHBondContact O-N 2.97Å; K90-I93 PolarHBondContact O-N 2.82Å; K90-M94 PolarHBondContact O-N 3.43Å; K90-F104 HydrophobicContact CB-CD2 4.28Å; K90-F104 HydrophobicContact CB-CE2 4.27Å; K90-F104 HydrophobicContact CG-CD2 4.41Å; K90-F104 HydrophobicContact CG-CE2 4.31Å; K90-F104 HydrophobicContact CG-CZ 4.44Å; K90-L107 HydrophobicContact CB-CD2 4.32Å |
| 91 | Q | 87.5 | Confident | 87.5 | Confident | 74 Ų | 74 | 90.9 Ų | 90.9 | 35% | 0.346 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -59.9 | -49.8 | 175.6 | -169.2 | 64.4 | 33.8 | 0 | 0 | 110.9 | A87 Q88 T89 I93 M94 D95 | A87-Q91 WeakPolarHBondContact O-CB 3.43Å; A87-Q91 PolarHBondContact O-N 2.96Å; Q88-Q91 WeakPolarHBondContact O-CB 3.44Å; Q88-Q91 PolarHBondContact O-N 3.33Å; T89-Q91 VanDerWaalsContact C-N 3.33Å; T89-Q91 PolarHBondContact O-N 3.37Å; Q91-I93 PolarHBondContact O-N 3.11Å; Q91-M94 WeakPolarHBondContact O-CB 3.41Å; Q91-M94 PolarHBondContact O-N 3.46Å; Q91-M94 VanDerWaalsContact O-N 3.13Å; Q91-D95 PolarHBondContact NE2-OD1 3.26Å; Q91-D95 PolarHBondContact O-N 3.21Å |
| 92 | R | 87.5 | Confident | 86.9 | Confident | 171 Ų | 171 | 89.3 Ų | 89.3 | 65% | 0.645 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -61 | -40.3 | 178.1 | -71.1 | 177.1 | -177.3 | 171.8 | 2 | 113.5 | Q88 T89 M94 D95 K96 | Q88-R92 WeakPolarHBondContact O-CG 3.32Å; Q88-R92 PolarHBondContact O-N 3.37Å; T89-R92 PolarHBondContact O-N 3.44Å; R92-M94 VanDerWaalsContact C-N 3.32Å; R92-D95 PolarHBondContact O-N 2.94Å; R92-K96 VanDerWaalsContact O-CB 3.3Å; R92-K96 WeakPolarHBondContact O-CB 3.36Å; R92-K96 PolarHBondContact O-N 3.21Å |
| 93 | I | 89.1 | Confident | 86.5 | Confident | 56 Ų | 56 | 91 Ų | 91 | 29% | 0.287 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -65.6 | -40.1 | 176.9 | -68.2 | 166.4 | 0 | 0 | 0 | 110.2 | T89 K90 Q91 Y97 I100 F104 | T89-I93 HydrophobicContact CG2-CD1 3.85Å; T89-I93 HydrophobicContact CG2-CG1 4.47Å; T89-I93 VanDerWaalsContact O-CG1 3.31Å; T89-I93 WeakPolarHBondContact O-CG1 3.44Å; T89-I93 PolarHBondContact O-N 3.06Å; K90-I93 PolarHBondContact O-N 2.82Å; Q91-I93 PolarHBondContact O-N 3.11Å; I93-Y97 CarbonylContact O-C 3.43Å; I93-Y97 WeakPolarHBondContact O-CA 3.43Å; I93-Y97 PolarHBondContact O-N 2.81Å; I93-I100 HydrophobicContact CG2-CB 4.48Å; I93-I100 HydrophobicContact CG2-CG2 4.15Å; I93-F104 HydrophobicContact CB-CE2 3.84Å; I93-F104 HydrophobicContact CB-CZ 4.12Å; I93-F104 HydrophobicContact CD1-CZ 4.15Å; I93-F104 HydrophobicContact CG2-CE2 3.64Å; I93-F104 HydrophobicContact CG2-CZ 3.71Å |
| 94 | M | 87.6 | Confident | 86 | Confident | 49 Ų | 49 | 91.7 Ų | 91.7 | 24% | 0.241 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -62.4 | -46 | 175 | -177.5 | -172.5 | 66.1 | 0 | 0 | 111.8 | K90 Q91 R92 K96 P98 L107 | K90-M94 PolarHBondContact O-N 3.43Å; Q91-M94 WeakPolarHBondContact O-CB 3.41Å; Q91-M94 PolarHBondContact O-N 3.46Å; Q91-M94 VanDerWaalsContact O-N 3.13Å; R92-M94 VanDerWaalsContact C-N 3.32Å; M94-K96 PolarHBondContact O-N 3.11Å; M94-P98 WeakPolarHBondContact O-CA 3.43Å; M94-L107 HydrophobicContact CB-CD2 4.03Å; M94-L107 HydrophobicContact CE-CD1 3.89Å; M94-L107 HydrophobicContact CE-CD2 4.31Å; M94-L107 HydrophobicContact CG-CD2 4.5Å; M94-L107 HydrophobicContact SD-CD1 3.17Å; M94-L107 WeakPolarHBondContact SD-CD1 3.23Å; M94-L107 HydrophobicContact SD-CD2 3.88Å; M94-L107 HydrophobicContact SD-CG 4.13Å |
| 95 | D | 88.6 | Confident | 85.3 | Confident | 105 Ų | 105 | 97.8 Ų | 97.8 | 56% | 0.561 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -67.1 | -37 | -177.8 | -59 | -23 | 0 | 0 | 0 | 111.6 | Q91 R92 | Q91-D95 PolarHBondContact NE2-OD1 3.26Å; Q91-D95 PolarHBondContact O-N 3.21Å; R92-D95 PolarHBondContact O-N 2.94Å |
| 96 | K | 89.8 | Confident | 84.6 | Confident | 148 Ų | 148 | 100 Ų | 100 | 64% | 0.643 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -87.5 | -35.4 | -177.1 | -166.1 | 173.5 | -178.4 | -176.5 | 0 | 114.2 | R92 M94 | R92-K96 VanDerWaalsContact O-CB 3.3Å; R92-K96 WeakPolarHBondContact O-CB 3.36Å; R92-K96 PolarHBondContact O-N 3.21Å; M94-K96 PolarHBondContact O-N 3.11Å |
| 97 | Y | 89.4 | Confident | 84.2 | Confident | 122 Ų | 122 | 97 Ų | 97 | 48% | 0.478 | 45% | 0.449 | S | S | . | . | trans | -133.1 | 73.8 | -176.5 | -57.8 | -74.7 | 0 | 0 | 0 | 110.1 | I93 N99 I100 G101 | I93-Y97 CarbonylContact O-C 3.43Å; I93-Y97 WeakPolarHBondContact O-CA 3.43Å; I93-Y97 PolarHBondContact O-N 2.81Å; Y97-N99 PolarHBondContact O-N 2.92Å; Y97-N99 VanDerWaalsContact O-N 3.09Å; Y97-I100 HydrophobicContact CG-CD1 4.44Å; Y97-I100 PolarHBondContact O-N 2.97Å; Y97-G101 PolarHBondContact O-N 3.48Å | ||
| 98 | P | 83.9 | Confident | 84.1 | Confident | 61 Ų | 61 | 98 Ų | 98 | 40% | 0.396 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -58.7 | -30.3 | -173.1 | 19 | -30.6 | 0 | 0 | 0 | 113.1 | M94 I100 G101 R102 | M94-P98 WeakPolarHBondContact O-CA 3.43Å; P98-I100 VanDerWaalsContact C-N 3.28Å; P98-I100 PolarHBondContact O-N 2.96Å; P98-G101 PolarHBondContact O-N 3.29Å; P98-R102 WeakPolarHBondContact O-CG 3.44Å; P98-R102 PolarHBondContact O-N 3Å |
| 99 | N | 85.1 | Confident | 84.3 | Confident | 118 Ų | 118 | 94.1 Ų | 94.1 | 63% | 0.631 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -61.4 | -36.4 | 176.4 | -56.5 | -14.6 | 0 | 0 | 0 | 112.2 | Y97 H103 | Y97-N99 PolarHBondContact O-N 2.92Å; Y97-N99 VanDerWaalsContact O-N 3.09Å; N99-H103 PolarHBondContact O-CE1 3.3Å; N99-H103 PolarHBondContact O-ND1 3.48Å |
| 100 | I | 79 | Confident | 84.4 | Confident | 94 Ų | 94 | 92.7 Ų | 92.7 | 48% | 0.482 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -83 | -43.8 | 176 | -58.1 | 174.3 | 0 | 0 | 0 | 109.5 | I93 Y97 P98 R102 H103 | I93-I100 HydrophobicContact CG2-CB 4.48Å; I93-I100 HydrophobicContact CG2-CG2 4.15Å; Y97-I100 HydrophobicContact CG-CD1 4.44Å; Y97-I100 PolarHBondContact O-N 2.97Å; P98-I100 VanDerWaalsContact C-N 3.28Å; P98-I100 PolarHBondContact O-N 2.96Å; I100-R102 VanDerWaalsContact C-N 3.31Å; I100-R102 PolarHBondContact O-N 2.64Å; I100-H103 WeakPolarHBondContact O-CB 3.16Å; I100-H103 PolarHBondContact O-N 2.69Å |
| 101 | G | 72.2 | Confident | 84.7 | Confident | 1 Ų | 1 | 91.2 Ų | 91.2 | 1% | 0.01 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -57.2 | -36.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y97 P98 H103 F104 | Y97-G101 PolarHBondContact O-N 3.48Å; P98-G101 PolarHBondContact O-N 3.29Å; G101-H103 PolarHBondContact O-N 3.42Å; G101-H103 VanDerWaalsContact O-N 3.16Å; G101-F104 WeakPolarHBondContact O-CB 3.05Å; G101-F104 WeakPolarHBondContact O-CD2 3.45Å; G101-F104 PolarHBondContact O-N 3.5Å |
| 102 | R | 78.1 | Confident | 85.1 | Confident | 199 Ų | 199 | 87.9 Ų | 87.9 | 75% | 0.751 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -20.7 | 176.8 | -74 | -178.3 | -151.8 | 148.2 | 5 | 113.8 | P98 I100 F104 | P98-R102 WeakPolarHBondContact O-CG 3.44Å; P98-R102 PolarHBondContact O-N 3Å; I100-R102 VanDerWaalsContact C-N 3.31Å; I100-R102 PolarHBondContact O-N 2.64Å; R102-F104 VanDerWaalsContact C-N 3.27Å |
| 103 | H | 80.7 | Confident | 85.5 | Confident | 146 Ų | 146 | 81.2 Ų | 81.2 | 68% | 0.676 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -11.4 | 175.3 | -63.4 | 83.6 | 0 | 0 | 0 | 112.6 | N99 I100 G101 H105 | N99-H103 PolarHBondContact O-CE1 3.3Å; N99-H103 PolarHBondContact O-ND1 3.48Å; I100-H103 WeakPolarHBondContact O-CB 3.16Å; I100-H103 PolarHBondContact O-N 2.69Å; G101-H103 PolarHBondContact O-N 3.42Å; G101-H103 VanDerWaalsContact O-N 3.16Å; H103-H105 PolarHBondContact O-N 3.39Å; H103-H105 VanDerWaalsContact O-N 3.1Å |
| 104 | F | 80.6 | Confident | 85.8 | Confident | 57 Ų | 57 | 78.5 Ų | 78.5 | 25% | 0.25 | 38% | 0.382 | C | S | . | . | trans | -72.3 | 108 | 172.5 | -61.3 | -39 | 0 | 0 | 0 | 109.9 | K90 I93 G101 R102 R106 L107 | K90-F104 HydrophobicContact CB-CD2 4.28Å; K90-F104 HydrophobicContact CB-CE2 4.27Å; K90-F104 HydrophobicContact CG-CD2 4.41Å; K90-F104 HydrophobicContact CG-CE2 4.31Å; K90-F104 HydrophobicContact CG-CZ 4.44Å; I93-F104 HydrophobicContact CB-CE2 3.84Å; I93-F104 HydrophobicContact CB-CZ 4.12Å; I93-F104 HydrophobicContact CD1-CZ 4.15Å; I93-F104 HydrophobicContact CG2-CE2 3.64Å; I93-F104 HydrophobicContact CG2-CZ 3.71Å; G101-F104 WeakPolarHBondContact O-CB 3.05Å; G101-F104 WeakPolarHBondContact O-CD2 3.45Å; G101-F104 PolarHBondContact O-N 3.5Å; R102-F104 VanDerWaalsContact C-N 3.27Å; F104-R106 PolarHBondContact O-N 2.64Å; F104-L107 HydrophobicContact CD2-CD2 4.25Å | ||
| 105 | H | 74.3 | Confident | 86.3 | Confident | 200 Ų | 200 | 76.3 Ų | 76.3 | 93% | 0.926 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -56.5 | -16.5 | 172.2 | -66.5 | -55.5 | 0 | 0 | 0 | 114.1 | H103 | H103-H105 PolarHBondContact O-N 3.39Å; H103-H105 VanDerWaalsContact O-N 3.1Å |
| 106 | R | 77 | Confident | 86.8 | Confident | 96 Ų | 96 | 73.7 Ų | 73.7 | 36% | 0.362 | 36% | 0.355 | S | S | . | . | trans | -156.7 | 129.2 | -178 | -176.7 | -175.7 | 174.5 | 113.9 | 8.7 | 112.6 | F104 L109 P111 | F104-R106 PolarHBondContact O-N 2.64Å; R106-L109 PolarHBondContact NE-O 2.69Å; R106-L109 PolarHBondContact NH2-O 3.02Å; R106-P111 VanDerWaalsContact NH2-CD 3.27Å | ||
| 107 | L | 80.8 | Confident | 87.2 | Confident | 65 Ų | 65 | 67.4 Ų | 67.4 | 34% | 0.34 | 33% | 0.328 | S | S | . | . | trans | -105.2 | 155.3 | 169.1 | -63.1 | 152.2 | 0 | 0 | 0 | 110 | K90 M94 F104 | K90-L107 HydrophobicContact CB-CD2 4.32Å; M94-L107 HydrophobicContact CB-CD2 4.03Å; M94-L107 HydrophobicContact CE-CD1 3.89Å; M94-L107 HydrophobicContact CE-CD2 4.31Å; M94-L107 HydrophobicContact CG-CD2 4.5Å; M94-L107 HydrophobicContact SD-CD1 3.17Å; M94-L107 WeakPolarHBondContact SD-CD1 3.23Å; M94-L107 HydrophobicContact SD-CD2 3.88Å; M94-L107 HydrophobicContact SD-CG 4.13Å; F104-L107 HydrophobicContact CD2-CD2 4.25Å | ||
| 108 | G | 88.7 | Confident | 87.7 | Confident | 36 Ų | 36 | 65.7 Ų | 65.7 | 37% | 0.371 | 33% | 0.326 | S | S | . | . | S | Bend | trans | 83.4 | -172.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 109 | L | 92.3 | Very high | 88.3 | Confident | 26 Ų | 26 | 67.3 Ų | 67.3 | 14% | 0.136 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -65.3 | 147.5 | -176.7 | -68.4 | 163.5 | 0 | 0 | 0 | 111.2 | Y79 A87 R106 | Y79-L109 HydrophobicContact CD1-CD2 4.4Å; Y79-L109 HydrophobicContact CD2-CB 4.29Å; Y79-L109 HydrophobicContact CD2-CD1 3.74Å; Y79-L109 HydrophobicContact CD2-CD2 3.97Å; Y79-L109 HydrophobicContact CD2-CG 4.21Å; Y79-L109 HydrophobicContact CE1-CB 4.14Å; Y79-L109 HydrophobicContact CE2-CB 3.85Å; Y79-L109 HydrophobicContact CE2-CD1 3.67Å; Y79-L109 HydrophobicContact CE2-CD2 4.39Å; Y79-L109 HydrophobicContact CE2-CG 4.17Å; Y79-L109 HydrophobicContact CG-CD2 3.95Å; A87-L109 HydrophobicContact CB-CD2 4.16Å; A87-L109 HydrophobicContact CB-CG 4.42Å; R106-L109 PolarHBondContact NE-O 2.69Å; R106-L109 PolarHBondContact NH2-O 3.02Å |
| 110 | P | 92.3 | Very high | 88.8 | Confident | 44 Ų | 44 | 63.5 Ų | 63.5 | 29% | 0.286 | 31% | 0.309 | S | S | . | . | P | Polyproline II helix | trans | -67 | 154.2 | -179.7 | 26.6 | -32.1 | 0 | 0 | 0 | 112.2 | Y79 D83 | Y79-P110 HydrophobicContact CD1-CG 3.96Å; Y79-P110 HydrophobicContact CE1-CG 3.8Å; Y79-P110 WeakPolarHBondContact CE1-O 3.42Å; Y79-P110 VanDerWaalsContact CZ-O 3.28Å; Y79-P110 PolarHBondContact OH-O 2.87Å; D83-P110 HydrophobicContact CB-CG 4.14Å |
| 111 | P | 94.7 | Very high | 89.5 | Confident | 47 Ų | 47 | 62.7 Ų | 62.7 | 31% | 0.305 | 31% | 0.311 | S | S | . | . | P | Polyproline II helix | trans | -81.4 | 134.4 | -178.1 | 36.3 | -27.3 | 0 | 0 | 0 | 108.3 | R71 L72 R106 | R71-P111 HydrophobicContact CB-CB 4.2Å; L72-P111 CarbonylContact O-C 3.48Å; L72-P111 WeakPolarHBondContact O-CA 3.35Å; R106-P111 VanDerWaalsContact NH2-CD 3.27Å |
| 112 | K | 94.9 | Very high | 90.6 | Very high | 5 Ų | 5 | 65.4 Ų | 65.4 | 2% | 0.022 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 132.9 | 173.4 | -63.5 | -174.2 | 169.4 | -142.5 | 0 | 108.9 | F7 P9 N11 E12 R71 L72 F77 N78 Y79 | F7-K112 HydrophobicContact CE1-CB 4.34Å; F7-K112 HydrophobicContact CZ-CB 4.41Å; F7-K112 WeakPolarHBondContact CZ-O 3.47Å; P9-K112 HydrophobicContact CB-CB 3.96Å; P9-K112 HydrophobicContact CB-CD 3.94Å; P9-K112 HydrophobicContact CG-CD 4.44Å; N11-K112 WeakPolarHBondContact OD1-CD 3.48Å; N11-K112 PolarHBondContact OD1-NZ 3.05Å; E12-K112 IonicContact OE1-NZ 2.64Å; E12-K112 PolarHBondContact OE1-NZ 2.96Å; R71-K112 CarbonylContact C-O 3.58Å; R71-K112 VanDerWaalsContact CA-O 3.27Å; R71-K112 WeakPolarHBondContact CA-O 3.42Å; L72-K112 PolarHBondContact N-O 3.02Å; L72-K112 PolarHBondContact O-N 2.62Å; F77-K112 HydrophobicContact CB-CD 3.86Å; F77-K112 HydrophobicContact CD2-CD 3.91Å; F77-K112 HydrophobicContact CD2-CG 4.4Å; F77-K112 HydrophobicContact CG-CD 4.19Å; N78-K112 PolarHBondContact O-NZ 3.42Å; Y79-K112 HydrophobicContact CE1-CD 4.09Å; Y79-K112 VanDerWaalsContact CE1-CE 3.41Å; Y79-K112 HydrophobicContact CE1-CG 3.83Å |
| 113 | I | 96.1 | Very high | 91.4 | Very high | 30 Ų | 30 | 58.6 Ų | 58.6 | 15% | 0.154 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 141.9 | 167.4 | -168.2 | 170.6 | 0 | 0 | 0 | 108.9 | P9 K10 Y46 V69 V70 R71 | P9-I113 WeakPolarHBondContact CA-O 3.36Å; K10-I113 HydrophobicContact CB-CG2 3.9Å; K10-I113 WeakPolarHBondContact CB-O 3.25Å; K10-I113 HydrophobicContact CD-CG2 4.03Å; K10-I113 PolarHBondContact N-O 3.41Å; Y46-I113 HydrophobicContact CE2-CD1 4.07Å; Y46-I113 HydrophobicContact CE2-CG1 4.03Å; V69-I113 HydrophobicContact CG1-CD1 3.76Å; V69-I113 HydrophobicContact CG1-CG1 3.66Å; V70-I113 WeakPolarHBondContact O-CA 3.37Å; R71-I113 HydrophobicContact CG-CB 4.31Å; R71-I113 HydrophobicContact CG-CG1 4.41Å |
| 114 | G | 96.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -175.6 | 177 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | K8 V69 V70 | K8-G114 CarbonylContact O-C 3.43Å; K8-G114 WeakPolarHBondContact O-CA 3.45Å; V69-G114 WeakPolarHBondContact CA-O 3.49Å; V70-G114 PolarHBondContact N-O 3.5Å; V70-G114 PolarHBondContact O-N 3.03Å |
| 115 | S | 98.2 | Very high | 92.7 | Very high | 2 Ų | 2 | 58 Ų | 58 | 1% | 0.014 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 138.4 | 173.1 | 52.7 | 0 | 0 | 0 | 0 | 109.1 | F7 K8 Y46 K68 | F7-S115 CarbonylContact C-O 3.55Å; F7-S115 VanDerWaalsContact CA-O 3.29Å; F7-S115 WeakPolarHBondContact CA-O 3.42Å; F7-S115 VanDerWaalsContact CD2-O 3.25Å; F7-S115 WeakPolarHBondContact CD2-O 3.32Å; K8-S115 PolarHBondContact N-O 2.91Å; K8-S115 PolarHBondContact O-N 3.46Å; Y46-S115 WeakPolarHBondContact O-CB 3.44Å; K68-S115 WeakPolarHBondContact O-CA 3.35Å |
| 116 | F | 98.6 | Very high | 93.8 | Very high | 50 Ų | 50 | 48.5 Ų | 48.5 | 22% | 0.219 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 111.6 | 171.4 | -171.5 | -82.4 | 0 | 0 | 0 | 108.7 | I4 V6 F7 T67 K68 V70 L72 L118 | I4-F116 HydrophobicContact CD1-CZ 4.45Å; I4-F116 HydrophobicContact CG1-CZ 4.36Å; V6-F116 WeakPolarHBondContact O-CA 3.32Å; F7-F116 HydrophobicContact CB-CD2 3.95Å; F7-F116 HydrophobicContact CD2-CB 4.16Å; F7-F116 HydrophobicContact CD2-CD2 4.12Å; F7-F116 HydrophobicContact CG-CD2 4.43Å; T67-F116 VanDerWaalsContact CA-O 3.3Å; T67-F116 WeakPolarHBondContact CA-O 3.3Å; K68-F116 PolarHBondContact N-O 3.38Å; K68-F116 PolarHBondContact O-N 3.01Å; V70-F116 HydrophobicContact CB-CB 4.34Å; V70-F116 HydrophobicContact CG1-CB 3.96Å; V70-F116 HydrophobicContact CG2-CB 3.42Å; V70-F116 VanDerWaalsContact CG2-CB 3.42Å; V70-F116 HydrophobicContact CG2-CD2 4.37Å; V70-F116 HydrophobicContact CG2-CG 4.22Å; L72-F116 HydrophobicContact CD1-CD2 3.72Å; L72-F116 HydrophobicContact CD1-CE2 4Å; F116-L118 HydrophobicContact CE1-CD2 4.2Å |
| 117 | Q | 98.7 | Very high | 94.6 | Very high | 17 Ų | 17 | 47.9 Ų | 47.9 | 8% | 0.079 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 132 | 178.8 | 178.1 | 165 | 94.7 | 0 | 0 | 109.2 | G5 V6 P65 T67 | G5-Q117 CarbonylContact C-O 3.49Å; G5-Q117 WeakPolarHBondContact CA-O 3.44Å; V6-Q117 PolarHBondContact N-O 2.97Å; V6-Q117 PolarHBondContact O-N 3.16Å; P65-Q117 HydrophobicContact CB-CG 3.86Å; P65-Q117 HydrophobicContact CG-CG 4.43Å; T67-Q117 HydrophobicContact CG2-CB 3.98Å; T67-Q117 VanDerWaalsContact OG1-CB 3.27Å; T67-Q117 WeakPolarHBondContact OG1-CB 3.48Å; T67-Q117 WeakPolarHBondContact OG1-CG 3.21Å; T67-Q117 PolarHBondContact OG1-NE2 2.76Å |
| 118 | L | 98.4 | Very high | 95.1 | Very high | 85 Ų | 85 | 47.9 Ų | 47.9 | 45% | 0.445 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 137.8 | 172.9 | -65.7 | -175.2 | 0 | 0 | 0 | 110.8 | P65 R66 F116 | P65-L118 VanDerWaalsContact CB-O 3.22Å; P65-L118 WeakPolarHBondContact CB-O 3.43Å; R66-L118 HydrophobicContact CB-CD1 3.91Å; R66-L118 HydrophobicContact CB-CG 4.23Å; R66-L118 PolarHBondContact O-N 3.43Å; F116-L118 HydrophobicContact CE1-CD2 4.2Å |
| 119 | F | 96.9 | Very high | 95.3 | Very high | 96 Ų | 96 | 47.4 Ų | 47.4 | 42% | 0.421 | 27% | 0.265 | S | S | . | . | P | Polyproline II helix | trans | -76.3 | 140.4 | 176.8 | -172.1 | -95.5 | 0 | 0 | 0 | 110.2 | T3 I4 V6 | T3-F119 HydrophobicContact CG2-CB 4.09Å; T3-F119 HydrophobicContact CG2-CD1 4.26Å; T3-F119 HydrophobicContact CG2-CD2 3.5Å; T3-F119 HydrophobicContact CG2-CE2 3.94Å; T3-F119 HydrophobicContact CG2-CG 3.69Å; T3-F119 HydrophobicContact CG2-CZ 4.49Å; T3-F119 WeakPolarHBondContact O-CB 2.93Å; T3-F119 WeakPolarHBondContact O-CD1 3.44Å; I4-F119 PolarHBondContact O-N 3.23Å; V6-F119 HydrophobicContact CG2-CD2 4.44Å |
| 120 | V | 96.1 | Very high | 95.4 | Very high | 38 Ų | 38 | 46.8 Ų | 46.8 | 23% | 0.23 | 26% | 0.261 | C | S | . | . | trans | -113.5 | 126.3 | 176.3 | -68.4 | 0 | 0 | 0 | 0 | 110.3 | P65 Y123 L171 A201 | P65-V120 HydrophobicContact CB-CG1 3.87Å; P65-V120 HydrophobicContact CG-CG1 3.67Å; P65-V120 HydrophobicContact CG-CG2 4.24Å; V120-Y123 HydrophobicContact CB-CD2 3.7Å; V120-Y123 HydrophobicContact CB-CE2 3.8Å; V120-Y123 HydrophobicContact CG2-CD2 3.74Å; V120-Y123 HydrophobicContact CG2-CE2 4.16Å; V120-Y123 HydrophobicContact CG2-CG 4.06Å; V120-L171 HydrophobicContact CG2-CD1 4.18Å; V120-A201 HydrophobicContact CG2-CB 4.08Å | ||
| 121 | S | 94.2 | Very high | 95.4 | Very high | 76 Ų | 76 | 47.1 Ų | 47.1 | 53% | 0.531 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -95.9 | 148.3 | -176.9 | -61.8 | 0 | 0 | 0 | 0 | 111.7 | Y123 | S121-Y123 VanDerWaalsContact C-N 3.33Å; S121-Y123 WeakPolarHBondContact O-CD2 3.3Å |
| 122 | G | 93.4 | Very high | 95.3 | Very high | 59 Ų | 59 | 48.5 Ų | 48.5 | 61% | 0.608 | 27% | 0.27 | S | S | * | . | S | Bend | trans | 82.9 | 5.3 | 178 | 0 | 0 | 0 | 0 | 0 | 115.1 | R173 | G122-R173 WeakPolarHBondContact O-CG 3.24Š|
| 123 | Y | 95.7 | Very high | 95.2 | Very high | 55 Ų | 55 | 48.5 Ų | 48.5 | 22% | 0.216 | 27% | 0.27 | C | S | . | . | trans | -92.9 | 150.9 | 176.8 | -75.2 | -99 | 0 | 0 | 0 | 111.6 | V120 S121 L171 R173 S199 A201 | V120-Y123 HydrophobicContact CB-CD2 3.7Å; V120-Y123 HydrophobicContact CB-CE2 3.8Å; V120-Y123 HydrophobicContact CG2-CD2 3.74Å; V120-Y123 HydrophobicContact CG2-CE2 4.16Å; V120-Y123 HydrophobicContact CG2-CG 4.06Å; S121-Y123 VanDerWaalsContact C-N 3.33Å; S121-Y123 WeakPolarHBondContact O-CD2 3.3Å; Y123-L171 HydrophobicContact CD1-CB 3.84Å; Y123-L171 HydrophobicContact CG-CB 4.2Å; Y123-R173 HydrophobicContact CD1-CB 3.63Å; Y123-R173 HydrophobicContact CD2-CB 4Å; Y123-R173 HydrophobicContact CE1-CB 3.62Å; Y123-R173 HydrophobicContact CE2-CB 3.98Å; Y123-R173 HydrophobicContact CG-CB 3.83Å; Y123-S199 PolarHBondContact OH-OG 3.15Å; Y123-A201 HydrophobicContact CD1-CB 3.84Å; Y123-A201 HydrophobicContact CE1-CB 3.67Å | ||
| 124 | K | 95 | Very high | 94.9 | Very high | 115 Ų | 115 | 52.4 Ų | 52.4 | 50% | 0.5 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 158 | 170.4 | -62.8 | -179.3 | -179.9 | 176.3 | 0 | 109.9 | A126 L171 I172 | K124-A126 PolarHBondContact O-N 2.97Å; K124-L171 CarbonylContact O-C 3.14Å; K124-L171 VanDerWaalsContact O-CA 3.26Å; K124-L171 WeakPolarHBondContact O-CA 3.49Å; K124-L171 WeakPolarHBondContact O-CB 3.29Å; K124-I172 PolarHBondContact N-O 3.04Å; K124-I172 PolarHBondContact O-N 3.12Å |
| 125 | D | 94.6 | Very high | 94.7 | Very high | 76 Ų | 76 | 60.4 Ų | 60.4 | 41% | 0.406 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -49.6 | 136.7 | 174.6 | -60.8 | 3.4 | 0 | 0 | 0 | 110.9 | N127 C128 | D125-N127 PolarHBondContact O-N 3.03Å; D125-C128 WeakPolarHBondContact O-CB 3.5Å; D125-C128 PolarHBondContact O-N 2.89Å |
| 126 | A | 95.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -58.6 | -35.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | K124 C128 W129 L130 S167 W170 I172 | K124-A126 PolarHBondContact O-N 2.97Å; A126-C128 PolarHBondContact O-N 3.44Å; A126-W129 PolarHBondContact O-N 3.39Å; A126-W129 VanDerWaalsContact O-N 3.12Å; A126-L130 HydrophobicContact CB-CD1 4.28Å; A126-L130 WeakPolarHBondContact O-CB 3.21Å; A126-L130 VanDerWaalsContact O-CG 3.23Å; A126-L130 WeakPolarHBondContact O-CG 3.27Å; A126-L130 PolarHBondContact O-N 2.9Å; A126-S167 WeakPolarHBondContact CB-O 3.21Å; A126-S167 PolarHBondContact N-O 3.32Å; A126-W170 HydrophobicContact CB-CD2 3.34Å; A126-W170 HydrophobicContact CB-CE3 3.45Å; A126-W170 VanDerWaalsContact CB-CE3 3.45Å; A126-W170 HydrophobicContact CB-CG 4.06Å; A126-W170 HydrophobicContact CB-CH2 3.6Å; A126-W170 HydrophobicContact CB-CZ2 3.47Å; A126-W170 VanDerWaalsContact CB-CZ2 3.47Å; A126-W170 HydrophobicContact CB-CZ3 3.59Å; A126-W170 VanDerWaalsContact CB-O 3.27Å; A126-W170 WeakPolarHBondContact CB-O 3.4Å; A126-W170 PolarHBondContact N-O 3.06Å; A126-I172 HydrophobicContact CB-CD1 3.76Å; A126-I172 HydrophobicContact CB-CG1 3.98Å |
| 127 | N | 93.5 | Very high | 94 | Very high | 84 Ų | 84 | 66.8 Ų | 66.8 | 45% | 0.449 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -50.3 | -40.6 | 172.4 | -87.6 | -27.7 | 0 | 0 | 0 | 113.7 | D125 A131 S167 | D125-N127 PolarHBondContact O-N 3.03Å; N127-A131 WeakPolarHBondContact O-CB 3.47Å; N127-A131 PolarHBondContact O-N 2.92Å; N127-S167 PolarHBondContact N-O 2.84Å; N127-S167 VanDerWaalsContact N-O 3.12Å; N127-S167 WeakPolarHBondContact ND2-CB 3.31Å; N127-S167 WeakPolarHBondContact OD1-CB 3.46Å |
| 128 | C | 92.7 | Very high | 93.6 | Very high | 64 Ų | 64 | 66.9 Ų | 66.9 | 43% | 0.432 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -64.5 | -45.1 | 179.9 | -71.9 | 0 | 0 | 0 | 0 | 111.6 | D125 A126 Q132 | D125-C128 WeakPolarHBondContact O-CB 3.5Å; D125-C128 PolarHBondContact O-N 2.89Å; A126-C128 PolarHBondContact O-N 3.44Å; C128-Q132 WeakPolarHBondContact O-CG 3.45Å; C128-Q132 PolarHBondContact O-N 2.99Å |
| 129 | W | 93.4 | Very high | 93.3 | Very high | 27 Ų | 27 | 67.9 Ų | 67.9 | 10% | 0.102 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -76.9 | -38.6 | -178.3 | -80.7 | 112.1 | 0 | 0 | 0 | 112.8 | A126 A131 Q132 F133 I172 C174 | A126-W129 PolarHBondContact O-N 3.39Å; A126-W129 VanDerWaalsContact O-N 3.12Å; W129-A131 VanDerWaalsContact C-N 3.32Å; W129-A131 PolarHBondContact O-N 3.5Å; W129-Q132 VanDerWaalsContact CE3-OE1 3.28Å; W129-Q132 CarbonylContact O-C 3.43Å; W129-Q132 WeakPolarHBondContact O-CA 3.39Å; W129-Q132 WeakPolarHBondContact O-CB 3.46Å; W129-Q132 PolarHBondContact O-N 3.22Å; W129-Q132 VanDerWaalsContact O-N 3.08Å; W129-F133 HydrophobicContact CB-CE2 4.04Å; W129-F133 HydrophobicContact CB-CZ 3.97Å; W129-F133 HydrophobicContact CD2-CE1 4.44Å; W129-F133 HydrophobicContact CD2-CZ 4.25Å; W129-F133 HydrophobicContact CE3-CD1 4.5Å; W129-F133 AromaticContact CE3-CE1 3.58Å; W129-F133 HydrophobicContact CE3-CE1 3.58Å; W129-F133 AromaticContact CE3-CZ 3.82Å; W129-F133 HydrophobicContact CE3-CZ 3.82Å; W129-F133 HydrophobicContact CG-CZ 4.37Å; W129-F133 HydrophobicContact CZ3-CE1 4.2Å; W129-F133 WeakPolarHBondContact O-CD1 3.32Å; W129-F133 WeakPolarHBondContact O-CD2 3.31Å; W129-F133 WeakPolarHBondContact O-CG 3.49Å; W129-F133 PolarHBondContact O-N 3.26Å; W129-I172 HydrophobicContact CB-CB 4.08Å; W129-I172 HydrophobicContact CB-CD1 3.86Å; W129-I172 HydrophobicContact CB-CG2 4.12Å; W129-I172 VanDerWaalsContact CD1-O 3.28Å; W129-I172 HydrophobicContact CG-CB 3.98Å; W129-I172 HydrophobicContact CG-CG2 3.9Å; W129-I172 PolarHBondContact NE1-O 3.24Å; W129-I172 VanDerWaalsContact NE1-O 3.08Å; W129-C174 HydrophobicContact CD2-CB 4.18Å; W129-C174 HydrophobicContact CE3-CB 4.11Å; W129-C174 HydrophobicContact CH2-CB 3.6Å; W129-C174 HydrophobicContact CZ2-CB 3.66Å; W129-C174 HydrophobicContact CZ3-CB 3.83Å |
| 130 | L | 93.6 | Very high | 93 | Very high | 13 Ų | 13 | 65.8 Ų | 65.8 | 7% | 0.068 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -59.5 | -43.2 | 176.9 | -71.2 | 171.3 | 0 | 0 | 0 | 111.4 | A126 Q132 F133 D134 F146 W170 I172 L227 | A126-L130 HydrophobicContact CB-CD1 4.28Å; A126-L130 WeakPolarHBondContact O-CB 3.21Å; A126-L130 VanDerWaalsContact O-CG 3.23Å; A126-L130 WeakPolarHBondContact O-CG 3.27Å; A126-L130 PolarHBondContact O-N 2.9Å; L130-Q132 VanDerWaalsContact C-N 3.28Å; L130-Q132 PolarHBondContact O-N 2.97Å; L130-F133 PolarHBondContact O-N 2.95Å; L130-F133 VanDerWaalsContact O-N 3.15Å; L130-D134 PolarHBondContact O-N 2.7Å; L130-F146 HydrophobicContact CD2-CE1 4.24Å; L130-F146 HydrophobicContact CD2-CZ 3.92Å; L130-W170 HydrophobicContact CD1-CH2 4.02Å; L130-W170 HydrophobicContact CD1-CZ2 3.82Å; L130-W170 HydrophobicContact CD2-CH2 4.38Å; L130-W170 HydrophobicContact CG-CH2 4.44Å; L130-I172 HydrophobicContact CG-CD1 4.45Å; L130-L227 HydrophobicContact CD1-CD1 3.85Å; L130-L227 HydrophobicContact CD1-CD2 3.92Å; L130-L227 HydrophobicContact CD2-CD1 4.42Å |
| 131 | A | 92.8 | Very high | 92.8 | Very high | 50 Ų | 50 | 69.1 Ų | 69.1 | 41% | 0.413 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -61.6 | -36.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | N127 W129 | N127-A131 WeakPolarHBondContact O-CB 3.47Å; N127-A131 PolarHBondContact O-N 2.92Å; W129-A131 VanDerWaalsContact C-N 3.32Å; W129-A131 PolarHBondContact O-N 3.5Å |
| 132 | Q | 91.6 | Very high | 92.8 | Very high | 77 Ų | 77 | 65.6 Ų | 65.6 | 36% | 0.36 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -68.9 | -40.1 | 173.7 | -68.6 | 179.2 | 17.2 | 0 | 0 | 111.7 | C128 W129 L130 D134 Q135 E136 | C128-Q132 WeakPolarHBondContact O-CG 3.45Å; C128-Q132 PolarHBondContact O-N 2.99Å; W129-Q132 VanDerWaalsContact CE3-OE1 3.28Å; W129-Q132 CarbonylContact O-C 3.43Å; W129-Q132 WeakPolarHBondContact O-CA 3.39Å; W129-Q132 WeakPolarHBondContact O-CB 3.46Å; W129-Q132 PolarHBondContact O-N 3.22Å; W129-Q132 VanDerWaalsContact O-N 3.08Å; L130-Q132 VanDerWaalsContact C-N 3.28Å; L130-Q132 PolarHBondContact O-N 2.97Å; Q132-D134 PolarHBondContact O-N 2.87Å; Q132-Q135 PolarHBondContact O-N 3.21Å; Q132-Q135 VanDerWaalsContact O-N 3.11Å; Q132-E136 PolarHBondContact O-N 2.82Å |
| 133 | F | 92.4 | Very high | 92.8 | Very high | 4 Ų | 4 | 68.4 Ų | 68.4 | 2% | 0.018 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -71.4 | -13.6 | 178.5 | -58.6 | -20.3 | 0 | 0 | 0 | 114.1 | W129 L130 E136 P137 L138 F146 I172 K228 | W129-F133 HydrophobicContact CB-CE2 4.04Å; W129-F133 HydrophobicContact CB-CZ 3.97Å; W129-F133 HydrophobicContact CD2-CE1 4.44Å; W129-F133 HydrophobicContact CD2-CZ 4.25Å; W129-F133 HydrophobicContact CE3-CD1 4.5Å; W129-F133 AromaticContact CE3-CE1 3.58Å; W129-F133 HydrophobicContact CE3-CE1 3.58Å; W129-F133 AromaticContact CE3-CZ 3.82Å; W129-F133 HydrophobicContact CE3-CZ 3.82Å; W129-F133 HydrophobicContact CG-CZ 4.37Å; W129-F133 HydrophobicContact CZ3-CE1 4.2Å; W129-F133 WeakPolarHBondContact O-CD1 3.32Å; W129-F133 WeakPolarHBondContact O-CD2 3.31Å; W129-F133 WeakPolarHBondContact O-CG 3.49Å; W129-F133 PolarHBondContact O-N 3.26Å; L130-F133 PolarHBondContact O-N 2.95Å; L130-F133 VanDerWaalsContact O-N 3.15Å; F133-E136 WeakPolarHBondContact CA-O 3.26Å; F133-P137 VanDerWaalsContact O-CA 3.32Å; F133-P137 WeakPolarHBondContact O-CA 3.28Å; F133-L138 HydrophobicContact CD1-CD1 4.24Å; F133-L138 HydrophobicContact CD1-CD2 3.95Å; F133-L138 HydrophobicContact CD1-CG 3.74Å; F133-L138 HydrophobicContact CD2-CD1 3.97Å; F133-L138 HydrophobicContact CD2-CG 4.26Å; F133-L138 HydrophobicContact CE1-CD1 3.96Å; F133-L138 HydrophobicContact CE1-CD2 3.58Å; F133-L138 HydrophobicContact CE1-CG 3.73Å; F133-L138 HydrophobicContact CE2-CD1 3.66Å; F133-L138 HydrophobicContact CE2-CG 4.24Å; F133-L138 HydrophobicContact CG-CD1 4.26Å; F133-L138 HydrophobicContact CG-CG 4.03Å; F133-L138 HydrophobicContact CZ-CD1 3.66Å; F133-L138 HydrophobicContact CZ-CD2 4.04Å; F133-L138 HydrophobicContact CZ-CG 3.99Å; F133-F146 HydrophobicContact CD2-CE1 4.27Å; F133-F146 HydrophobicContact CE2-CD1 4.46Å; F133-F146 HydrophobicContact CE2-CD2 4.46Å; F133-F146 HydrophobicContact CE2-CE1 4.35Å; F133-F146 HydrophobicContact CE2-CE2 4.37Å; F133-F146 HydrophobicContact CE2-CZ 4.31Å; F133-I172 HydrophobicContact CE2-CD1 4.38Å; F133-K228 PolarHBondContact O-NZ 3.45Å |
| 134 | D | 90.7 | Very high | 92.8 | Very high | 112 Ų | 112 | 69.4 Ų | 69.4 | 60% | 0.599 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -80.8 | -30.7 | 169.2 | -75.8 | -20.6 | 0 | 0 | 0 | 111.9 | L130 Q132 K228 | L130-D134 PolarHBondContact O-N 2.7Å; Q132-D134 PolarHBondContact O-N 2.87Å; D134-K228 IonicContact OD1-NZ 2.73Å; D134-K228 PolarHBondContact OD1-NZ 3.32Å |
| 135 | Q | 91.8 | Very high | 92.9 | Very high | 168 Ų | 168 | 65.9 Ų | 65.9 | 79% | 0.785 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -83.7 | -45.8 | 175.8 | -62.8 | 176.5 | 28.8 | 0 | 0 | 112 | Q132 | Q132-Q135 PolarHBondContact O-N 3.21Å; Q132-Q135 VanDerWaalsContact O-N 3.11Å |
| 136 | E | 90.8 | Very high | 93 | Very high | 108 Ų | 108 | 62.5 Ų | 62.5 | 51% | 0.505 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -125.8 | 89.1 | 178.6 | -171 | -174.5 | -156.2 | 0 | 0 | 108.9 | Q132 F133 L138 R176 | Q132-E136 PolarHBondContact O-N 2.82Å; F133-E136 WeakPolarHBondContact CA-O 3.26Å; E136-L138 PolarHBondContact O-N 3.07Å; E136-R176 IonicContact OE2-CZ 3.75Å; E136-R176 IonicContact OE2-NH1 3.64Å; E136-R176 PolarHBondContact OE2-NH1 3Å; E136-R176 IonicContact OE2-NH2 2.69Å |
| 137 | P | 91.4 | Very high | 93.1 | Very high | 79 Ų | 79 | 63.9 Ų | 63.9 | 51% | 0.513 | 36% | 0.355 | S | S | . | . | trans | -58.1 | 137 | -178.8 | -25.7 | 35.1 | 0 | 0 | 0 | 112.5 | F133 | F133-P137 VanDerWaalsContact O-CA 3.32Å; F133-P137 WeakPolarHBondContact O-CA 3.28Å | ||
| 138 | L | 91.5 | Very high | 93.3 | Very high | 18 Ų | 18 | 62.1 Ų | 62.1 | 9% | 0.094 | 34% | 0.344 | C | S | . | . | trans | -58.6 | 139.2 | 168.2 | -66 | 176.4 | 0 | 0 | 0 | 110.2 | F133 E136 A142 K143 F146 V198 | F133-L138 HydrophobicContact CD1-CD1 4.24Å; F133-L138 HydrophobicContact CD1-CD2 3.95Å; F133-L138 HydrophobicContact CD1-CG 3.74Å; F133-L138 HydrophobicContact CD2-CD1 3.97Å; F133-L138 HydrophobicContact CD2-CG 4.26Å; F133-L138 HydrophobicContact CE1-CD1 3.96Å; F133-L138 HydrophobicContact CE1-CD2 3.58Å; F133-L138 HydrophobicContact CE1-CG 3.73Å; F133-L138 HydrophobicContact CE2-CD1 3.66Å; F133-L138 HydrophobicContact CE2-CG 4.24Å; F133-L138 HydrophobicContact CG-CD1 4.26Å; F133-L138 HydrophobicContact CG-CG 4.03Å; F133-L138 HydrophobicContact CZ-CD1 3.66Å; F133-L138 HydrophobicContact CZ-CD2 4.04Å; F133-L138 HydrophobicContact CZ-CG 3.99Å; E136-L138 PolarHBondContact O-N 3.07Å; L138-A142 HydrophobicContact CB-CB 4.4Å; L138-A142 HydrophobicContact CD2-CB 4.09Å; L138-K143 HydrophobicContact CB-CB 4.1Å; L138-F146 HydrophobicContact CD1-CB 3.72Å; L138-F146 HydrophobicContact CD1-CD1 4.15Å; L138-F146 HydrophobicContact CD1-CG 3.99Å; L138-V198 HydrophobicContact CD1-CG2 4.35Å | ||
| 139 | T | 90.5 | Very high | 93.5 | Very high | 106 Ų | 106 | 60.4 Ų | 60.4 | 65% | 0.65 | 33% | 0.33 | S | S | * | . | trans | -123.9 | 160.1 | 178.9 | 55.7 | 0 | 0 | 0 | 0 | 111.5 | A142 | T139-A142 PolarHBondContact O-N 3.41Š| ||
| 140 | G | 91.6 | Very high | 93.8 | Very high | 53 Ų | 53 | 59.1 Ų | 59.1 | 55% | 0.546 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | 57 | -136.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | A142 K143 V144 | G140-A142 VanDerWaalsContact C-N 3.29Å; G140-A142 PolarHBondContact O-N 2.72Å; G140-K143 WeakPolarHBondContact O-CB 3.5Å; G140-K143 PolarHBondContact O-N 3Å; G140-V144 PolarHBondContact O-N 3.09Å |
| 141 | D | 92.3 | Very high | 94 | Very high | 108 Ų | 108 | 58.6 Ų | 58.6 | 58% | 0.578 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -60.9 | -35.3 | -175.7 | -63.6 | -17.3 | 0 | 0 | 0 | 113 | K143 V144 Q145 | D141-K143 VanDerWaalsContact C-N 3.29Å; D141-K143 PolarHBondContact O-N 2.8Å; D141-V144 PolarHBondContact O-N 3.28Å; D141-Q145 WeakPolarHBondContact O-CB 3.31Å; D141-Q145 VanDerWaalsContact O-CG 3.32Å; D141-Q145 WeakPolarHBondContact O-CG 3.49Å; D141-Q145 PolarHBondContact O-N 2.67Å |
| 142 | A | 92.9 | Very high | 94.3 | Very high | 2 Ų | 2 | 58 Ų | 58 | 2% | 0.017 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.1 | -40.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L138 T139 G140 F146 D196 V198 | L138-A142 HydrophobicContact CB-CB 4.4Å; L138-A142 HydrophobicContact CD2-CB 4.09Å; T139-A142 PolarHBondContact O-N 3.41Å; G140-A142 VanDerWaalsContact C-N 3.29Å; G140-A142 PolarHBondContact O-N 2.72Å; A142-F146 WeakPolarHBondContact O-CB 2.96Å; A142-F146 PolarHBondContact O-N 2.82Å; A142-D196 HydrophobicContact CB-CB 3.66Å; A142-V198 HydrophobicContact CB-CG2 4.17Å |
| 143 | K | 94.5 | Very high | 94.6 | Very high | 117 Ų | 117 | 54.4 Ų | 54.4 | 51% | 0.509 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -63.9 | -44.7 | 176.7 | -175.7 | -175 | 172.3 | -172.9 | 0 | 110.7 | L138 G140 D141 F146 Q147 | L138-K143 HydrophobicContact CB-CB 4.1Å; G140-K143 WeakPolarHBondContact O-CB 3.5Å; G140-K143 PolarHBondContact O-N 3Å; D141-K143 VanDerWaalsContact C-N 3.29Å; D141-K143 PolarHBondContact O-N 2.8Å; K143-F146 PolarHBondContact O-N 2.82Å; K143-Q147 WeakPolarHBondContact O-CB 3.28Å; K143-Q147 PolarHBondContact O-N 3.11Å |
| 144 | V | 95.9 | Very high | 94.9 | Very high | 76 Ų | 76 | 54.2 Ų | 54.2 | 46% | 0.461 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -65.1 | -47.6 | 179.8 | 177.5 | 0 | 0 | 0 | 0 | 110.8 | G140 D141 F146 Q147 Q148 | G140-V144 PolarHBondContact O-N 3.09Å; D141-V144 PolarHBondContact O-N 3.28Å; V144-F146 VanDerWaalsContact C-N 3.35Å; V144-F146 PolarHBondContact O-N 3Å; V144-Q147 PolarHBondContact O-N 3.27Å; V144-Q148 WeakPolarHBondContact O-CG 3.27Å; V144-Q148 PolarHBondContact O-N 3.19Å |
| 145 | Q | 95.8 | Very high | 95.3 | Very high | 41 Ų | 41 | 48.9 Ų | 48.9 | 19% | 0.192 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -58.1 | -47.1 | 176.3 | -73.4 | 176.7 | 43.9 | 0 | 0 | 111.3 | D141 Q147 Q148 Q149 D196 V198 | D141-Q145 WeakPolarHBondContact O-CB 3.31Å; D141-Q145 VanDerWaalsContact O-CG 3.32Å; D141-Q145 WeakPolarHBondContact O-CG 3.49Å; D141-Q145 PolarHBondContact O-N 2.67Å; Q145-Q147 VanDerWaalsContact C-N 3.34Å; Q145-Q147 PolarHBondContact O-N 3.36Å; Q145-Q148 PolarHBondContact O-N 3.05Å; Q145-Q149 WeakPolarHBondContact O-CB 3.39Å; Q145-Q149 VanDerWaalsContact O-CG 3.23Å; Q145-Q149 WeakPolarHBondContact O-CG 3.39Å; Q145-Q149 PolarHBondContact O-N 2.82Å; Q145-D196 PolarHBondContact NE2-O 2.85Å; Q145-D196 PolarHBondContact OE1-O 2.94Å; Q145-V198 HydrophobicContact CB-CB 4.47Å; Q145-V198 VanDerWaalsContact OE1-N 3.15Å |
| 146 | F | 96.6 | Very high | 95.7 | Very high | 5 Ų | 5 | 40.9 Ų | 40.9 | 2% | 0.022 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.1 | -43.7 | 178.6 | -178.4 | -120.9 | 0 | 0 | 0 | 112.1 | L130 F133 L138 A142 K143 V144 Q148 Q149 F150 W170 I172 V198 V200 Q229 | L130-F146 HydrophobicContact CD2-CE1 4.24Å; L130-F146 HydrophobicContact CD2-CZ 3.92Å; F133-F146 HydrophobicContact CD2-CE1 4.27Å; F133-F146 HydrophobicContact CE2-CD1 4.46Å; F133-F146 HydrophobicContact CE2-CD2 4.46Å; F133-F146 HydrophobicContact CE2-CE1 4.35Å; F133-F146 HydrophobicContact CE2-CE2 4.37Å; F133-F146 HydrophobicContact CE2-CZ 4.31Å; L138-F146 HydrophobicContact CD1-CB 3.72Å; L138-F146 HydrophobicContact CD1-CD1 4.15Å; L138-F146 HydrophobicContact CD1-CG 3.99Å; A142-F146 WeakPolarHBondContact O-CB 2.96Å; A142-F146 PolarHBondContact O-N 2.82Å; K143-F146 PolarHBondContact O-N 2.82Å; V144-F146 VanDerWaalsContact C-N 3.35Å; V144-F146 PolarHBondContact O-N 3Å; F146-Q148 PolarHBondContact O-N 2.93Å; F146-Q149 PolarHBondContact O-N 3.05Å; F146-F150 VanDerWaalsContact O-CB 3.3Å; F146-F150 WeakPolarHBondContact O-CB 3.49Å; F146-F150 PolarHBondContact O-N 3.02Å; F146-W170 HydrophobicContact CE2-CZ3 4.16Å; F146-W170 HydrophobicContact CZ-CH2 4.18Å; F146-W170 HydrophobicContact CZ-CZ3 4.3Å; F146-I172 HydrophobicContact CE2-CD1 3.5Å; F146-I172 HydrophobicContact CE2-CG1 4.04Å; F146-I172 HydrophobicContact CZ-CD1 3.84Å; F146-V198 HydrophobicContact CB-CB 4.36Å; F146-V198 HydrophobicContact CB-CG1 3.89Å; F146-V198 HydrophobicContact CD2-CG1 3.71Å; F146-V198 HydrophobicContact CG-CG1 4.19Å; F146-V200 HydrophobicContact CD2-CG2 4.47Å; F146-V200 HydrophobicContact CE2-CG2 4.2Å; F146-Q229 HydrophobicContact CD1-CG 4.31Å; F146-Q229 HydrophobicContact CE1-CG 3.85Å |
| 147 | Q | 98 | Very high | 96 | Very high | 29 Ų | 29 | 35.7 Ų | 35.7 | 14% | 0.136 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.9 | -44.2 | 178 | -172.9 | 63.1 | 31.3 | 0 | 0 | 111.6 | K143 V144 Q145 Q149 F150 E151 Q229 | K143-Q147 WeakPolarHBondContact O-CB 3.28Å; K143-Q147 PolarHBondContact O-N 3.11Å; V144-Q147 PolarHBondContact O-N 3.27Å; Q145-Q147 VanDerWaalsContact C-N 3.34Å; Q145-Q147 PolarHBondContact O-N 3.36Å; Q147-Q149 PolarHBondContact O-N 2.73Å; Q147-F150 WeakPolarHBondContact O-CB 3.44Å; Q147-F150 PolarHBondContact O-N 3Å; Q147-E151 PolarHBondContact NE2-OE1 3.48Å; Q147-E151 VanDerWaalsContact O-CG 3.27Å; Q147-E151 WeakPolarHBondContact O-CG 3.19Å; Q147-E151 PolarHBondContact O-N 3.24Å; Q147-Q229 PolarHBondContact NE2-O 3.04Å; Q147-Q229 VanDerWaalsContact OE1-CB 3.31Å |
| 148 | Q | 98.1 | Very high | 96.4 | Very high | 47 Ų | 47 | 32.3 Ų | 32.3 | 22% | 0.22 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.1 | -41.8 | 176.5 | -70.4 | 170.5 | -13.6 | 0 | 0 | 112.2 | V144 Q145 F146 F150 E151 R152 | V144-Q148 WeakPolarHBondContact O-CG 3.27Å; V144-Q148 PolarHBondContact O-N 3.19Å; Q145-Q148 PolarHBondContact O-N 3.05Å; F146-Q148 PolarHBondContact O-N 2.93Å; Q148-F150 VanDerWaalsContact C-N 3.34Å; Q148-E151 PolarHBondContact O-N 3.35Å; Q148-R152 WeakPolarHBondContact O-CG 3.5Å; Q148-R152 PolarHBondContact O-N 2.96Å; Q148-R152 VanDerWaalsContact O-N 3.1Å |
| 149 | Q | 98.2 | Very high | 96.7 | Very high | 29 Ų | 29 | 31.5 Ų | 31.5 | 14% | 0.136 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -65.2 | -39 | 175.8 | -69 | -70.1 | -56.9 | 0 | 0 | 112 | Q145 F146 Q147 R152 L153 V200 | Q145-Q149 WeakPolarHBondContact O-CB 3.39Å; Q145-Q149 VanDerWaalsContact O-CG 3.23Å; Q145-Q149 WeakPolarHBondContact O-CG 3.39Å; Q145-Q149 PolarHBondContact O-N 2.82Å; F146-Q149 PolarHBondContact O-N 3.05Å; Q147-Q149 PolarHBondContact O-N 2.73Å; Q149-R152 PolarHBondContact O-N 3.47Å; Q149-L153 PolarHBondContact O-N 3.42Å; Q149-L153 VanDerWaalsContact O-N 3.17Å; Q149-V200 HydrophobicContact CB-CB 3.99Å; Q149-V200 HydrophobicContact CB-CG2 3.7Å |
| 150 | F | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -63.3 | -44 | 173.8 | 177.2 | -98.7 | 0 | 0 | 0 | 112 | F146 Q147 Q148 R152 L153 V154 W170 W224 L227 Q229 A230 P298 | F146-F150 VanDerWaalsContact O-CB 3.3Å; F146-F150 WeakPolarHBondContact O-CB 3.49Å; F146-F150 PolarHBondContact O-N 3.02Å; Q147-F150 WeakPolarHBondContact O-CB 3.44Å; Q147-F150 PolarHBondContact O-N 3Å; Q148-F150 VanDerWaalsContact C-N 3.34Å; F150-R152 VanDerWaalsContact C-N 3.29Å; F150-R152 PolarHBondContact O-N 3.31Å; F150-L153 WeakPolarHBondContact O-CB 3.32Å; F150-L153 PolarHBondContact O-N 3.42Å; F150-L153 VanDerWaalsContact O-N 3.1Å; F150-V154 HydrophobicContact CD1-CG2 4.13Å; F150-V154 HydrophobicContact CE1-CG2 3.69Å; F150-V154 HydrophobicContact CZ-CG2 3.91Å; F150-V154 WeakPolarHBondContact O-CG2 3.35Å; F150-V154 PolarHBondContact O-N 2.94Å; F150-W170 HydrophobicContact CD2-CH2 4.3Å; F150-W224 HydrophobicContact CE2-CB 3.69Å; F150-W224 HydrophobicContact CE2-CG 4.37Å; F150-W224 HydrophobicContact CZ-CB 3.94Å; F150-W224 HydrophobicContact CZ-CD2 4.49Å; F150-W224 HydrophobicContact CZ-CE3 4.17Å; F150-W224 HydrophobicContact CZ-CG 4.44Å; F150-L227 HydrophobicContact CE2-CD1 3.92Å; F150-Q229 HydrophobicContact CD1-CB 3.68Å; F150-Q229 HydrophobicContact CD2-CB 4.39Å; F150-Q229 HydrophobicContact CE1-CB 3.7Å; F150-Q229 HydrophobicContact CE2-CB 4.4Å; F150-Q229 HydrophobicContact CG-CB 4.04Å; F150-Q229 HydrophobicContact CZ-CB 4.07Å; F150-A230 HydrophobicContact CE1-CB 4.28Å; F150-A230 HydrophobicContact CZ-CB 4.18Å; F150-P298 HydrophobicContact CE1-CG 4.29Å |
| 151 | E | 98.8 | Very high | 97.4 | Very high | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.005 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -60.7 | -38.3 | 176.6 | -73.7 | 171.1 | -173.6 | 0 | 0 | 112.1 | Q147 Q148 L153 V154 I155 F234 S235 T238 | Q147-E151 PolarHBondContact NE2-OE1 3.48Å; Q147-E151 VanDerWaalsContact O-CG 3.27Å; Q147-E151 WeakPolarHBondContact O-CG 3.19Å; Q147-E151 PolarHBondContact O-N 3.24Å; Q148-E151 PolarHBondContact O-N 3.35Å; E151-L153 PolarHBondContact O-N 3.45Å; E151-V154 WeakPolarHBondContact O-CB 3.29Å; E151-V154 PolarHBondContact O-N 3.04Å; E151-I155 WeakPolarHBondContact O-CG1 3.4Å; E151-I155 PolarHBondContact O-N 3.08Å; E151-F234 HydrophobicContact CB-CD1 4.03Å; E151-F234 HydrophobicContact CB-CE1 4.24Å; E151-F234 HydrophobicContact CG-CD1 3.81Å; E151-F234 HydrophobicContact CG-CE1 4.25Å; E151-S235 PolarHBondContact OE1-N 3.47Å; E151-S235 VanDerWaalsContact OE1-N 3.14Å; E151-S235 VanDerWaalsContact OE2-CB 3.23Å; E151-S235 WeakPolarHBondContact OE2-CB 3.23Å; E151-S235 PolarHBondContact OE2-N 3.22Å; E151-S235 PolarHBondContact OE2-OG 2.87Å; E151-T238 HydrophobicContact CB-CG2 4.08Å; E151-T238 VanDerWaalsContact OE2-CB 3.23Å; E151-T238 WeakPolarHBondContact OE2-CB 3.45Å; E151-T238 PolarHBondContact OE2-OG1 3.17Å |
| 152 | R | 98.8 | Very high | 97.6 | Very high | 39 Ų | 39 | 20 Ų | 20 | 15% | 0.147 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -63.4 | -39.7 | 173.1 | -66.7 | 170.4 | -174.2 | -163.6 | 6.2 | 112.3 | L61 I63 Q148 Q149 F150 I155 L156 E237 | L61-R152 HydrophobicContact CB-CB 4.38Å; L61-R152 HydrophobicContact CD2-CB 4.29Å; L61-R152 HydrophobicContact CD2-CG 4.19Å; L61-R152 WeakPolarHBondContact O-CD 3.35Å; L61-R152 PolarHBondContact O-NH1 3.35Å; I63-R152 VanDerWaalsContact CD1-C 3.47Å; I63-R152 HydrophobicContact CD1-CB 4.16Å; I63-R152 WeakPolarHBondContact CD1-O 3.23Å; I63-R152 HydrophobicContact CG2-CB 4.05Å; Q148-R152 WeakPolarHBondContact O-CG 3.5Å; Q148-R152 PolarHBondContact O-N 2.96Å; Q148-R152 VanDerWaalsContact O-N 3.1Å; Q149-R152 PolarHBondContact O-N 3.47Å; F150-R152 VanDerWaalsContact C-N 3.29Å; F150-R152 PolarHBondContact O-N 3.31Å; R152-I155 PolarHBondContact O-N 2.86Å; R152-L156 PolarHBondContact O-N 2.84Å; R152-E237 IonicContact CZ-OE1 3.26Å; R152-E237 IonicContact NE-OE1 3.6Å; R152-E237 IonicContact NH2-OE1 2.95Å; R152-E237 PolarHBondContact NH2-OE1 3.08Å |
| 153 | L | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -61.6 | -45.8 | 174.2 | 175.9 | 69.9 | 0 | 0 | 0 | 111.2 | I63 Q149 F150 E151 I155 L156 D157 W170 V200 A202 | I63-L153 HydrophobicContact CD1-CB 4.08Å; I63-L153 HydrophobicContact CD1-CD1 4.42Å; Q149-L153 PolarHBondContact O-N 3.42Å; Q149-L153 VanDerWaalsContact O-N 3.17Å; F150-L153 WeakPolarHBondContact O-CB 3.32Å; F150-L153 PolarHBondContact O-N 3.42Å; F150-L153 VanDerWaalsContact O-N 3.1Å; E151-L153 PolarHBondContact O-N 3.45Å; L153-I155 VanDerWaalsContact C-N 3.34Å; L153-I155 PolarHBondContact O-N 3.08Å; L153-L156 PolarHBondContact O-N 2.7Å; L153-D157 WeakPolarHBondContact O-CB 3.34Å; L153-D157 PolarHBondContact O-N 3.04Å; L153-W170 HydrophobicContact CD1-CB 4.31Å; L153-W170 HydrophobicContact CD2-CB 4.18Å; L153-W170 HydrophobicContact CD2-CD2 3.47Å; L153-W170 VanDerWaalsContact CD2-CD2 3.47Å; L153-W170 HydrophobicContact CD2-CE3 3.7Å; L153-W170 HydrophobicContact CD2-CG 3.7Å; L153-W170 HydrophobicContact CD2-CZ2 4.45Å; L153-W170 HydrophobicContact CD2-CZ3 4.25Å; L153-V200 HydrophobicContact CB-CG1 4.43Å; L153-V200 HydrophobicContact CD2-CG1 4.48Å; L153-A202 HydrophobicContact CD1-CB 3.76Å |
| 154 | V | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -56.8 | -48.6 | 176.1 | 167.9 | 0 | 0 | 0 | 0 | 110.8 | F150 E151 D157 Y158 W224 F234 P298 L301 | F150-V154 HydrophobicContact CD1-CG2 4.13Å; F150-V154 HydrophobicContact CE1-CG2 3.69Å; F150-V154 HydrophobicContact CZ-CG2 3.91Å; F150-V154 WeakPolarHBondContact O-CG2 3.35Å; F150-V154 PolarHBondContact O-N 2.94Å; E151-V154 WeakPolarHBondContact O-CB 3.29Å; E151-V154 PolarHBondContact O-N 3.04Å; V154-D157 PolarHBondContact O-N 3.32Å; V154-Y158 VanDerWaalsContact O-CB 3.25Å; V154-Y158 WeakPolarHBondContact O-CB 3.47Å; V154-Y158 PolarHBondContact O-N 3.33Å; V154-W224 HydrophobicContact CB-CH2 4.17Å; V154-W224 HydrophobicContact CB-CZ2 4.21Å; V154-W224 HydrophobicContact CB-CZ3 4.43Å; V154-W224 HydrophobicContact CG1-CH2 3.61Å; V154-W224 HydrophobicContact CG1-CZ2 4.03Å; V154-W224 HydrophobicContact CG1-CZ3 4.02Å; V154-W224 HydrophobicContact CG2-CD2 3.92Å; V154-W224 HydrophobicContact CG2-CE3 3.7Å; V154-W224 HydrophobicContact CG2-CH2 3.95Å; V154-W224 HydrophobicContact CG2-CZ2 4.08Å; V154-W224 HydrophobicContact CG2-CZ3 3.74Å; V154-F234 HydrophobicContact CB-CE1 4.39Å; V154-F234 HydrophobicContact CG1-CE1 3.94Å; V154-F234 HydrophobicContact CG1-CZ 3.65Å; V154-P298 HydrophobicContact CG1-CB 3.84Å; V154-P298 HydrophobicContact CG1-CG 4.11Å; V154-P298 HydrophobicContact CG2-CB 3.95Å; V154-P298 HydrophobicContact CG2-CG 4.04Å; V154-L301 HydrophobicContact CG1-CD2 4.33Å |
| 155 | I | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -61.4 | -48.4 | -178.5 | -74 | 174.9 | 0 | 0 | 0 | 111.2 | L61 E151 R152 L153 Y158 I159 F234 T238 V242 L288 | L61-I155 HydrophobicContact CD1-CG2 4.12Å; L61-I155 HydrophobicContact CD2-CG2 4.18Å; E151-I155 WeakPolarHBondContact O-CG1 3.4Å; E151-I155 PolarHBondContact O-N 3.08Å; R152-I155 PolarHBondContact O-N 2.86Å; L153-I155 VanDerWaalsContact C-N 3.34Å; L153-I155 PolarHBondContact O-N 3.08Å; I155-Y158 PolarHBondContact O-N 3.17Å; I155-I159 HydrophobicContact CG2-CD1 3.84Å; I155-I159 WeakPolarHBondContact O-CB 3.33Å; I155-I159 VanDerWaalsContact O-CG1 3.31Å; I155-I159 WeakPolarHBondContact O-CG1 3.17Å; I155-I159 PolarHBondContact O-N 3.32Å; I155-F234 HydrophobicContact CD1-CE1 4.39Å; I155-F234 HydrophobicContact CG1-CE1 4.15Å; I155-T238 HydrophobicContact CD1-CG2 3.28Å; I155-V242 HydrophobicContact CD1-CB 4.1Å; I155-V242 HydrophobicContact CD1-CG1 4.2Å; I155-V242 HydrophobicContact CD1-CG2 3.68Å; I155-V242 HydrophobicContact CG2-CG1 4.07Å; I155-V242 HydrophobicContact CG2-CG2 4.34Å; I155-L288 HydrophobicContact CB-CD2 4.5Å; I155-L288 HydrophobicContact CG1-CD1 4.19Å; I155-L288 HydrophobicContact CG1-CD2 4.29Å; I155-L288 HydrophobicContact CG2-CD2 3.99Å |
| 156 | L | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -56.4 | -56.6 | 176.5 | 176.1 | 69.9 | 0 | 0 | 0 | 110.7 | V55 D56 L61 I63 V64 R152 L153 Y158 I159 I160 A202 | V55-L156 HydrophobicContact CB-CD1 4.34Å; V55-L156 HydrophobicContact CG1-CD1 4.08Å; D56-L156 HydrophobicContact CB-CD1 4.35Å; L61-L156 HydrophobicContact CD1-CB 3.83Å; L61-L156 HydrophobicContact CD1-CD1 4.45Å; I63-L156 HydrophobicContact CD1-CB 4.12Å; I63-L156 HydrophobicContact CD1-CD2 3.95Å; I63-L156 HydrophobicContact CG1-CD2 4.26Å; V64-L156 HydrophobicContact CG2-CD1 4.32Å; V64-L156 HydrophobicContact CG2-CD2 3.28Å; V64-L156 HydrophobicContact CG2-CG 4.43Å; R152-L156 PolarHBondContact O-N 2.84Å; L153-L156 PolarHBondContact O-N 2.7Å; L156-Y158 VanDerWaalsContact C-N 3.29Å; L156-Y158 PolarHBondContact O-N 3.27Å; L156-I159 PolarHBondContact O-N 2.66Å; L156-I160 HydrophobicContact CD1-CD1 4.45Å; L156-I160 HydrophobicContact CD1-CG2 4.22Å; L156-I160 HydrophobicContact CG-CD1 4.25Å; L156-I160 VanDerWaalsContact O-CG1 3.32Å; L156-I160 WeakPolarHBondContact O-CG1 3.5Å; L156-I160 PolarHBondContact O-N 3.17Å; L156-A202 HydrophobicContact CD2-CB 3.78Å |
| 157 | D | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -61.5 | -36.9 | -175.2 | -84.2 | -17.3 | 0 | 0 | 0 | 112.8 | L153 V154 R161 N162 R165 F222 W224 | L153-D157 WeakPolarHBondContact O-CB 3.34Å; L153-D157 PolarHBondContact O-N 3.04Å; V154-D157 PolarHBondContact O-N 3.32Å; D157-R161 CarbonylContact O-C 3.52Å; D157-R161 WeakPolarHBondContact O-CA 3.39Å; D157-R161 PolarHBondContact O-N 3.02Å; D157-N162 HydrophobicContact CB-CB 4.12Å; D157-N162 PolarHBondContact O-N 3.07Å; D157-N162 WeakPolarHBondContact OD1-CB 3.34Å; D157-N162 PolarHBondContact OD1-ND2 2.95Å; D157-R165 IonicContact OD1-CZ 3.1Å; D157-R165 VanDerWaalsContact OD1-CZ 3.28Å; D157-R165 IonicContact OD1-NE 2.76Å; D157-R165 PolarHBondContact OD1-NE 3.29Å; D157-R165 IonicContact OD1-NH2 3.04Å; D157-R165 PolarHBondContact OD1-NH2 3.42Å; D157-R165 WeakPolarHBondContact OD2-CB 3.43Å; D157-R165 WeakPolarHBondContact OD2-CG 3.09Å; D157-R165 IonicContact OD2-CZ 2.92Å; D157-R165 IonicContact OD2-NE 3.74Å; D157-R165 PolarHBondContact OD2-NE 2.9Å; D157-R165 IonicContact OD2-NH2 2.65Å; D157-F222 HydrophobicContact CB-CD1 4.13Å; D157-F222 HydrophobicContact CB-CE1 3.98Å; D157-F222 WeakPolarHBondContact O-CE1 3.47Å; D157-W224 HydrophobicContact CB-CZ2 4.32Å; D157-W224 PolarHBondContact OD2-NE1 3Å |
| 158 | Y | 98.7 | Very high | 96.8 | Very high | 7 Ų | 7 | 14.9 Ų | 14.9 | 3% | 0.027 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -69.1 | -48.5 | 178.9 | -164 | -97 | 0 | 0 | 0 | 111.3 | V154 I155 L156 I160 R161 F222 Q284 N287 L288 L301 V302 | V154-Y158 VanDerWaalsContact O-CB 3.25Å; V154-Y158 WeakPolarHBondContact O-CB 3.47Å; V154-Y158 PolarHBondContact O-N 3.33Å; I155-Y158 PolarHBondContact O-N 3.17Å; L156-Y158 VanDerWaalsContact C-N 3.29Å; L156-Y158 PolarHBondContact O-N 3.27Å; Y158-I160 PolarHBondContact O-N 3.05Å; Y158-R161 PolarHBondContact O-N 3.4Å; Y158-R161 VanDerWaalsContact O-N 3.1Å; Y158-F222 AromaticContact CD2-CE2 3.95Å; Y158-F222 HydrophobicContact CD2-CE2 3.95Å; Y158-F222 HydrophobicContact CD2-CZ 4.2Å; Y158-F222 HydrophobicContact CE2-CE2 4.44Å; Y158-Q284 HydrophobicContact CD1-CB 4.04Å; Y158-Q284 HydrophobicContact CE1-CB 4.05Å; Y158-Q284 VanDerWaalsContact CE1-O 3.23Å; Y158-Q284 WeakPolarHBondContact CE1-O 3.39Å; Y158-Q284 WeakPolarHBondContact O-CB 3.27Å; Y158-Q284 VanDerWaalsContact O-CG 3.27Å; Y158-Q284 WeakPolarHBondContact O-CG 3.35Å; Y158-Q284 PolarHBondContact OH-OE1 3.45Å; Y158-N287 HydrophobicContact CE1-CB 3.96Å; Y158-N287 VanDerWaalsContact OH-CB 3.27Å; Y158-N287 WeakPolarHBondContact OH-CB 3.38Å; Y158-N287 PolarHBondContact OH-ND2 3.08Å; Y158-L288 HydrophobicContact CD1-CB 4.01Å; Y158-L288 HydrophobicContact CE1-CB 4.19Å; Y158-L301 HydrophobicContact CD1-CD1 4.15Å; Y158-L301 HydrophobicContact CD1-CD2 4.02Å; Y158-L301 HydrophobicContact CD1-CG 4.3Å; Y158-L301 HydrophobicContact CD2-CD1 4.44Å; Y158-L301 HydrophobicContact CD2-CD2 3.84Å; Y158-L301 HydrophobicContact CD2-CG 3.87Å; Y158-L301 HydrophobicContact CE1-CD1 3.55Å; Y158-L301 HydrophobicContact CE1-CD2 4.25Å; Y158-L301 HydrophobicContact CE1-CG 4.03Å; Y158-L301 HydrophobicContact CE2-CD1 3.9Å; Y158-L301 HydrophobicContact CE2-CD2 4.1Å; Y158-L301 HydrophobicContact CE2-CG 3.59Å; Y158-L301 HydrophobicContact CG-CD2 3.8Å; Y158-L301 HydrophobicContact CG-CG 4.21Å; Y158-L301 VanDerWaalsContact CZ-CD1 3.4Å; Y158-L301 PolarHBondContact OH-O 2.82Å; Y158-V302 HydrophobicContact CD2-CG1 4.45Å; Y158-V302 HydrophobicContact CE2-CG1 4.47Å |
| 159 | I | 98.6 | Very high | 96.5 | Very high | 1 Ų | 1 | 13.6 Ų | 13.6 | 1% | 0.005 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -59.6 | -49.7 | 179.4 | -70.4 | 173.9 | 0 | 0 | 0 | 110.8 | V55 L59 I155 L156 R161 I246 M281 I285 L288 | V55-I159 HydrophobicContact CG1-CG2 4.04Å; L59-I159 HydrophobicContact CD1-CD1 3.4Å; I155-I159 HydrophobicContact CG2-CD1 3.84Å; I155-I159 WeakPolarHBondContact O-CB 3.33Å; I155-I159 VanDerWaalsContact O-CG1 3.31Å; I155-I159 WeakPolarHBondContact O-CG1 3.17Å; I155-I159 PolarHBondContact O-N 3.32Å; L156-I159 PolarHBondContact O-N 2.66Å; I159-R161 PolarHBondContact O-N 2.91Å; I159-I246 HydrophobicContact CD1-CG2 4.43Å; I159-M281 HydrophobicContact CG2-CG 4Å; I159-M281 HydrophobicContact CG2-SD 4.36Å; I159-M281 WeakPolarHBondContact O-CG 3.39Å; I159-I285 HydrophobicContact CG1-CG1 4.13Å; I159-I285 HydrophobicContact CG2-CD1 4.3Å; I159-I285 HydrophobicContact CG2-CG1 4.14Å; I159-L288 HydrophobicContact CD1-CD2 3.78Å; I159-L288 HydrophobicContact CG1-CD2 3.72Å |
| 160 | I | 98.5 | Very high | 96.5 | Very high | 2 Ų | 2 | 12.2 Ų | 12.2 | 1% | 0.01 | 6% | 0.064 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -5.6 | -179.5 | 74.7 | -178.7 | 0 | 0 | 0 | 112.7 | A52 V55 L156 Y158 N162 A208 F209 | A52-I160 HydrophobicContact CB-CD1 4.02Å; V55-I160 HydrophobicContact CB-CG2 4.24Å; V55-I160 HydrophobicContact CG1-CG2 4.15Å; V55-I160 HydrophobicContact CG2-CG2 4.08Å; L156-I160 HydrophobicContact CD1-CD1 4.45Å; L156-I160 HydrophobicContact CD1-CG2 4.22Å; L156-I160 HydrophobicContact CG-CD1 4.25Å; L156-I160 VanDerWaalsContact O-CG1 3.32Å; L156-I160 WeakPolarHBondContact O-CG1 3.5Å; L156-I160 PolarHBondContact O-N 3.17Å; Y158-I160 PolarHBondContact O-N 3.05Å; I160-N162 HydrophobicContact CD1-CB 4.27Å; I160-N162 HydrophobicContact CG1-CB 4.11Å; I160-N162 PolarHBondContact O-N 2.63Å; I160-A208 HydrophobicContact CB-CB 4.02Å; I160-A208 HydrophobicContact CD1-CB 3.63Å; I160-A208 HydrophobicContact CG1-CB 3.64Å; I160-F209 HydrophobicContact CB-CD2 4.42Å; I160-F209 HydrophobicContact CB-CE1 4.07Å; I160-F209 HydrophobicContact CB-CE2 3.94Å; I160-F209 HydrophobicContact CB-CZ 3.76Å; I160-F209 HydrophobicContact CG2-CE1 3.89Å; I160-F209 HydrophobicContact CG2-CE2 3.98Å; I160-F209 HydrophobicContact CG2-CZ 3.41Å; I160-F209 VanDerWaalsContact CG2-CZ 3.41Å; I160-F209 WeakPolarHBondContact O-CA 3.49Å; I160-F209 PolarHBondContact O-N 3.47Å |
| 161 | R | 97.7 | Very high | 96.5 | Very high | 22 Ų | 22 | 13.1 Ų | 13.1 | 8% | 0.083 | 7% | 0.069 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 42.5 | 64 | -168.2 | -174.5 | 46.4 | 178.9 | 116.6 | -2.7 | 112 | D157 Y158 I159 T163 P210 A219 Y220 F222 Q284 | D157-R161 CarbonylContact O-C 3.52Å; D157-R161 WeakPolarHBondContact O-CA 3.39Å; D157-R161 PolarHBondContact O-N 3.02Å; Y158-R161 PolarHBondContact O-N 3.4Å; Y158-R161 VanDerWaalsContact O-N 3.1Å; I159-R161 PolarHBondContact O-N 2.91Å; R161-T163 WeakPolarHBondContact O-CG2 3.14Å; R161-T163 PolarHBondContact O-N 2.89Å; R161-P210 HydrophobicContact CB-CG 3.88Å; R161-P210 HydrophobicContact CG-CG 3.69Å; R161-P210 WeakPolarHBondContact O-CD 3.39Å; R161-A219 PolarHBondContact NH2-O 2.92Å; R161-Y220 PolarHBondContact NH1-O 2.85Å; R161-Y220 PolarHBondContact NH2-O 2.66Å; R161-Y220 VanDerWaalsContact NH2-O 3.07Å; R161-F222 VanDerWaalsContact CD-CZ 3.45Å; R161-Q284 HydrophobicContact CB-CG 4.25Å |
| 162 | N | 96.8 | Very high | 96.4 | Very high | 1 Ų | 1 | 13.1 Ų | 13.1 | 1% | 0.005 | 7% | 0.068 | C | C | . | . | trans | -59.5 | 134.1 | 176 | -165.7 | -19.7 | 0 | 0 | 0 | 110.3 | D157 I160 D164 R165 A208 F222 | D157-N162 HydrophobicContact CB-CB 4.12Å; D157-N162 PolarHBondContact O-N 3.07Å; D157-N162 WeakPolarHBondContact OD1-CB 3.34Å; D157-N162 PolarHBondContact OD1-ND2 2.95Å; I160-N162 HydrophobicContact CD1-CB 4.27Å; I160-N162 HydrophobicContact CG1-CB 4.11Å; I160-N162 PolarHBondContact O-N 2.63Å; N162-D164 PolarHBondContact OD1-N 3.5Å; N162-R165 VanDerWaalsContact ND2-CZ 3.26Å; N162-R165 PolarHBondContact ND2-NH2 3.05Å; N162-A208 HydrophobicContact CB-CB 4.41Å; N162-F222 HydrophobicContact CB-CE1 4.47Å; N162-F222 VanDerWaalsContact O-CE1 3.32Å; N162-F222 WeakPolarHBondContact O-CE1 3.34Å | ||
| 163 | T | 94.5 | Very high | 96.3 | Very high | 4 Ų | 4 | 15.2 Ų | 15.2 | 3% | 0.025 | 8% | 0.076 | C | C | . | . | S | Bend | trans | -108.9 | 4.6 | -177 | 70 | 0 | 0 | 0 | 0 | 113.2 | R37 L40 R161 L207 Y220 | R37-T163 WeakPolarHBondContact CD-OG1 3.49Å; R37-T163 PolarHBondContact NE-O 3.29Å; R37-T163 PolarHBondContact NE-OG1 3.12Å; R37-T163 VanDerWaalsContact NE-OG1 3.12Å; R37-T163 PolarHBondContact NH2-O 3.2Å; L40-T163 HydrophobicContact CD2-CG2 4.31Å; R161-T163 WeakPolarHBondContact O-CG2 3.14Å; R161-T163 PolarHBondContact O-N 2.89Å; T163-L207 WeakPolarHBondContact CB-O 3.45Å; T163-L207 PolarHBondContact N-O 3.18Å; T163-L207 PolarHBondContact OG1-O 3.01Å; T163-Y220 HydrophobicContact CG2-CD2 4.35Å |
| 164 | D | 93.9 | Very high | 95.9 | Very high | 48 Ų | 48 | 15.8 Ų | 15.8 | 26% | 0.257 | 8% | 0.08 | S | C | . | . | trans | -144.9 | 32.4 | -176.8 | -147.5 | 15.5 | 0 | 0 | 0 | 114 | R37 N162 G166 N169 L207 | R37-D164 VanDerWaalsContact CZ-CG 3.45Å; R37-D164 IonicContact CZ-OD1 2.63Å; R37-D164 IonicContact CZ-OD2 3.88Å; R37-D164 IonicContact NH1-OD1 2.66Å; R37-D164 IonicContact NH1-OD2 2.7Å; R37-D164 PolarHBondContact NH1-OD2 3Å; R37-D164 VanDerWaalsContact NH2-CB 3.33Å; R37-D164 IonicContact NH2-OD1 2.85Å; R37-D164 PolarHBondContact NH2-OD1 3.1Å; R37-D164 IonicContact NH2-OD2 2.72Å; R37-D164 PolarHBondContact NH2-OD2 2.81Å; N162-D164 PolarHBondContact OD1-N 3.5Å; D164-G166 PolarHBondContact O-N 3.35Å; D164-G166 VanDerWaalsContact O-N 3.1Å; D164-N169 PolarHBondContact O-ND2 3.09Å; D164-L207 HydrophobicContact CB-CB 3.93Å; D164-L207 HydrophobicContact CB-CD1 3.73Å; D164-L207 HydrophobicContact CB-CG 4.49Å; D164-L207 WeakPolarHBondContact OD2-CD1 3.14Å | ||
| 165 | R | 95.2 | Very high | 95.3 | Very high | 1 Ų | 1 | 18.9 Ų | 18.9 | 0% | 0.004 | 10% | 0.097 | C | C | . | . | trans | -82.1 | 86.7 | 173.9 | -172.8 | 73.9 | 63.8 | -153.5 | -0.6 | 111.3 | D157 N162 N169 I203 N205 H223 | D157-R165 IonicContact OD1-CZ 3.1Å; D157-R165 VanDerWaalsContact OD1-CZ 3.28Å; D157-R165 IonicContact OD1-NE 2.76Å; D157-R165 PolarHBondContact OD1-NE 3.29Å; D157-R165 IonicContact OD1-NH2 3.04Å; D157-R165 PolarHBondContact OD1-NH2 3.42Å; D157-R165 WeakPolarHBondContact OD2-CB 3.43Å; D157-R165 WeakPolarHBondContact OD2-CG 3.09Å; D157-R165 IonicContact OD2-CZ 2.92Å; D157-R165 IonicContact OD2-NE 3.74Å; D157-R165 PolarHBondContact OD2-NE 2.9Å; D157-R165 IonicContact OD2-NH2 2.65Å; N162-R165 VanDerWaalsContact ND2-CZ 3.26Å; N162-R165 PolarHBondContact ND2-NH2 3.05Å; R165-N169 PolarHBondContact NH1-O 3.19Å; R165-I203 PolarHBondContact NH1-O 3.2Å; R165-N205 PolarHBondContact NH2-OD1 2.67Å; R165-H223 VanDerWaalsContact O-CB 3.25Å; R165-H223 WeakPolarHBondContact O-CB 3.24Å; R165-H223 PolarHBondContact O-CD2 3.36Å; R165-H223 VanDerWaalsContact O-CD2 3.26Å; R165-H223 PolarHBondContact O-N 3.48Å | ||
| 166 | G | 91.8 | Very high | 94.3 | Very high | 9 Ų | 9 | 22.9 Ų | 22.9 | 9% | 0.093 | 11% | 0.112 | C | C | . | . | trans | -81.9 | 168.1 | 161.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | D164 D168 N169 | D164-G166 PolarHBondContact O-N 3.35Å; D164-G166 VanDerWaalsContact O-N 3.1Å; G166-D168 WeakPolarHBondContact CA-OD1 3.32Å; G166-D168 PolarHBondContact O-N 3.45Å; G166-N169 PolarHBondContact O-N 3.35Å | ||
| 167 | S | 89.6 | Confident | 92.6 | Very high | 17 Ų | 17 | 25.9 Ų | 25.9 | 12% | 0.119 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -2.5 | 178.1 | -62.6 | 0 | 0 | 0 | 0 | 114.9 | A126 N127 | A126-S167 WeakPolarHBondContact CB-O 3.21Å; A126-S167 PolarHBondContact N-O 3.32Å; N127-S167 PolarHBondContact N-O 2.84Å; N127-S167 VanDerWaalsContact N-O 3.12Å; N127-S167 WeakPolarHBondContact ND2-CB 3.31Å; N127-S167 WeakPolarHBondContact OD1-CB 3.46Å |
| 168 | D | 90.9 | Very high | 90.5 | Very high | 84 Ų | 84 | 32.1 Ų | 32.1 | 45% | 0.449 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -19.3 | 167.3 | 54.9 | -33.2 | 0 | 0 | 0 | 112.5 | G166 | G166-D168 WeakPolarHBondContact CA-OD1 3.32Å; G166-D168 PolarHBondContact O-N 3.45Å |
| 169 | N | 93.4 | Very high | 88.2 | Confident | 20 Ų | 20 | 40.5 Ų | 40.5 | 11% | 0.107 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -96 | 14.1 | -176.8 | -68.5 | -19.4 | 0 | 0 | 0 | 113.6 | D164 R165 G166 I203 D204 | D164-N169 PolarHBondContact O-ND2 3.09Å; R165-N169 PolarHBondContact NH1-O 3.19Å; G166-N169 PolarHBondContact O-N 3.35Å; N169-I203 WeakPolarHBondContact O-CG1 3.38Å; N169-D204 HydrophobicContact CB-CB 4.48Å |
| 170 | W | 97.8 | Very high | 85.4 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 149 | 166.3 | 57.9 | -71.6 | 0 | 0 | 0 | 108.9 | A126 L130 F146 F150 L153 I172 V200 A201 L227 | A126-W170 HydrophobicContact CB-CD2 3.34Å; A126-W170 HydrophobicContact CB-CE3 3.45Å; A126-W170 VanDerWaalsContact CB-CE3 3.45Å; A126-W170 HydrophobicContact CB-CG 4.06Å; A126-W170 HydrophobicContact CB-CH2 3.6Å; A126-W170 HydrophobicContact CB-CZ2 3.47Å; A126-W170 VanDerWaalsContact CB-CZ2 3.47Å; A126-W170 HydrophobicContact CB-CZ3 3.59Å; A126-W170 VanDerWaalsContact CB-O 3.27Å; A126-W170 WeakPolarHBondContact CB-O 3.4Å; A126-W170 PolarHBondContact N-O 3.06Å; L130-W170 HydrophobicContact CD1-CH2 4.02Å; L130-W170 HydrophobicContact CD1-CZ2 3.82Å; L130-W170 HydrophobicContact CD2-CH2 4.38Å; L130-W170 HydrophobicContact CG-CH2 4.44Å; F146-W170 HydrophobicContact CE2-CZ3 4.16Å; F146-W170 HydrophobicContact CZ-CH2 4.18Å; F146-W170 HydrophobicContact CZ-CZ3 4.3Å; F150-W170 HydrophobicContact CD2-CH2 4.3Å; L153-W170 HydrophobicContact CD1-CB 4.31Å; L153-W170 HydrophobicContact CD2-CB 4.18Å; L153-W170 HydrophobicContact CD2-CD2 3.47Å; L153-W170 VanDerWaalsContact CD2-CD2 3.47Å; L153-W170 HydrophobicContact CD2-CE3 3.7Å; L153-W170 HydrophobicContact CD2-CG 3.7Å; L153-W170 HydrophobicContact CD2-CZ2 4.45Å; L153-W170 HydrophobicContact CD2-CZ3 4.25Å; W170-I172 HydrophobicContact CE3-CD1 4.37Å; W170-I172 HydrophobicContact CE3-CG1 4.05Å; W170-I172 HydrophobicContact CH2-CD1 4.01Å; W170-I172 HydrophobicContact CZ3-CD1 3.6Å; W170-I172 HydrophobicContact CZ3-CG1 3.69Å; W170-V200 HydrophobicContact CE3-CG1 3.82Å; W170-V200 HydrophobicContact CE3-CG2 4.2Å; W170-V200 HydrophobicContact CZ3-CG1 4.46Å; W170-V200 HydrophobicContact CZ3-CG2 4.06Å; W170-A201 CarbonylContact C-O 3.53Å; W170-A201 WeakPolarHBondContact CA-O 3.08Å; W170-L227 HydrophobicContact CH2-CD1 4.29Å; W170-L227 HydrophobicContact CZ2-CD1 3.83Å |
| 171 | L | 97.8 | Very high | 82.6 | Confident | 20 Ų | 20 | 50.6 Ų | 50.6 | 11% | 0.105 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 152 | -171.3 | -44.6 | 175.9 | 0 | 0 | 0 | 110.6 | V120 Y123 K124 V200 A201 I203 | V120-L171 HydrophobicContact CG2-CD1 4.18Å; Y123-L171 HydrophobicContact CD1-CB 3.84Å; Y123-L171 HydrophobicContact CG-CB 4.2Å; K124-L171 CarbonylContact O-C 3.14Å; K124-L171 VanDerWaalsContact O-CA 3.26Å; K124-L171 WeakPolarHBondContact O-CA 3.49Å; K124-L171 WeakPolarHBondContact O-CB 3.29Å; L171-V200 CarbonylContact O-C 3.59Å; L171-V200 VanDerWaalsContact O-CA 3.29Å; L171-V200 WeakPolarHBondContact O-CA 3.46Å; L171-A201 HydrophobicContact CB-CB 4.3Å; L171-A201 PolarHBondContact N-O 3.07Å; L171-A201 PolarHBondContact O-N 2.79Å; L171-I203 HydrophobicContact CD1-CD1 4.02Å; L171-I203 HydrophobicContact CD1-CG2 4.15Å; L171-I203 HydrophobicContact CD2-CD1 3.77Å; L171-I203 HydrophobicContact CD2-CG1 4.49Å; L171-I203 HydrophobicContact CG-CD1 3.83Å; L171-I203 HydrophobicContact CG-CG1 4.19Å; L171-I203 HydrophobicContact CG-CG2 4.4Å |
| 172 | I | 97.1 | Very high | 79.8 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 135.6 | 173.3 | -61.2 | 168.7 | 0 | 0 | 0 | 108.5 | K124 A126 W129 L130 F133 F146 W170 V198 S199 V200 | K124-I172 PolarHBondContact N-O 3.04Å; K124-I172 PolarHBondContact O-N 3.12Å; A126-I172 HydrophobicContact CB-CD1 3.76Å; A126-I172 HydrophobicContact CB-CG1 3.98Å; W129-I172 HydrophobicContact CB-CB 4.08Å; W129-I172 HydrophobicContact CB-CD1 3.86Å; W129-I172 HydrophobicContact CB-CG2 4.12Å; W129-I172 VanDerWaalsContact CD1-O 3.28Å; W129-I172 HydrophobicContact CG-CB 3.98Å; W129-I172 HydrophobicContact CG-CG2 3.9Å; W129-I172 PolarHBondContact NE1-O 3.24Å; W129-I172 VanDerWaalsContact NE1-O 3.08Å; L130-I172 HydrophobicContact CG-CD1 4.45Å; F133-I172 HydrophobicContact CE2-CD1 4.38Å; F146-I172 HydrophobicContact CE2-CD1 3.5Å; F146-I172 HydrophobicContact CE2-CG1 4.04Å; F146-I172 HydrophobicContact CZ-CD1 3.84Å; W170-I172 HydrophobicContact CE3-CD1 4.37Å; W170-I172 HydrophobicContact CE3-CG1 4.05Å; W170-I172 HydrophobicContact CH2-CD1 4.01Å; W170-I172 HydrophobicContact CZ3-CD1 3.6Å; W170-I172 HydrophobicContact CZ3-CG1 3.69Å; I172-V198 HydrophobicContact CG2-CG1 4.07Å; I172-S199 WeakPolarHBondContact CA-O 3.25Å; I172-V200 HydrophobicContact CG1-CG2 4.25Å |
| 173 | R | 95.6 | Very high | 77 | Confident | 83 Ų | 83 | 60.1 Ų | 60.1 | 31% | 0.313 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 129.1 | 163.7 | 173.6 | 176 | 174.7 | -161.9 | -5.5 | 107.9 | G122 Y123 D175 V198 S199 | G122-R173 WeakPolarHBondContact O-CG 3.24Å; Y123-R173 HydrophobicContact CD1-CB 3.63Å; Y123-R173 HydrophobicContact CD2-CB 4Å; Y123-R173 HydrophobicContact CE1-CB 3.62Å; Y123-R173 HydrophobicContact CE2-CB 3.98Å; Y123-R173 HydrophobicContact CG-CB 3.83Å; R173-D175 IonicContact CZ-OD1 2.87Å; R173-D175 IonicContact CZ-OD2 2.72Å; R173-D175 IonicContact NE-OD1 3.38Å; R173-D175 PolarHBondContact NE-OD1 3.18Å; R173-D175 IonicContact NE-OD2 3.36Å; R173-D175 PolarHBondContact NE-OD2 3.4Å; R173-D175 IonicContact NH2-OD1 3.05Å; R173-D175 PolarHBondContact NH2-OD1 3.04Å; R173-D175 IonicContact NH2-OD2 3.58Å; R173-D175 PolarHBondContact NH2-OD2 3.19Å; R173-V198 WeakPolarHBondContact O-CA 3.47Å; R173-S199 PolarHBondContact N-O 3.42Å; R173-S199 PolarHBondContact O-N 3.33Å |
| 174 | C | 91.4 | Very high | 74.4 | Confident | 12 Ų | 12 | 67.6 Ų | 67.6 | 8% | 0.081 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 110.2 | 174.9 | -177.9 | 0 | 0 | 0 | 0 | 107.6 | W129 F197 V198 | W129-C174 HydrophobicContact CD2-CB 4.18Å; W129-C174 HydrophobicContact CE3-CB 4.11Å; W129-C174 HydrophobicContact CH2-CB 3.6Å; W129-C174 HydrophobicContact CZ2-CB 3.66Å; W129-C174 HydrophobicContact CZ3-CB 3.83Å; C174-F197 WeakPolarHBondContact CA-O 3.25Å; C174-V198 HydrophobicContact CB-CG2 4.48Å |
| 175 | D | 86.4 | Confident | 71.7 | Confident | 66 Ų | 66 | 74.4 Ų | 74.4 | 35% | 0.353 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 97.8 | 175.2 | -59.7 | -34.1 | 0 | 0 | 0 | 107.4 | R173 F197 | R173-D175 IonicContact CZ-OD1 2.87Å; R173-D175 IonicContact CZ-OD2 2.72Å; R173-D175 IonicContact NE-OD1 3.38Å; R173-D175 PolarHBondContact NE-OD1 3.18Å; R173-D175 IonicContact NE-OD2 3.36Å; R173-D175 PolarHBondContact NE-OD2 3.4Å; R173-D175 IonicContact NH2-OD1 3.05Å; R173-D175 PolarHBondContact NH2-OD1 3.04Å; R173-D175 IonicContact NH2-OD2 3.58Å; R173-D175 PolarHBondContact NH2-OD2 3.19Å; D175-F197 HydrophobicContact CB-CB 4.39Å; D175-F197 PolarHBondContact N-O 3.27Å; D175-F197 PolarHBondContact O-N 2.91Å |
| 176 | R | 76.5 | Confident | 69.2 | Low | 83 Ų | 83 | 80.1 Ų | 80.1 | 31% | 0.313 | 46% | 0.457 | S | S | . | . | trans | -89.5 | 135.9 | 171.1 | -63.3 | -178.3 | -177 | -179.9 | -5.9 | 108.9 | E136 V178 D196 | E136-R176 IonicContact OE2-CZ 3.75Å; E136-R176 IonicContact OE2-NH1 3.64Å; E136-R176 PolarHBondContact OE2-NH1 3Å; E136-R176 IonicContact OE2-NH2 2.69Å; R176-V178 PolarHBondContact O-N 3.24Å; R176-D196 WeakPolarHBondContact CA-OD1 3.45Å | ||
| 177 | P | 64.5 | Low | 66.5 | Low | 64 Ų | 64 | 89.2 Ų | 89.2 | 42% | 0.416 | 50% | 0.497 | S | S | . | . | trans | -61.1 | 129.5 | 170.7 | 24.4 | -26.2 | 0 | 0 | 0 | 108 | K179 D196 | P177-K179 PolarHBondContact O-N 3.1Å; P177-D196 WeakPolarHBondContact CD-OD1 3.49Å | ||
| 178 | V | 53.9 | Low | 63.8 | Low | 131 Ų | 131 | 91.8 Ų | 91.8 | 79% | 0.794 | 53% | 0.527 | S | S | * | . | trans | -58.3 | 114.9 | 174.5 | -179.4 | 0 | 0 | 0 | 0 | 106.6 | R176 S180 | R176-V178 PolarHBondContact O-N 3.24Å; V178-S180 PolarHBondContact O-N 3.04Å | ||
| 179 | K | 49.9 | Very low | 61.1 | Low | 182 Ų | 182 | 94.1 Ų | 94.1 | 79% | 0.791 | 54% | 0.544 | S | S | * | . | trans | -65.1 | 95.5 | 163.5 | -70.2 | -178.1 | -178.2 | 174.6 | 0 | 105.3 | P177 S181 | P177-K179 PolarHBondContact O-N 3.1Å; K179-S181 VanDerWaalsContact C-N 3.31Å; K179-S181 PolarHBondContact O-N 3.06Å; K179-S181 PolarHBondContact O-OG 3.42Å | ||
| 180 | S | 40.3 | Very low | 58.3 | Low | 100 Ų | 100 | 98.4 Ų | 98.4 | 70% | 0.699 | 58% | 0.576 | S | S | * | * | trans | -64.8 | 98.4 | 172 | 38.1 | 0 | 0 | 0 | 0 | 107.5 | V178 D182 | V178-S180 PolarHBondContact O-N 3.04Å; S180-D182 PolarHBondContact O-N 3.36Å | ||
| 181 | S | 40.3 | Very low | 55.4 | Low | 115 Ų | 115 | 104.4 Ų | 104.4 | 80% | 0.804 | 61% | 0.612 | S | S | * | * | trans | -73.6 | 46.4 | 170.3 | -46.2 | 0 | 0 | 0 | 0 | 111 | K179 | K179-S181 VanDerWaalsContact C-N 3.31Å; K179-S181 PolarHBondContact O-N 3.06Å; K179-S181 PolarHBondContact O-OG 3.42Å | ||
| 182 | D | 39.2 | Very low | 52.7 | Low | 148 Ų | 148 | 113.8 Ų | 113.8 | 79% | 0.791 | 65% | 0.646 | S | S | * | * | trans | -130.1 | 112 | 172.9 | -82.6 | -36.6 | 0 | 0 | 0 | 108.4 | S180 N184 | S180-D182 PolarHBondContact O-N 3.36Å; D182-N184 PolarHBondContact O-N 3.29Å | ||
| 183 | G | 37.6 | Very low | 50 | Low | 76 Ų | 76 | 122.6 Ų | 122.6 | 78% | 0.784 | 69% | 0.687 | S | S | * | * | trans | -65.5 | 112.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 184 | N | 39.8 | Very low | 47.7 | Very low | 160 Ų | 160 | 122.8 Ų | 122.8 | 86% | 0.856 | 70% | 0.697 | S | S | * | * | trans | -162.2 | 121.4 | 139.3 | -107.2 | -10.8 | 0 | 0 | 0 | 109.8 | D182 S186 | D182-N184 PolarHBondContact O-N 3.29Å; N184-S186 PolarHBondContact O-N 3.26Å | ||
| 185 | E | 37.6 | Very low | 46.1 | Very low | 192 Ų | 192 | 125.5 Ų | 125.5 | 90% | 0.897 | 72% | 0.717 | S | S | * | * | trans | -62.8 | 122.1 | 167.2 | -66.3 | 179 | 148.5 | 0 | 0 | 108.9 | ||||
| 186 | S | 41.2 | Very low | 45.6 | Very low | 120 Ų | 120 | 124.7 Ų | 124.7 | 84% | 0.839 | 71% | 0.712 | S | S | * | * | trans | -155.1 | 132.2 | 156.3 | -76.8 | 0 | 0 | 0 | 0 | 109.8 | N184 | N184-S186 PolarHBondContact O-N 3.26Š| ||
| 187 | E | 34.8 | Very low | 46.2 | Very low | 200 Ų | 200 | 125.4 Ų | 125.4 | 94% | 0.935 | 72% | 0.718 | S | S | * | * | trans | -62.4 | 149.3 | -166.3 | -65.6 | 171.9 | 124.6 | 0 | 0 | 115 | ||||
| 188 | G | 34.1 | Very low | 47.6 | Very low | 71 Ų | 71 | 122.5 Ų | 122.5 | 73% | 0.732 | 70% | 0.699 | S | S | * | * | trans | 77.4 | 73.3 | 139.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 189 | T | 33.2 | Very low | 49.6 | Very low | 133 Ų | 133 | 116.5 Ų | 116.5 | 82% | 0.816 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -158.3 | 119.4 | 143.6 | -69.2 | 0 | 0 | 0 | 0 | 109.3 | V191 | T189-V191 PolarHBondContact O-N 3.09Å; T189-V191 VanDerWaalsContact O-N 3.11Å |
| 190 | S | 34.8 | Very low | 51.9 | Low | 111 Ų | 111 | 108 Ų | 108 | 78% | 0.776 | 63% | 0.626 | S | S | * | * | trans | -5 | 93 | 169.8 | -48.7 | 0 | 0 | 0 | 0 | 116.2 | R192 | S190-R192 PolarHBondContact O-N 2.67Š| ||
| 191 | V | 38.2 | Very low | 54.7 | Low | 126 Ų | 126 | 103.3 Ų | 103.3 | 76% | 0.764 | 59% | 0.594 | S | S | * | * | trans | -62.5 | 92.2 | 163.8 | -178.6 | 0 | 0 | 0 | 0 | 106.5 | T189 H193 | T189-V191 PolarHBondContact O-N 3.09Å; T189-V191 VanDerWaalsContact O-N 3.11Å; V191-H193 PolarHBondContact O-N 3.08Å | ||
| 192 | R | 40.6 | Very low | 57.5 | Low | 217 Ų | 217 | 97.9 Ų | 97.9 | 82% | 0.819 | 56% | 0.555 | S | S | * | * | trans | -56.5 | 111.9 | 160.9 | -76.5 | -179.3 | 178 | 175.4 | 0.1 | 104.2 | S190 T194 | S190-R192 PolarHBondContact O-N 2.67Å; R192-T194 HydrophobicContact CB-CG2 4.21Å; R192-T194 PolarHBondContact O-N 3.49Å | ||
| 193 | H | 40.2 | Very low | 60.3 | Low | 184 Ų | 184 | 92.5 Ų | 92.5 | 85% | 0.852 | 53% | 0.526 | S | S | * | . | trans | -55.9 | 83.3 | 163.5 | -77.4 | -82.1 | 0 | 0 | 0 | 107.2 | V191 S195 | V191-H193 PolarHBondContact O-N 3.08Å; H193-S195 PolarHBondContact O-N 3.05Å | ||
| 194 | T | 47.9 | Very low | 63.1 | Low | 87 Ų | 87 | 91.4 Ų | 91.4 | 53% | 0.534 | 50% | 0.503 | S | S | . | . | trans | -78 | 81.7 | 168 | 55.4 | 0 | 0 | 0 | 0 | 104.2 | R192 | R192-T194 HydrophobicContact CB-CG2 4.21Å; R192-T194 PolarHBondContact O-N 3.49Å | ||
| 195 | S | 56.3 | Low | 65.8 | Low | 69 Ų | 69 | 83.8 Ų | 83.8 | 48% | 0.483 | 46% | 0.462 | S | S | . | . | trans | -51 | 142 | 164.9 | 48.4 | 0 | 0 | 0 | 0 | 108 | H193 F197 | H193-S195 PolarHBondContact O-N 3.05Å; S195-F197 PolarHBondContact O-N 3.29Å | ||
| 196 | D | 77 | Confident | 68.6 | Low | 50 Ų | 50 | 75.2 Ų | 75.2 | 27% | 0.267 | 43% | 0.425 | S | S | . | . | trans | -49.9 | 115.9 | 174.6 | -71.1 | -27.3 | 0 | 0 | 0 | 108.7 | A142 Q145 R176 P177 | A142-D196 HydrophobicContact CB-CB 3.66Å; Q145-D196 PolarHBondContact NE2-O 2.85Å; Q145-D196 PolarHBondContact OE1-O 2.94Å; R176-D196 WeakPolarHBondContact CA-OD1 3.45Å; P177-D196 WeakPolarHBondContact CD-OD1 3.49Å | ||
| 197 | F | 88.6 | Confident | 71.2 | Confident | 98 Ų | 98 | 72 Ų | 72 | 43% | 0.43 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 124.3 | 178.7 | 179.3 | -102.8 | 0 | 0 | 0 | 108.7 | C174 D175 S195 | C174-F197 WeakPolarHBondContact CA-O 3.25Å; D175-F197 HydrophobicContact CB-CB 4.39Å; D175-F197 PolarHBondContact N-O 3.27Å; D175-F197 PolarHBondContact O-N 2.91Å; S195-F197 PolarHBondContact O-N 3.29Å |
| 198 | V | 94.3 | Very high | 74.1 | Confident | 2 Ų | 2 | 62.7 Ų | 62.7 | 1% | 0.012 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 125.5 | 177.7 | -170.5 | 0 | 0 | 0 | 0 | 110 | L138 A142 Q145 F146 I172 R173 C174 | L138-V198 HydrophobicContact CD1-CG2 4.35Å; A142-V198 HydrophobicContact CB-CG2 4.17Å; Q145-V198 HydrophobicContact CB-CB 4.47Å; Q145-V198 VanDerWaalsContact OE1-N 3.15Å; F146-V198 HydrophobicContact CB-CB 4.36Å; F146-V198 HydrophobicContact CB-CG1 3.89Å; F146-V198 HydrophobicContact CD2-CG1 3.71Å; F146-V198 HydrophobicContact CG-CG1 4.19Å; I172-V198 HydrophobicContact CG2-CG1 4.07Å; R173-V198 WeakPolarHBondContact O-CA 3.47Å; C174-V198 HydrophobicContact CB-CG2 4.48Å |
| 199 | S | 96.3 | Very high | 77.2 | Confident | 6 Ų | 6 | 59.6 Ų | 59.6 | 4% | 0.042 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 150.7 | 176.9 | 64.8 | 0 | 0 | 0 | 0 | 112.3 | Y123 I172 R173 | Y123-S199 PolarHBondContact OH-OG 3.15Å; I172-S199 WeakPolarHBondContact CA-O 3.25Å; R173-S199 PolarHBondContact N-O 3.42Å; R173-S199 PolarHBondContact O-N 3.33Å |
| 200 | V | 98.1 | Very high | 80.2 | Confident | 3 Ų | 3 | 53.3 Ų | 53.3 | 2% | 0.018 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 143.2 | 177.4 | 168.7 | 0 | 0 | 0 | 0 | 110 | F146 Q149 L153 W170 L171 I172 | F146-V200 HydrophobicContact CD2-CG2 4.47Å; F146-V200 HydrophobicContact CE2-CG2 4.2Å; Q149-V200 HydrophobicContact CB-CB 3.99Å; Q149-V200 HydrophobicContact CB-CG2 3.7Å; L153-V200 HydrophobicContact CB-CG1 4.43Å; L153-V200 HydrophobicContact CD2-CG1 4.48Å; W170-V200 HydrophobicContact CE3-CG1 3.82Å; W170-V200 HydrophobicContact CE3-CG2 4.2Å; W170-V200 HydrophobicContact CZ3-CG1 4.46Å; W170-V200 HydrophobicContact CZ3-CG2 4.06Å; L171-V200 CarbonylContact O-C 3.59Å; L171-V200 VanDerWaalsContact O-CA 3.29Å; L171-V200 WeakPolarHBondContact O-CA 3.46Å; I172-V200 HydrophobicContact CG1-CG2 4.25Å |
| 201 | A | 98.6 | Very high | 83 | Confident | 2 Ų | 2 | 50.3 Ų | 50.3 | 2% | 0.017 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 120.8 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | I63 P65 V120 Y123 W170 L171 I203 | I63-A201 CarbonylContact O-C 3.54Å; I63-A201 VanDerWaalsContact O-CA 3.24Å; I63-A201 WeakPolarHBondContact O-CA 3.44Å; P65-A201 HydrophobicContact CG-CB 4.36Å; V120-A201 HydrophobicContact CG2-CB 4.08Å; Y123-A201 HydrophobicContact CD1-CB 3.84Å; Y123-A201 HydrophobicContact CE1-CB 3.67Å; W170-A201 CarbonylContact C-O 3.53Å; W170-A201 WeakPolarHBondContact CA-O 3.08Å; L171-A201 HydrophobicContact CB-CB 4.3Å; L171-A201 PolarHBondContact N-O 3.07Å; L171-A201 PolarHBondContact O-N 2.79Å; A201-I203 PolarHBondContact O-N 3.42Å |
| 202 | A | 98.6 | Very high | 85.7 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 102.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | I63 V64 L153 L156 N205 | I63-A202 HydrophobicContact CD1-CB 4.12Å; I63-A202 HydrophobicContact CG1-CB 4.26Å; I63-A202 PolarHBondContact O-N 2.77Å; V64-A202 HydrophobicContact CG2-CB 4.04Å; L153-A202 HydrophobicContact CD1-CB 3.76Å; L156-A202 HydrophobicContact CD2-CB 3.78Å; A202-N205 PolarHBondContact O-ND2 2.95Å; A202-N205 VanDerWaalsContact O-ND2 3.11Å |
| 203 | I | 98.1 | Very high | 88.2 | Confident | 36 Ų | 36 | 37.2 Ų | 37.2 | 19% | 0.185 | 20% | 0.195 | C | C | . | . | trans | -106.6 | 173.6 | -179.1 | 63.4 | 163.9 | 0 | 0 | 0 | 110.9 | P65 R165 N169 L171 A201 N205 | P65-I203 HydrophobicContact CG-CG2 4.32Å; R165-I203 PolarHBondContact NH1-O 3.2Å; N169-I203 WeakPolarHBondContact O-CG1 3.38Å; L171-I203 HydrophobicContact CD1-CD1 4.02Å; L171-I203 HydrophobicContact CD1-CG2 4.15Å; L171-I203 HydrophobicContact CD2-CD1 3.77Å; L171-I203 HydrophobicContact CD2-CG1 4.49Å; L171-I203 HydrophobicContact CG-CD1 3.83Å; L171-I203 HydrophobicContact CG-CG1 4.19Å; L171-I203 HydrophobicContact CG-CG2 4.4Å; A201-I203 PolarHBondContact O-N 3.42Å; I203-N205 PolarHBondContact O-N 3.26Å | ||
| 204 | D | 96.4 | Very high | 90.4 | Very high | 53 Ų | 53 | 29 Ų | 29 | 28% | 0.283 | 16% | 0.158 | S | C | . | . | trans | 50.8 | 56.2 | 175 | -155.7 | 20.8 | 0 | 0 | 0 | 115 | K8 E49 N169 G206 | K8-D204 IonicContact NZ-OD1 2.67Å; K8-D204 PolarHBondContact NZ-OD1 3.11Å; E49-D204 WeakPolarHBondContact OE1-CA 3.49Å; N169-D204 HydrophobicContact CB-CB 4.48Å; D204-G206 VanDerWaalsContact C-N 3.27Å; D204-G206 PolarHBondContact O-N 2.89Å | ||
| 205 | N | 97.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 15% | 0.145 | C | C | . | . | trans | -91.3 | 18.2 | -178.1 | -50.7 | -73.7 | 0 | 0 | 0 | 112.5 | S48 E49 A52 R165 A202 I203 L207 | S48-N205 CarbonylContact C-O 3.52Å; S48-N205 WeakPolarHBondContact CB-O 3.4Å; S48-N205 PolarHBondContact OG-O 3.34Å; E49-N205 PolarHBondContact OE1-N 2.85Å; E49-N205 WeakPolarHBondContact OE2-CA 3.33Å; E49-N205 WeakPolarHBondContact OE2-CB 3.38Å; E49-N205 PolarHBondContact OE2-N 3.43Å; A52-N205 HydrophobicContact CB-CB 3.39Å; R165-N205 PolarHBondContact NH2-OD1 2.67Å; A202-N205 PolarHBondContact O-ND2 2.95Å; A202-N205 VanDerWaalsContact O-ND2 3.11Å; I203-N205 PolarHBondContact O-N 3.26Å; N205-L207 PolarHBondContact O-N 3.19Å; N205-L207 VanDerWaalsContact O-N 3.17Å | ||
| 206 | G | 96.1 | Very high | 92.6 | Very high | 11 Ų | 11 | 31 Ų | 31 | 11% | 0.113 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -4.3 | -172.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | G45 E49 D204 | G45-G206 VanDerWaalsContact CA-O 3.28Å; G45-G206 WeakPolarHBondContact CA-O 3.4Å; G45-G206 WeakPolarHBondContact O-CA 3.48Å; E49-G206 VanDerWaalsContact CD-N 3.34Å; E49-G206 PolarHBondContact OE1-N 2.63Å; D204-G206 VanDerWaalsContact C-N 3.27Å; D204-G206 PolarHBondContact O-N 2.89Å |
| 207 | L | 94.9 | Very high | 91.7 | Very high | 53 Ų | 53 | 34.4 Ų | 34.4 | 28% | 0.277 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -126.1 | 50 | -175.2 | -63.4 | 168.6 | 0 | 0 | 0 | 111.2 | L40 T163 D164 N205 | L40-L207 HydrophobicContact CD1-CB 3.98Å; L40-L207 HydrophobicContact CD1-CD2 3.67Å; L40-L207 HydrophobicContact CD1-CG 4.45Å; T163-L207 WeakPolarHBondContact CB-O 3.45Å; T163-L207 PolarHBondContact N-O 3.18Å; T163-L207 PolarHBondContact OG1-O 3.01Å; D164-L207 HydrophobicContact CB-CB 3.93Å; D164-L207 HydrophobicContact CB-CD1 3.73Å; D164-L207 HydrophobicContact CB-CG 4.49Å; D164-L207 WeakPolarHBondContact OD2-CD1 3.14Å; N205-L207 PolarHBondContact O-N 3.19Å; N205-L207 VanDerWaalsContact O-N 3.17Å |
| 208 | A | 97.1 | Very high | 90.7 | Very high | 5 Ų | 5 | 32.5 Ų | 32.5 | 4% | 0.041 | 15% | 0.154 | C | C | . | . | trans | -123.5 | -174.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | L40 S48 I160 N162 | L40-A208 WeakPolarHBondContact CD2-O 3.42Å; S48-A208 WeakPolarHBondContact OG-CA 3.38Å; S48-A208 WeakPolarHBondContact OG-CB 3.36Å; S48-A208 PolarHBondContact OG-N 3.06Å; S48-A208 PolarHBondContact OG-O 3.31Å; I160-A208 HydrophobicContact CB-CB 4.02Å; I160-A208 HydrophobicContact CD1-CB 3.63Å; I160-A208 HydrophobicContact CG1-CB 3.64Å; N162-A208 HydrophobicContact CB-CB 4.41Å | ||
| 209 | F | 97.7 | Very high | 89.7 | Confident | 5 Ų | 5 | 35 Ų | 35 | 2% | 0.022 | 18% | 0.176 | C | C | . | . | trans | 55.8 | 58.9 | -176.2 | -56.2 | -85.8 | 0 | 0 | 0 | 113.2 | A51 V55 I160 L259 F263 Q277 M278 M281 | A51-F209 HydrophobicContact CB-CD2 4.11Å; A51-F209 HydrophobicContact CB-CE1 4.37Å; A51-F209 HydrophobicContact CB-CE2 3.37Å; A51-F209 HydrophobicContact CB-CZ 3.51Å; V55-F209 HydrophobicContact CG2-CE1 4.33Å; V55-F209 HydrophobicContact CG2-CZ 4.05Å; I160-F209 HydrophobicContact CB-CD2 4.42Å; I160-F209 HydrophobicContact CB-CE1 4.07Å; I160-F209 HydrophobicContact CB-CE2 3.94Å; I160-F209 HydrophobicContact CB-CZ 3.76Å; I160-F209 HydrophobicContact CG2-CE1 3.89Å; I160-F209 HydrophobicContact CG2-CE2 3.98Å; I160-F209 HydrophobicContact CG2-CZ 3.41Å; I160-F209 VanDerWaalsContact CG2-CZ 3.41Å; I160-F209 WeakPolarHBondContact O-CA 3.49Å; I160-F209 PolarHBondContact O-N 3.47Å; F209-L259 HydrophobicContact CE1-CD1 4.1Å; F209-L259 HydrophobicContact CE1-CD2 4.26Å; F209-L259 HydrophobicContact CZ-CD2 4.35Å; F209-F263 HydrophobicContact CB-CZ 4.32Å; F209-F263 HydrophobicContact CD2-CZ 4.36Å; F209-F263 HydrophobicContact CG-CZ 4.15Å; F209-Q277 WeakPolarHBondContact O-CG 3.46Å; F209-Q277 PolarHBondContact O-NE2 2.88Å; F209-M278 HydrophobicContact CD1-CE 4.41Å; F209-M281 HydrophobicContact CE1-SD 4.33Å | ||
| 210 | P | 96.6 | Very high | 89.1 | Confident | 2 Ų | 2 | 36.5 Ų | 36.5 | 1% | 0.013 | 18% | 0.181 | C | C | . | . | trans | -70.5 | 145 | 174.8 | 32.9 | -35.9 | 0 | 0 | 0 | 111.8 | C39 L40 R161 K212 V280 | C39-P210 HydrophobicContact CB-CB 4.04Å; C39-P210 CarbonylContact O-C 3.59Å; C39-P210 WeakPolarHBondContact O-CA 3.26Å; C39-P210 VanDerWaalsContact O-CB 3.3Å; C39-P210 WeakPolarHBondContact O-CB 3.49Å; L40-P210 HydrophobicContact CD2-CB 3.8Å; R161-P210 HydrophobicContact CB-CG 3.88Å; R161-P210 HydrophobicContact CG-CG 3.69Å; R161-P210 WeakPolarHBondContact O-CD 3.39Å; P210-K212 VanDerWaalsContact C-N 3.27Å; P210-K212 WeakPolarHBondContact CB-O 3.48Å; P210-V280 HydrophobicContact CG-CG1 4.31Å | ||
| 211 | F | 94.3 | Very high | 88.7 | Confident | 48 Ų | 48 | 39 Ų | 39 | 21% | 0.211 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -81.8 | -7.3 | 176.8 | 64.1 | -102.5 | 0 | 0 | 0 | 113.1 | S38 C39 T273 R276 Q277 | S38-F211 WeakPolarHBondContact O-CE1 3.4Å; S38-F211 WeakPolarHBondContact O-CZ 3.36Å; C39-F211 VanDerWaalsContact C-CE1 3.42Å; C39-F211 WeakPolarHBondContact O-CD1 3.3Å; C39-F211 WeakPolarHBondContact O-CE1 3.48Å; C39-F211 PolarHBondContact O-N 2.95Å; F211-T273 HydrophobicContact CB-CG2 3.97Å; F211-T273 HydrophobicContact CD1-CG2 4.11Å; F211-T273 HydrophobicContact CG-CG2 4.23Å; F211-R276 HydrophobicContact CB-CB 4.04Å; F211-R276 WeakPolarHBondContact O-CB 3.34Å; F211-Q277 HydrophobicContact CB-CG 3.81Å |
| 212 | K | 93.9 | Very high | 88.5 | Confident | 64 Ų | 64 | 39.6 Ų | 39.6 | 28% | 0.278 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -148.8 | 153.2 | 167.5 | 62.2 | 169.5 | -170.6 | 156.7 | 0 | 108.4 | C39 P210 D215 | C39-K212 HydrophobicContact CB-CG 3.85Å; C39-K212 WeakPolarHBondContact CB-O 3.29Å; P210-K212 VanDerWaalsContact C-N 3.27Å; P210-K212 WeakPolarHBondContact CB-O 3.48Å; K212-D215 IonicContact NZ-OD1 2.67Å; K212-D215 PolarHBondContact NZ-OD1 3Å; K212-D215 IonicContact NZ-OD2 2.76Å; K212-D215 PolarHBondContact NZ-OD2 3.31Å |
| 213 | H | 92.6 | Very high | 88.3 | Confident | 4 Ų | 4 | 43.8 Ų | 43.8 | 2% | 0.019 | 22% | 0.219 | C | C | . | . | P | Polyproline II helix | trans | -57.9 | 146.3 | 167.3 | -71.9 | -65.4 | 0 | 0 | 0 | 110.2 | Q284 P306 M307 Q332 | H213-Q284 PolarHBondContact CE1-NE2 3.16Å; H213-P306 HydrophobicContact CB-CB 4.36Å; H213-M307 PolarHBondContact NE2-O 3.2Å; H213-Q332 PolarHBondContact O-NE2 3.14Å |
| 214 | P | 87.4 | Confident | 88.3 | Confident | 12 Ų | 12 | 42.1 Ų | 42.1 | 8% | 0.078 | 21% | 0.21 | C | C | . | . | P | Polyproline II helix | trans | -57.1 | 146.9 | 177.6 | -21.7 | 33.3 | 0 | 0 | 0 | 111.8 | R218 Y220 Q332 | P214-R218 WeakPolarHBondContact CB-O 3.1Å; P214-Y220 HydrophobicContact CB-CD2 3.57Å; P214-Y220 HydrophobicContact CB-CE2 4.01Å; P214-Y220 HydrophobicContact CG-CD2 3.58Å; P214-Y220 HydrophobicContact CG-CE2 4.36Å; P214-Y220 HydrophobicContact CG-CG 4.48Å; P214-Q332 PolarHBondContact O-NE2 2.85Å |
| 215 | D | 79.1 | Confident | 88.3 | Confident | 47 Ų | 47 | 40 Ų | 40 | 25% | 0.251 | 20% | 0.2 | S | C | . | . | P | Polyproline II helix | trans | -70.9 | 145.7 | 173 | -54.4 | -44.1 | 0 | 0 | 0 | 108.8 | K212 W217 R218 | K212-D215 IonicContact NZ-OD1 2.67Å; K212-D215 PolarHBondContact NZ-OD1 3Å; K212-D215 IonicContact NZ-OD2 2.76Å; K212-D215 PolarHBondContact NZ-OD2 3.31Å; D215-W217 VanDerWaalsContact C-N 3.26Å; D215-W217 PolarHBondContact O-N 3.31Å; D215-W217 VanDerWaalsContact O-N 3.09Å; D215-R218 CarbonylContact O-C 3.53Å; D215-R218 WeakPolarHBondContact O-CA 3.36Å; D215-R218 PolarHBondContact O-N 2.96Å |
| 216 | E | 71.3 | Confident | 88.1 | Confident | 149 Ų | 149 | 47.8 Ų | 47.8 | 70% | 0.696 | 23% | 0.229 | S | C | * | . | G | 310 helix | trans | -54.1 | -36.8 | -168.6 | -71.6 | -177.8 | 171.5 | 0 | 0 | 114.4 | R218 A219 | E216-R218 PolarHBondContact O-N 3.13Å; E216-R218 VanDerWaalsContact O-N 3.11Å; E216-A219 PolarHBondContact O-N 3.35Å |
| 217 | W | 58.6 | Low | 88.1 | Confident | 122 Ų | 122 | 48.8 Ų | 48.8 | 46% | 0.462 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -65.9 | -11.4 | 177.4 | 66.4 | -79.7 | 0 | 0 | 0 | 113.9 | D215 F337 | D215-W217 VanDerWaalsContact C-N 3.26Å; D215-W217 PolarHBondContact O-N 3.31Å; D215-W217 VanDerWaalsContact O-N 3.09Å; W217-F337 AromaticContact CD1-CE2 3.59Å; W217-F337 HydrophobicContact CD2-CE2 4.25Å; W217-F337 AromaticContact CG-CE2 3.98Å; W217-F337 HydrophobicContact CG-CE2 3.98Å; W217-F337 AromaticContact NE1-CE2 3.66Å |
| 218 | R | 67.8 | Low | 88.1 | Confident | 58 Ų | 58 | 50.9 Ų | 50.9 | 22% | 0.219 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -136.5 | 65 | 169.4 | -71.8 | -169.7 | -179.7 | 151.5 | 6.6 | 110.4 | C34 G36 P214 D215 E216 Y220 | C34-R218 VanDerWaalsContact C-NH2 3.32Å; C34-R218 PolarHBondContact O-NH2 3.31Å; G36-R218 PolarHBondContact O-NH1 3.37Å; P214-R218 WeakPolarHBondContact CB-O 3.1Å; D215-R218 CarbonylContact O-C 3.53Å; D215-R218 WeakPolarHBondContact O-CA 3.36Å; D215-R218 PolarHBondContact O-N 2.96Å; E216-R218 PolarHBondContact O-N 3.13Å; E216-R218 VanDerWaalsContact O-N 3.11Å; R218-Y220 HydrophobicContact CB-CE1 4.17Å; R218-Y220 HydrophobicContact CB-CE2 4.04Å; R218-Y220 WeakPolarHBondContact CD-OH 3.41Å; R218-Y220 VanDerWaalsContact O-CD2 3.24Å; R218-Y220 WeakPolarHBondContact O-CD2 3.38Å; R218-Y220 WeakPolarHBondContact O-CE2 3.41Å; R218-Y220 PolarHBondContact O-N 3.06Å |
| 219 | A | 72.4 | Confident | 88.1 | Confident | 56 Ų | 56 | 51.5 Ų | 51.5 | 46% | 0.463 | 24% | 0.241 | S | C | . | . | trans | -61.1 | -15 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | R161 E216 | R161-A219 PolarHBondContact NH2-O 2.92Å; E216-A219 PolarHBondContact O-N 3.35Å | ||
| 220 | Y | 84.5 | Confident | 88.1 | Confident | 37 Ų | 37 | 51.3 Ų | 51.3 | 15% | 0.145 | 24% | 0.24 | C | C | . | . | trans | 38.1 | 67.1 | -174.5 | -55.2 | -57 | 0 | 0 | 0 | 111.6 | G36 R37 R161 T163 P214 R218 | G36-Y220 PolarHBondContact O-OH 3.08Å; R37-Y220 WeakPolarHBondContact CA-OH 3.38Å; R37-Y220 HydrophobicContact CB-CE2 4.37Å; R37-Y220 HydrophobicContact CG-CD1 4.48Å; R37-Y220 HydrophobicContact CG-CE1 3.83Å; R37-Y220 HydrophobicContact CG-CE2 4.07Å; R161-Y220 PolarHBondContact NH1-O 2.85Å; R161-Y220 PolarHBondContact NH2-O 2.66Å; R161-Y220 VanDerWaalsContact NH2-O 3.07Å; T163-Y220 HydrophobicContact CG2-CD2 4.35Å; P214-Y220 HydrophobicContact CB-CD2 3.57Å; P214-Y220 HydrophobicContact CB-CE2 4.01Å; P214-Y220 HydrophobicContact CG-CD2 3.58Å; P214-Y220 HydrophobicContact CG-CE2 4.36Å; P214-Y220 HydrophobicContact CG-CG 4.48Å; R218-Y220 HydrophobicContact CB-CE1 4.17Å; R218-Y220 HydrophobicContact CB-CE2 4.04Å; R218-Y220 WeakPolarHBondContact CD-OH 3.41Å; R218-Y220 VanDerWaalsContact O-CD2 3.24Å; R218-Y220 WeakPolarHBondContact O-CD2 3.38Å; R218-Y220 WeakPolarHBondContact O-CE2 3.41Å; R218-Y220 PolarHBondContact O-N 3.06Å | ||
| 221 | P | 90 | Very high | 88.2 | Confident | 56 Ų | 56 | 59.8 Ų | 59.8 | 36% | 0.364 | 27% | 0.272 | S | S | . | . | trans | -68.3 | 156.1 | -171.3 | 31.3 | -36.7 | 0 | 0 | 0 | 111 | H223 W226 | P221-H223 PolarHBondContact O-N 3.46Å; P221-W226 HydrophobicContact CB-CH2 3.37Å; P221-W226 HydrophobicContact CB-CZ3 3.7Å; P221-W226 HydrophobicContact CG-CH2 3.5Å; P221-W226 HydrophobicContact CG-CZ3 3.85Å | ||
| 222 | F | 94.1 | Very high | 88.4 | Confident | 13 Ų | 13 | 62 Ų | 62 | 6% | 0.057 | 28% | 0.283 | C | S | . | . | trans | -76.3 | 110.5 | 169.4 | -60.1 | -72.9 | 0 | 0 | 0 | 109 | D157 Y158 R161 N162 W224 A225 V302 | D157-F222 HydrophobicContact CB-CD1 4.13Å; D157-F222 HydrophobicContact CB-CE1 3.98Å; D157-F222 WeakPolarHBondContact O-CE1 3.47Å; Y158-F222 AromaticContact CD2-CE2 3.95Å; Y158-F222 HydrophobicContact CD2-CE2 3.95Å; Y158-F222 HydrophobicContact CD2-CZ 4.2Å; Y158-F222 HydrophobicContact CE2-CE2 4.44Å; R161-F222 VanDerWaalsContact CD-CZ 3.45Å; N162-F222 HydrophobicContact CB-CE1 4.47Å; N162-F222 VanDerWaalsContact O-CE1 3.32Å; N162-F222 WeakPolarHBondContact O-CE1 3.34Å; F222-W224 HydrophobicContact CB-CD2 3.93Å; F222-W224 HydrophobicContact CB-CE3 4.38Å; F222-W224 HydrophobicContact CB-CG 4.49Å; F222-W224 HydrophobicContact CB-CH2 3.97Å; F222-W224 HydrophobicContact CB-CZ2 3.54Å; F222-W224 HydrophobicContact CB-CZ3 4.38Å; F222-W224 AromaticContact CD1-CZ2 3.76Å; F222-W224 HydrophobicContact CD1-CZ2 3.76Å; F222-W224 HydrophobicContact CD2-CH2 4.23Å; F222-W224 HydrophobicContact CD2-CZ2 4.07Å; F222-W224 HydrophobicContact CE1-CZ2 4.44Å; F222-W224 AromaticContact CG-CE2 3.93Å; F222-W224 HydrophobicContact CG-CH2 4.07Å; F222-W224 AromaticContact CG-CZ2 3.53Å; F222-W224 HydrophobicContact CG-CZ2 3.53Å; F222-W224 PolarHBondContact O-N 3.34Å; F222-A225 WeakPolarHBondContact O-CB 3.38Å; F222-A225 PolarHBondContact O-N 3.29Å; F222-V302 HydrophobicContact CD2-CB 4.47Å; F222-V302 HydrophobicContact CD2-CG1 3.62Å; F222-V302 HydrophobicContact CE2-CG1 4.14Å | ||
| 223 | H | 94.6 | Very high | 88.6 | Confident | 89 Ų | 89 | 62.5 Ų | 62.5 | 41% | 0.412 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -64.3 | -27.6 | -174.2 | -70.6 | -94.7 | 0 | 0 | 0 | 113.3 | R165 P221 A225 W226 | R165-H223 VanDerWaalsContact O-CB 3.25Å; R165-H223 WeakPolarHBondContact O-CB 3.24Å; R165-H223 PolarHBondContact O-CD2 3.36Å; R165-H223 VanDerWaalsContact O-CD2 3.26Å; R165-H223 PolarHBondContact O-N 3.48Å; P221-H223 PolarHBondContact O-N 3.46Å; H223-A225 PolarHBondContact O-N 2.94Å; H223-W226 PolarHBondContact O-N 3.35Å |
| 224 | W | 96.6 | Very high | 88.9 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -64.8 | -16.7 | 174 | 52.1 | -113.5 | 0 | 0 | 0 | 113.7 | F150 V154 D157 F222 W226 L227 P298 V302 | F150-W224 HydrophobicContact CE2-CB 3.69Å; F150-W224 HydrophobicContact CE2-CG 4.37Å; F150-W224 HydrophobicContact CZ-CB 3.94Å; F150-W224 HydrophobicContact CZ-CD2 4.49Å; F150-W224 HydrophobicContact CZ-CE3 4.17Å; F150-W224 HydrophobicContact CZ-CG 4.44Å; V154-W224 HydrophobicContact CB-CH2 4.17Å; V154-W224 HydrophobicContact CB-CZ2 4.21Å; V154-W224 HydrophobicContact CB-CZ3 4.43Å; V154-W224 HydrophobicContact CG1-CH2 3.61Å; V154-W224 HydrophobicContact CG1-CZ2 4.03Å; V154-W224 HydrophobicContact CG1-CZ3 4.02Å; V154-W224 HydrophobicContact CG2-CD2 3.92Å; V154-W224 HydrophobicContact CG2-CE3 3.7Å; V154-W224 HydrophobicContact CG2-CH2 3.95Å; V154-W224 HydrophobicContact CG2-CZ2 4.08Å; V154-W224 HydrophobicContact CG2-CZ3 3.74Å; D157-W224 HydrophobicContact CB-CZ2 4.32Å; D157-W224 PolarHBondContact OD2-NE1 3Å; F222-W224 HydrophobicContact CB-CD2 3.93Å; F222-W224 HydrophobicContact CB-CE3 4.38Å; F222-W224 HydrophobicContact CB-CG 4.49Å; F222-W224 HydrophobicContact CB-CH2 3.97Å; F222-W224 HydrophobicContact CB-CZ2 3.54Å; F222-W224 HydrophobicContact CB-CZ3 4.38Å; F222-W224 AromaticContact CD1-CZ2 3.76Å; F222-W224 HydrophobicContact CD1-CZ2 3.76Å; F222-W224 HydrophobicContact CD2-CH2 4.23Å; F222-W224 HydrophobicContact CD2-CZ2 4.07Å; F222-W224 HydrophobicContact CE1-CZ2 4.44Å; F222-W224 AromaticContact CG-CE2 3.93Å; F222-W224 HydrophobicContact CG-CH2 4.07Å; F222-W224 AromaticContact CG-CZ2 3.53Å; F222-W224 HydrophobicContact CG-CZ2 3.53Å; F222-W224 PolarHBondContact O-N 3.34Å; W224-W226 PolarHBondContact O-N 2.79Å; W224-L227 HydrophobicContact CB-CD1 4.01Å; W224-L227 WeakPolarHBondContact O-CB 3.47Å; W224-L227 WeakPolarHBondContact O-CG 3.35Å; W224-L227 PolarHBondContact O-N 3.44Å; W224-P298 HydrophobicContact CE3-CB 4.47Å; W224-P298 HydrophobicContact CZ3-CB 3.81Å; W224-V302 HydrophobicContact CH2-CG1 3.58Å; W224-V302 HydrophobicContact CZ3-CG1 3.95Å |
| 225 | A | 96.4 | Very high | 89.4 | Confident | 9 Ų | 9 | 63.5 Ų | 63.5 | 7% | 0.074 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -63.4 | -24.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | F222 H223 L227 A230 M299 V302 | F222-A225 WeakPolarHBondContact O-CB 3.38Å; F222-A225 PolarHBondContact O-N 3.29Å; H223-A225 PolarHBondContact O-N 2.94Å; A225-L227 VanDerWaalsContact C-N 3.33Å; A225-A230 WeakPolarHBondContact O-CB 3.36Å; A225-M299 WeakPolarHBondContact O-CE 3.3Å; A225-V302 HydrophobicContact CB-CG2 4.07Å |
| 226 | W | 94.9 | Very high | 90.3 | Very high | 163 Ų | 163 | 66.1 Ų | 66.1 | 62% | 0.617 | 31% | 0.31 | S | S | * | . | G | 310 helix | trans | -82.5 | -7.4 | 176.7 | -71.8 | -81.5 | 0 | 0 | 0 | 114.4 | P221 H223 W224 | P221-W226 HydrophobicContact CB-CH2 3.37Å; P221-W226 HydrophobicContact CB-CZ3 3.7Å; P221-W226 HydrophobicContact CG-CH2 3.5Å; P221-W226 HydrophobicContact CG-CZ3 3.85Å; H223-W226 PolarHBondContact O-N 3.35Å; W224-W226 PolarHBondContact O-N 2.79Å |
| 227 | L | 95.7 | Very high | 91.6 | Very high | 32 Ų | 32 | 61.8 Ų | 61.8 | 17% | 0.168 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -74.9 | 151.6 | 179.1 | -60 | 176.5 | 0 | 0 | 0 | 111.2 | L130 F150 W170 W224 A225 Q229 A230 | L130-L227 HydrophobicContact CD1-CD1 3.85Å; L130-L227 HydrophobicContact CD1-CD2 3.92Å; L130-L227 HydrophobicContact CD2-CD1 4.42Å; F150-L227 HydrophobicContact CE2-CD1 3.92Å; W170-L227 HydrophobicContact CH2-CD1 4.29Å; W170-L227 HydrophobicContact CZ2-CD1 3.83Å; W224-L227 HydrophobicContact CB-CD1 4.01Å; W224-L227 WeakPolarHBondContact O-CB 3.47Å; W224-L227 WeakPolarHBondContact O-CG 3.35Å; W224-L227 PolarHBondContact O-N 3.44Å; A225-L227 VanDerWaalsContact C-N 3.33Å; L227-Q229 PolarHBondContact O-N 2.88Å; L227-A230 WeakPolarHBondContact O-CB 3.49Å; L227-A230 PolarHBondContact O-N 3.38Å |
| 228 | K | 95.3 | Very high | 93.4 | Very high | 98 Ų | 98 | 56 Ų | 56 | 43% | 0.426 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -58.1 | -35.3 | 177.6 | 61.4 | -169.9 | 179.6 | -159.5 | 0 | 112.1 | F133 D134 A230 R231 | F133-K228 PolarHBondContact O-NZ 3.45Å; D134-K228 IonicContact OD1-NZ 2.73Å; D134-K228 PolarHBondContact OD1-NZ 3.32Å; K228-A230 PolarHBondContact O-N 2.98Å; K228-R231 WeakPolarHBondContact O-CB 3.46Å; K228-R231 PolarHBondContact O-N 3.01Å; K228-R231 VanDerWaalsContact O-N 3.08Å |
| 229 | Q | 96.8 | Very high | 94.9 | Very high | 18 Ų | 18 | 56 Ų | 56 | 8% | 0.084 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -61.2 | -27.3 | 177.5 | -66.6 | 79.6 | 3.2 | 0 | 0 | 113.1 | F146 Q147 F150 L227 R231 E232 | F146-Q229 HydrophobicContact CD1-CG 4.31Å; F146-Q229 HydrophobicContact CE1-CG 3.85Å; Q147-Q229 PolarHBondContact NE2-O 3.04Å; Q147-Q229 VanDerWaalsContact OE1-CB 3.31Å; F150-Q229 HydrophobicContact CD1-CB 3.68Å; F150-Q229 HydrophobicContact CD2-CB 4.39Å; F150-Q229 HydrophobicContact CE1-CB 3.7Å; F150-Q229 HydrophobicContact CE2-CB 4.4Å; F150-Q229 HydrophobicContact CG-CB 4.04Å; F150-Q229 HydrophobicContact CZ-CB 4.07Å; L227-Q229 PolarHBondContact O-N 2.88Å; Q229-R231 PolarHBondContact O-N 2.89Å; Q229-E232 PolarHBondContact O-N 3.38Å |
| 230 | A | 97.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -73.3 | -12.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | F150 A225 L227 K228 S297 P298 M299 | F150-A230 HydrophobicContact CE1-CB 4.28Å; F150-A230 HydrophobicContact CZ-CB 4.18Å; A225-A230 WeakPolarHBondContact O-CB 3.36Å; L227-A230 WeakPolarHBondContact O-CB 3.49Å; L227-A230 PolarHBondContact O-N 3.38Å; K228-A230 PolarHBondContact O-N 2.98Å; A230-S297 WeakPolarHBondContact O-CB 3.43Å; A230-P298 HydrophobicContact CB-CB 4.06Å; A230-P298 WeakPolarHBondContact O-CD 3.36Å; A230-M299 VanDerWaalsContact O-CB 3.23Å; A230-M299 WeakPolarHBondContact O-CB 3.08Å; A230-M299 PolarHBondContact O-N 2.96Å |
| 231 | R | 98.1 | Very high | 96.8 | Very high | 180 Ų | 180 | 60.7 Ų | 60.7 | 68% | 0.679 | 28% | 0.28 | S | S | * | . | G | 310 helix | trans | -87.7 | -20 | 178.2 | -58.2 | -176.8 | -178.2 | -149.4 | 0.7 | 112.8 | K228 Q229 S297 | K228-R231 WeakPolarHBondContact O-CB 3.46Å; K228-R231 PolarHBondContact O-N 3.01Å; K228-R231 VanDerWaalsContact O-N 3.08Å; Q229-R231 PolarHBondContact O-N 2.89Å; R231-S297 WeakPolarHBondContact O-CB 3.19Å |
| 232 | E | 97.7 | Very high | 97.2 | Very high | 96 Ų | 96 | 58 Ų | 58 | 45% | 0.449 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -72 | 134.5 | 176.5 | -61.9 | -70.3 | 174.8 | 0 | 0 | 110 | Q229 S297 P298 | Q229-E232 PolarHBondContact O-N 3.38Å; E232-S297 WeakPolarHBondContact O-CA 3.3Å; E232-S297 WeakPolarHBondContact O-CB 3.44Å; E232-P298 WeakPolarHBondContact O-CD 3.16Å |
| 233 | P | 98.5 | Very high | 97.4 | Very high | 73 Ų | 73 | 58.9 Ų | 58.9 | 47% | 0.474 | 27% | 0.268 | S | S | . | . | P | Polyproline II helix | trans | -56.2 | 147.8 | 171.6 | -26.8 | 36.6 | 0 | 0 | 0 | 112.5 | S235 | P233-S235 PolarHBondContact O-N 3.2Š|
| 234 | F | 98.7 | Very high | 97.5 | Very high | 7 Ų | 7 | 58.8 Ų | 58.8 | 3% | 0.031 | 28% | 0.275 | C | S | . | . | P | Polyproline II helix | trans | -55.8 | 130.2 | 172.8 | -75.8 | -71.4 | 0 | 0 | 0 | 111.2 | E151 V154 I155 T238 R239 L288 L292 R296 P298 L301 | E151-F234 HydrophobicContact CB-CD1 4.03Å; E151-F234 HydrophobicContact CB-CE1 4.24Å; E151-F234 HydrophobicContact CG-CD1 3.81Å; E151-F234 HydrophobicContact CG-CE1 4.25Å; V154-F234 HydrophobicContact CB-CE1 4.39Å; V154-F234 HydrophobicContact CG1-CE1 3.94Å; V154-F234 HydrophobicContact CG1-CZ 3.65Å; I155-F234 HydrophobicContact CD1-CE1 4.39Å; I155-F234 HydrophobicContact CG1-CE1 4.15Å; F234-T238 HydrophobicContact CD1-CG2 4.07Å; F234-R239 HydrophobicContact CB-CG 4.37Å; F234-L288 HydrophobicContact CE2-CD1 4.48Å; F234-L288 HydrophobicContact CZ-CD1 4.35Å; F234-L292 HydrophobicContact CB-CD2 3.75Å; F234-L292 HydrophobicContact CD1-CD2 4.01Å; F234-L292 HydrophobicContact CD2-CD2 3.55Å; F234-L292 HydrophobicContact CE2-CD2 4.11Å; F234-L292 HydrophobicContact CG-CD2 3.51Å; F234-R296 WeakPolarHBondContact CD2-O 3.43Å; F234-R296 PolarHBondContact N-O 3.42Å; F234-P298 HydrophobicContact CE1-CG 4.01Å; F234-P298 HydrophobicContact CE2-CG 4.44Å; F234-P298 HydrophobicContact CZ-CB 4.47Å; F234-P298 HydrophobicContact CZ-CG 3.94Å; F234-L301 HydrophobicContact CE2-CB 4.48Å; F234-L301 HydrophobicContact CE2-CD2 4.07Å; F234-L301 HydrophobicContact CZ-CD2 3.97Å |
| 235 | S | 98.3 | Very high | 97.6 | Very high | 30 Ų | 30 | 61.4 Ų | 61.4 | 21% | 0.21 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -64.6 | 154.3 | -179.4 | 70.6 | 0 | 0 | 0 | 0 | 113.1 | E151 P233 E237 T238 R239 | E151-S235 PolarHBondContact OE1-N 3.47Å; E151-S235 VanDerWaalsContact OE1-N 3.14Å; E151-S235 VanDerWaalsContact OE2-CB 3.23Å; E151-S235 WeakPolarHBondContact OE2-CB 3.23Å; E151-S235 PolarHBondContact OE2-N 3.22Å; E151-S235 PolarHBondContact OE2-OG 2.87Å; P233-S235 PolarHBondContact O-N 3.2Å; S235-E237 PolarHBondContact O-N 2.95Å; S235-T238 PolarHBondContact O-N 3.21Å; S235-T238 PolarHBondContact OG-N 3.42Å; S235-T238 PolarHBondContact OG-OG1 3.3Å; S235-R239 VanDerWaalsContact O-CG 3.3Å; S235-R239 WeakPolarHBondContact O-CG 3.36Å; S235-R239 PolarHBondContact O-N 3.42Å |
| 236 | E | 98.1 | Very high | 97.6 | Very high | 103 Ų | 103 | 61 Ų | 61 | 48% | 0.481 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -57.3 | -33.8 | 172.7 | -73.7 | -57.6 | 125.1 | 0 | 0 | 113 | R239 K240 | E236-R239 IonicContact OE1-CZ 3.81Å; E236-R239 IonicContact OE1-NH1 3.08Å; E236-R239 PolarHBondContact OE1-NH1 2.96Å; E236-R239 IonicContact OE2-NH1 2.7Å; E236-K240 WeakPolarHBondContact O-CB 3.49Å; E236-K240 VanDerWaalsContact O-CG 3.23Å; E236-K240 WeakPolarHBondContact O-CG 3.34Å; E236-K240 PolarHBondContact O-N 2.85Å |
| 237 | E | 97.8 | Very high | 97.6 | Very high | 58 Ų | 58 | 56.5 Ų | 56.5 | 27% | 0.271 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -61.8 | -50.4 | 176.2 | 177.9 | -89.7 | 171.6 | 0 | 0 | 110.4 | R152 S235 R239 K240 L241 | R152-E237 IonicContact CZ-OE1 3.26Å; R152-E237 IonicContact NE-OE1 3.6Å; R152-E237 IonicContact NH2-OE1 2.95Å; R152-E237 PolarHBondContact NH2-OE1 3.08Å; S235-E237 PolarHBondContact O-N 2.95Å; E237-R239 PolarHBondContact O-N 2.89Å; E237-K240 PolarHBondContact O-N 2.79Å; E237-L241 WeakPolarHBondContact O-CB 3.02Å; E237-L241 PolarHBondContact O-N 3.26Å |
| 238 | T | 98.2 | Very high | 97.6 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -67.4 | -39.3 | -179.6 | -76.4 | 0 | 0 | 0 | 0 | 112 | E151 I155 F234 S235 K240 L241 V242 | E151-T238 HydrophobicContact CB-CG2 4.08Å; E151-T238 VanDerWaalsContact OE2-CB 3.23Å; E151-T238 WeakPolarHBondContact OE2-CB 3.45Å; E151-T238 PolarHBondContact OE2-OG1 3.17Å; I155-T238 HydrophobicContact CD1-CG2 3.28Å; F234-T238 HydrophobicContact CD1-CG2 4.07Å; S235-T238 PolarHBondContact O-N 3.21Å; S235-T238 PolarHBondContact OG-N 3.42Å; S235-T238 PolarHBondContact OG-OG1 3.3Å; T238-K240 PolarHBondContact O-N 2.84Å; T238-L241 PolarHBondContact O-N 3.2Å; T238-V242 PolarHBondContact O-N 3.21Å |
| 239 | R | 98.5 | Very high | 97.4 | Very high | 58 Ų | 58 | 53.8 Ų | 53.8 | 22% | 0.219 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -58.7 | -47.4 | 174 | -66.8 | 172.5 | 76.1 | -156.4 | 4.8 | 111 | F234 S235 E236 E237 L241 L243 L292 K293 | F234-R239 HydrophobicContact CB-CG 4.37Å; S235-R239 VanDerWaalsContact O-CG 3.3Å; S235-R239 WeakPolarHBondContact O-CG 3.36Å; S235-R239 PolarHBondContact O-N 3.42Å; E236-R239 IonicContact OE1-CZ 3.81Å; E236-R239 IonicContact OE1-NH1 3.08Å; E236-R239 PolarHBondContact OE1-NH1 2.96Å; E236-R239 IonicContact OE2-NH1 2.7Å; E237-R239 PolarHBondContact O-N 2.89Å; R239-L241 VanDerWaalsContact C-N 3.34Å; R239-L241 PolarHBondContact O-N 3.4Å; R239-L243 WeakPolarHBondContact O-CB 3.44Å; R239-L243 PolarHBondContact O-N 3.02Å; R239-L292 HydrophobicContact CG-CD2 4.19Å; R239-L292 PolarHBondContact NE-O 3.27Å; R239-L292 PolarHBondContact NH2-O 3.06Å; R239-L292 VanDerWaalsContact NH2-O 3.16Å; R239-K293 PolarHBondContact NH2-O 3.31Å |
| 240 | K | 98.1 | Very high | 97.3 | Very high | 153 Ų | 153 | 56.7 Ų | 56.7 | 67% | 0.665 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -66.6 | -33.3 | 178.5 | -73.2 | 172.6 | -175.3 | 176.9 | 0 | 112.9 | E236 E237 T238 P244 | E236-K240 WeakPolarHBondContact O-CB 3.49Å; E236-K240 VanDerWaalsContact O-CG 3.23Å; E236-K240 WeakPolarHBondContact O-CG 3.34Å; E236-K240 PolarHBondContact O-N 2.85Å; E237-K240 PolarHBondContact O-N 2.79Å; T238-K240 PolarHBondContact O-N 2.84Å; K240-P244 VanDerWaalsContact O-CD 3.32Å; K240-P244 WeakPolarHBondContact O-CD 3.26Å; K240-P244 WeakPolarHBondContact O-CG 3.42Å |
| 241 | L | 98.2 | Very high | 97.2 | Very high | 38 Ų | 38 | 57.9 Ų | 57.9 | 20% | 0.199 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -68.4 | -47 | 177.2 | 178.8 | 64.3 | 0 | 0 | 0 | 111.7 | N60 E237 T238 R239 H245 | N60-L241 HydrophobicContact CB-CD1 4.43Å; E237-L241 WeakPolarHBondContact O-CB 3.02Å; E237-L241 PolarHBondContact O-N 3.26Å; T238-L241 PolarHBondContact O-N 3.2Å; R239-L241 VanDerWaalsContact C-N 3.34Å; R239-L241 PolarHBondContact O-N 3.4Å; L241-H245 PolarHBondContact O-CE1 2.92Å; L241-H245 PolarHBondContact O-ND1 3.11Å |
| 242 | V | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -101.7 | -39.8 | -164.8 | 178.2 | 0 | 0 | 0 | 0 | 113.3 | L61 I155 T238 H245 I246 L292 | L61-V242 HydrophobicContact CD2-CG2 4.01Å; I155-V242 HydrophobicContact CD1-CB 4.1Å; I155-V242 HydrophobicContact CD1-CG1 4.2Å; I155-V242 HydrophobicContact CD1-CG2 3.68Å; I155-V242 HydrophobicContact CG2-CG1 4.07Å; I155-V242 HydrophobicContact CG2-CG2 4.34Å; T238-V242 PolarHBondContact O-N 3.21Å; V242-H245 PolarHBondContact O-N 3.11Å; V242-H245 VanDerWaalsContact O-N 3.08Å; V242-I246 HydrophobicContact CG1-CD1 4Å; V242-I246 HydrophobicContact CG1-CG1 4.18Å; V242-I246 HydrophobicContact CG1-CG2 3.92Å; V242-I246 PolarHBondContact O-N 3.28Å; V242-L292 HydrophobicContact CB-CD1 4.2Å; V242-L292 HydrophobicContact CG1-CD1 4.05Å |
| 243 | L | 97.8 | Very high | 97 | Very high | 32 Ų | 32 | 46.8 Ų | 46.8 | 17% | 0.168 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -58.5 | -42.1 | -171.9 | -171.7 | 62.3 | 0 | 0 | 0 | 114 | R239 H245 I246 D247 L292 K293 | R239-L243 WeakPolarHBondContact O-CB 3.44Å; R239-L243 PolarHBondContact O-N 3.02Å; L243-H245 PolarHBondContact O-N 2.78Å; L243-I246 PolarHBondContact O-N 3.2Å; L243-D247 HydrophobicContact CD1-CB 4.38Å; L243-D247 VanDerWaalsContact O-CB 3.26Å; L243-D247 WeakPolarHBondContact O-CB 3.48Å; L243-D247 PolarHBondContact O-N 2.76Å; L243-L292 HydrophobicContact CD1-CB 4.15Å; L243-K293 HydrophobicContact CD1-CG 3.94Å; L243-K293 HydrophobicContact CD2-CG 3.91Å |
| 244 | P | 97.7 | Very high | 97 | Very high | 86 Ų | 86 | 48.1 Ų | 48.1 | 56% | 0.558 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -59.9 | -28.5 | 178.1 | -25 | 35.8 | 0 | 0 | 0 | 114.1 | K240 | K240-P244 VanDerWaalsContact O-CD 3.32Å; K240-P244 WeakPolarHBondContact O-CD 3.26Å; K240-P244 WeakPolarHBondContact O-CG 3.42Å |
| 245 | H | 97.8 | Very high | 97 | Very high | 55 Ų | 55 | 47.9 Ų | 47.9 | 26% | 0.255 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -81.3 | -50.5 | 179.5 | -59 | 95.3 | 0 | 0 | 0 | 111 | L59 L241 V242 L243 D248 F251 | L59-H245 HydrophobicContact CD2-CB 4.01Å; L241-H245 PolarHBondContact O-CE1 2.92Å; L241-H245 PolarHBondContact O-ND1 3.11Å; V242-H245 PolarHBondContact O-N 3.11Å; V242-H245 VanDerWaalsContact O-N 3.08Å; L243-H245 PolarHBondContact O-N 2.78Å; H245-D248 PolarHBondContact O-N 3.04Å; H245-F251 HydrophobicContact CB-CD1 3.99Å; H245-F251 HydrophobicContact CB-CD2 4.18Å; H245-F251 HydrophobicContact CB-CE1 3.84Å; H245-F251 HydrophobicContact CB-CE2 4.01Å; H245-F251 HydrophobicContact CB-CG 4.17Å; H245-F251 HydrophobicContact CB-CZ 3.84Å; H245-F251 AromaticContact CD2-CE2 3.77Å; H245-F251 WeakPolarHBondContact O-CB 3.44Å; H245-F251 WeakPolarHBondContact O-CD1 3.09Å; H245-F251 WeakPolarHBondContact O-CG 3.47Å |
| 246 | I | 97 | Very high | 97 | Very high | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -81.5 | -18 | -171.3 | 68.1 | 166.5 | 0 | 0 | 0 | 114.3 | L59 I159 V242 L243 D248 I285 L288 C289 L292 | L59-I246 HydrophobicContact CD2-CG2 3.83Å; I159-I246 HydrophobicContact CD1-CG2 4.43Å; V242-I246 HydrophobicContact CG1-CD1 4Å; V242-I246 HydrophobicContact CG1-CG1 4.18Å; V242-I246 HydrophobicContact CG1-CG2 3.92Å; V242-I246 PolarHBondContact O-N 3.28Å; L243-I246 PolarHBondContact O-N 3.2Å; I246-D248 VanDerWaalsContact C-N 3.32Å; I246-I285 HydrophobicContact CB-CG2 4Å; I246-L288 HydrophobicContact CD1-CB 4.23Å; I246-L288 HydrophobicContact CD1-CD2 3.78Å; I246-L288 HydrophobicContact CD1-CG 3.72Å; I246-C289 HydrophobicContact CD1-CB 4.06Å; I246-C289 HydrophobicContact CG1-CB 4.33Å; I246-L292 HydrophobicContact CD1-CD1 3.92Å |
| 247 | D | 95.9 | Very high | 96.9 | Very high | 69 Ų | 69 | 44.8 Ų | 44.8 | 37% | 0.369 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -78 | -21.3 | 171.5 | -160.3 | 33.2 | 0 | 0 | 0 | 112.1 | L243 L249 C289 K293 | L243-D247 HydrophobicContact CD1-CB 4.38Å; L243-D247 VanDerWaalsContact O-CB 3.26Å; L243-D247 WeakPolarHBondContact O-CB 3.48Å; L243-D247 PolarHBondContact O-N 2.76Å; D247-L249 PolarHBondContact O-N 2.66Å; D247-C289 PolarHBondContact OD1-SG 3.4Å; D247-K293 WeakPolarHBondContact OD1-CE 3.38Å; D247-K293 IonicContact OD1-NZ 2.79Å; D247-K293 PolarHBondContact OD1-NZ 2.73Å; D247-K293 VanDerWaalsContact OD2-CE 3.28Å; D247-K293 WeakPolarHBondContact OD2-CE 3.37Å; D247-K293 IonicContact OD2-NZ 2.78Å; D247-K293 PolarHBondContact OD2-NZ 2.97Å |
| 248 | D | 94.8 | Very high | 97 | Very high | 67 Ų | 67 | 43.6 Ų | 43.6 | 36% | 0.358 | 22% | 0.219 | S | C | . | . | trans | -82.1 | 112 | 174.3 | -175.7 | 8.4 | 0 | 0 | 0 | 110.9 | H245 I246 D250 F251 V252 | H245-D248 PolarHBondContact O-N 3.04Å; I246-D248 VanDerWaalsContact C-N 3.32Å; D248-D250 PolarHBondContact O-N 2.79Å; D248-D250 PolarHBondContact OD1-N 2.91Å; D248-F251 HydrophobicContact CB-CB 4.11Å; D248-F251 WeakPolarHBondContact O-CB 3.34Å; D248-F251 PolarHBondContact O-N 3.45Å; D248-V252 WeakPolarHBondContact O-CG2 3.5Å; D248-V252 PolarHBondContact O-N 2.72Å | ||
| 249 | L | 90.9 | Very high | 97 | Very high | 5 Ų | 5 | 43.6 Ų | 43.6 | 3% | 0.026 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.8 | -29.7 | -179.7 | -174.8 | 52.6 | 0 | 0 | 0 | 112.2 | D247 V252 M253 T322 R323 W324 F327 | D247-L249 PolarHBondContact O-N 2.66Å; L249-V252 HydrophobicContact CD1-CB 4.44Å; L249-V252 PolarHBondContact O-N 3.06Å; L249-M253 HydrophobicContact CD1-CG 4.15Å; L249-M253 HydrophobicContact CG-CG 4.33Å; L249-M253 WeakPolarHBondContact O-CB 3.38Å; L249-M253 WeakPolarHBondContact O-CG 3.46Å; L249-M253 PolarHBondContact O-N 2.85Å; L249-T322 WeakPolarHBondContact CB-O 3.36Å; L249-T322 VanDerWaalsContact CD2-C 3.42Å; L249-T322 HydrophobicContact CD2-CG2 4.19Å; L249-T322 WeakPolarHBondContact CD2-O 3.22Å; L249-R323 VanDerWaalsContact CD2-C 3.42Å; L249-W324 HydrophobicContact CD1-CD2 4.02Å; L249-W324 HydrophobicContact CD1-CE3 4.1Å; L249-W324 HydrophobicContact CD1-CH2 4.05Å; L249-W324 HydrophobicContact CD1-CZ2 3.94Å; L249-W324 HydrophobicContact CD1-CZ3 4.11Å; L249-F327 HydrophobicContact CD1-CE2 4.02Å; L249-F327 HydrophobicContact CD1-CZ 4.16Å; L249-F327 HydrophobicContact CD2-CD2 4.22Å; L249-F327 HydrophobicContact CD2-CE2 3.5Å; L249-F327 HydrophobicContact CD2-CZ 4.33Å; L249-F327 HydrophobicContact CG-CE2 4.25Å |
| 250 | D | 94.3 | Very high | 97 | Very high | 80 Ų | 80 | 45.2 Ų | 45.2 | 43% | 0.428 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -68.1 | -39.6 | 178.8 | -66.6 | -23.6 | 0 | 0 | 0 | 110.4 | D248 M253 E254 T322 | D248-D250 PolarHBondContact O-N 2.79Å; D248-D250 PolarHBondContact OD1-N 2.91Å; D250-M253 PolarHBondContact O-N 3.4Å; D250-E254 WeakPolarHBondContact O-CB 3.46Å; D250-E254 PolarHBondContact O-N 3.46Å; D250-T322 PolarHBondContact OD1-OG1 3.28Å |
| 251 | F | 97.4 | Very high | 97 | Very high | 25 Ų | 25 | 45.2 Ų | 45.2 | 11% | 0.11 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.8 | -46.1 | 171.2 | 173.5 | -86.8 | 0 | 0 | 0 | 112.2 | K58 L59 H245 D248 M253 E254 L255 | K58-F251 HydrophobicContact CB-CZ 4.35Å; K58-F251 HydrophobicContact CD-CE2 4.13Å; K58-F251 HydrophobicContact CD-CZ 4.02Å; K58-F251 HydrophobicContact CG-CE2 3.79Å; K58-F251 HydrophobicContact CG-CZ 3.79Å; K58-F251 WeakPolarHBondContact O-CZ 3.46Å; L59-F251 HydrophobicContact CD2-CE1 3.75Å; L59-F251 HydrophobicContact CD2-CZ 3.7Å; L59-F251 HydrophobicContact CG-CZ 4.28Å; H245-F251 HydrophobicContact CB-CD1 3.99Å; H245-F251 HydrophobicContact CB-CD2 4.18Å; H245-F251 HydrophobicContact CB-CE1 3.84Å; H245-F251 HydrophobicContact CB-CE2 4.01Å; H245-F251 HydrophobicContact CB-CG 4.17Å; H245-F251 HydrophobicContact CB-CZ 3.84Å; H245-F251 AromaticContact CD2-CE2 3.77Å; H245-F251 WeakPolarHBondContact O-CB 3.44Å; H245-F251 WeakPolarHBondContact O-CD1 3.09Å; H245-F251 WeakPolarHBondContact O-CG 3.47Å; D248-F251 HydrophobicContact CB-CB 4.11Å; D248-F251 WeakPolarHBondContact O-CB 3.34Å; D248-F251 PolarHBondContact O-N 3.45Å; F251-M253 VanDerWaalsContact C-N 3.29Å; F251-M253 PolarHBondContact O-N 3.49Å; F251-E254 PolarHBondContact O-N 3.17Å; F251-L255 WeakPolarHBondContact O-CB 3.27Å; F251-L255 PolarHBondContact O-N 3.44Å |
| 252 | V | 96.8 | Very high | 97 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.2 | -38.5 | 179.8 | 174.5 | 0 | 0 | 0 | 0 | 111.2 | D248 L249 L255 C256 R282 I285 W324 | D248-V252 WeakPolarHBondContact O-CG2 3.5Å; D248-V252 PolarHBondContact O-N 2.72Å; L249-V252 HydrophobicContact CD1-CB 4.44Å; L249-V252 PolarHBondContact O-N 3.06Å; V252-L255 PolarHBondContact O-N 3.45Å; V252-C256 PolarHBondContact O-N 3.3Å; V252-C256 PolarHBondContact O-SG 2.67Å; V252-R282 HydrophobicContact CG1-CG 4.11Å; V252-I285 HydrophobicContact CG1-CD1 3.89Å; V252-I285 HydrophobicContact CG2-CD1 4.3Å; V252-I285 HydrophobicContact CG2-CG2 3.92Å; V252-W324 HydrophobicContact CG1-CH2 4.05Å; V252-W324 HydrophobicContact CG2-CH2 4.38Å; V252-W324 HydrophobicContact CG2-CZ2 4.13Å |
| 253 | M | 94.9 | Very high | 97 | Very high | 42 Ų | 42 | 44.9 Ų | 44.9 | 21% | 0.207 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -69.9 | -41.9 | 177.7 | -72.7 | -64 | -60.2 | 0 | 0 | 111.9 | L249 D250 F251 L255 C256 D257 K311 F327 | L249-M253 HydrophobicContact CD1-CG 4.15Å; L249-M253 HydrophobicContact CG-CG 4.33Å; L249-M253 WeakPolarHBondContact O-CB 3.38Å; L249-M253 WeakPolarHBondContact O-CG 3.46Å; L249-M253 PolarHBondContact O-N 2.85Å; D250-M253 PolarHBondContact O-N 3.4Å; F251-M253 VanDerWaalsContact C-N 3.29Å; F251-M253 PolarHBondContact O-N 3.49Å; M253-L255 VanDerWaalsContact C-N 3.31Å; M253-L255 PolarHBondContact O-N 3.34Å; M253-C256 WeakPolarHBondContact O-CB 3.36Å; M253-C256 PolarHBondContact O-N 3.04Å; M253-C256 VanDerWaalsContact O-N 3.15Å; M253-D257 PolarHBondContact O-N 3.3Å; M253-K311 VanDerWaalsContact CE-CE 3.45Å; M253-F327 HydrophobicContact SD-CE1 4.2Å; M253-F327 HydrophobicContact SD-CZ 3.79Å |
| 254 | E | 97.6 | Very high | 96.9 | Very high | 101 Ų | 101 | 47.3 Ų | 47.3 | 47% | 0.472 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -62.4 | -39.1 | 173.3 | -165.6 | -167.7 | -158.7 | 0 | 0 | 111.6 | K58 D250 F251 C256 D257 D258 | K58-E254 IonicContact NZ-OE1 2.6Å; K58-E254 IonicContact NZ-OE2 3.94Å; K58-E254 PolarHBondContact NZ-OE2 2.9Å; D250-E254 WeakPolarHBondContact O-CB 3.46Å; D250-E254 PolarHBondContact O-N 3.46Å; F251-E254 PolarHBondContact O-N 3.17Å; E254-C256 VanDerWaalsContact C-N 3.33Å; E254-C256 PolarHBondContact O-N 2.97Å; E254-D257 PolarHBondContact O-N 2.76Å; E254-D257 VanDerWaalsContact O-N 3.16Å; E254-D258 VanDerWaalsContact O-CG 3.28Å; E254-D258 PolarHBondContact O-N 3.01Å |
| 255 | L | 98.3 | Very high | 96.8 | Very high | 2 Ų | 2 | 46.8 Ų | 46.8 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.4 | -42.5 | 173.2 | 175.6 | 58.5 | 0 | 0 | 0 | 111.5 | L54 V55 K58 F251 V252 M253 D257 D258 L259 M281 | L54-L255 HydrophobicContact CD2-CD1 3.59Å; V55-L255 HydrophobicContact CG2-CD1 4.03Å; V55-L255 HydrophobicContact CG2-CD2 4.5Å; K58-L255 HydrophobicContact CB-CD1 4.38Å; K58-L255 HydrophobicContact CD-CB 3.7Å; K58-L255 HydrophobicContact CD-CD1 3.56Å; K58-L255 HydrophobicContact CD-CG 4.14Å; F251-L255 WeakPolarHBondContact O-CB 3.27Å; F251-L255 PolarHBondContact O-N 3.44Å; V252-L255 PolarHBondContact O-N 3.45Å; M253-L255 VanDerWaalsContact C-N 3.31Å; M253-L255 PolarHBondContact O-N 3.34Å; L255-D257 VanDerWaalsContact C-N 3.3Å; L255-D257 PolarHBondContact O-N 3.41Å; L255-D258 PolarHBondContact O-N 3.16Å; L255-L259 HydrophobicContact CD1-CD1 4.15Å; L255-L259 HydrophobicContact CD1-CG 4.19Å; L255-L259 HydrophobicContact CG-CD1 4.15Å; L255-L259 WeakPolarHBondContact O-CB 3.5Å; L255-L259 VanDerWaalsContact O-CG 3.29Å; L255-L259 WeakPolarHBondContact O-CG 3.48Å; L255-L259 PolarHBondContact O-N 3.15Å; L255-M281 HydrophobicContact CD2-CE 4.04Å; L255-M281 HydrophobicContact CD2-SD 4.41Å; L255-M281 HydrophobicContact CG-CE 4.14Å |
| 256 | C | 97.8 | Very high | 96.5 | Very high | 2 Ų | 2 | 44.6 Ų | 44.6 | 1% | 0.014 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.3 | -40.6 | 174.9 | -65.8 | 0 | 0 | 0 | 0 | 111.4 | V252 M253 E254 L259 R260 M278 M281 | V252-C256 PolarHBondContact O-N 3.3Å; V252-C256 PolarHBondContact O-SG 2.67Å; M253-C256 WeakPolarHBondContact O-CB 3.36Å; M253-C256 PolarHBondContact O-N 3.04Å; M253-C256 VanDerWaalsContact O-N 3.15Å; E254-C256 VanDerWaalsContact C-N 3.33Å; E254-C256 PolarHBondContact O-N 2.97Å; C256-L259 PolarHBondContact O-N 3.05Å; C256-R260 WeakPolarHBondContact O-CB 3.47Å; C256-R260 PolarHBondContact O-N 3.46Å; C256-M278 HydrophobicContact CB-CG 4.44Å; C256-M278 HydrophobicContact CB-SD 4.11Å; C256-M281 VanDerWaalsContact SG-CE 3.6Å |
| 257 | D | 97.8 | Very high | 96.2 | Very high | 66 Ų | 66 | 53.8 Ų | 53.8 | 35% | 0.353 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -68.6 | -38.9 | 178.5 | -70.8 | -18.3 | 0 | 0 | 0 | 112.1 | M253 E254 L255 R260 R261 | M253-D257 PolarHBondContact O-N 3.3Å; E254-D257 PolarHBondContact O-N 2.76Å; E254-D257 VanDerWaalsContact O-N 3.16Å; L255-D257 VanDerWaalsContact C-N 3.3Å; L255-D257 PolarHBondContact O-N 3.41Å; D257-R260 WeakPolarHBondContact O-CB 3.46Å; D257-R260 PolarHBondContact O-N 3.12Å; D257-R261 WeakPolarHBondContact O-CG 3.42Å; D257-R261 PolarHBondContact O-N 2.93Å |
| 258 | D | 98.6 | Very high | 95.8 | Very high | 34 Ų | 34 | 52.9 Ų | 52.9 | 18% | 0.182 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.5 | -44.8 | 173.9 | -69.3 | -24.7 | 0 | 0 | 0 | 111.5 | L54 K58 E254 L255 R260 R261 L262 | L54-D258 HydrophobicContact CD1-CB 4.21Å; L54-D258 HydrophobicContact CD2-CB 3.93Å; K58-D258 IonicContact NZ-OD2 3.68Å; K58-D258 PolarHBondContact NZ-OD2 3.2Å; E254-D258 VanDerWaalsContact O-CG 3.28Å; E254-D258 PolarHBondContact O-N 3.01Å; L255-D258 PolarHBondContact O-N 3.16Å; D258-R260 VanDerWaalsContact C-N 3.33Å; D258-R260 PolarHBondContact O-N 2.55Å; D258-R261 PolarHBondContact O-N 3.31Å; D258-R261 IonicContact OD1-CZ 3.28Å; D258-R261 IonicContact OD1-NH1 3.84Å; D258-R261 PolarHBondContact OD1-NH1 3.35Å; D258-L262 PolarHBondContact O-N 3.15Å |
| 259 | L | 98.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63 | -39.5 | 173.6 | -70.7 | 170.9 | 0 | 0 | 0 | 111.4 | A51 L54 V55 F209 L255 C256 R261 L262 F263 F274 M278 M281 | A51-L259 HydrophobicContact CB-CD2 3.7Å; L54-L259 HydrophobicContact CD2-CD2 4.11Å; L54-L259 HydrophobicContact CD2-CG 4.3Å; V55-L259 HydrophobicContact CG2-CD1 4.45Å; V55-L259 HydrophobicContact CG2-CD2 4.36Å; F209-L259 HydrophobicContact CE1-CD1 4.1Å; F209-L259 HydrophobicContact CE1-CD2 4.26Å; F209-L259 HydrophobicContact CZ-CD2 4.35Å; L255-L259 HydrophobicContact CD1-CD1 4.15Å; L255-L259 HydrophobicContact CD1-CG 4.19Å; L255-L259 HydrophobicContact CG-CD1 4.15Å; L255-L259 WeakPolarHBondContact O-CB 3.5Å; L255-L259 VanDerWaalsContact O-CG 3.29Å; L255-L259 WeakPolarHBondContact O-CG 3.48Å; L255-L259 PolarHBondContact O-N 3.15Å; C256-L259 PolarHBondContact O-N 3.05Å; L259-R261 PolarHBondContact O-N 3.2Å; L259-L262 WeakPolarHBondContact O-CB 3.29Å; L259-L262 PolarHBondContact O-N 2.94Å; L259-F263 HydrophobicContact CD2-CE2 4.2Å; L259-F263 WeakPolarHBondContact O-CD2 3.5Å; L259-F263 PolarHBondContact O-N 2.74Å; L259-F274 HydrophobicContact CB-CE2 4.3Å; L259-F274 HydrophobicContact CB-CZ 4.41Å; L259-M278 HydrophobicContact CB-SD 4.29Å; L259-M278 HydrophobicContact CD1-CE 3.95Å; L259-M278 HydrophobicContact CD1-SD 3.87Å; L259-M281 HydrophobicContact CD1-CE 3.86Å; L259-M281 HydrophobicContact CD1-SD 3.54Å; L259-M281 VanDerWaalsContact CD1-SD 3.54Å |
| 260 | R | 98.1 | Very high | 95.8 | Very high | 91 Ų | 91 | 55.3 Ų | 55.3 | 34% | 0.343 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -58.8 | -49.6 | 176.6 | -175.8 | 178.1 | 169.4 | 178.7 | -2 | 111.3 | C256 D257 D258 L262 F263 E264 F274 | C256-R260 WeakPolarHBondContact O-CB 3.47Å; C256-R260 PolarHBondContact O-N 3.46Å; D257-R260 WeakPolarHBondContact O-CB 3.46Å; D257-R260 PolarHBondContact O-N 3.12Å; D258-R260 VanDerWaalsContact C-N 3.33Å; D258-R260 PolarHBondContact O-N 2.55Å; R260-L262 PolarHBondContact O-N 3.31Å; R260-F263 PolarHBondContact O-N 3.4Å; R260-F263 VanDerWaalsContact O-N 3.16Å; R260-E264 HydrophobicContact CG-CG 4.16Å; R260-E264 IonicContact CZ-OE1 3.33Å; R260-E264 IonicContact NE-OE1 2.73Å; R260-E264 PolarHBondContact NE-OE1 3.48Å; R260-E264 IonicContact NH2-OE1 3.02Å; R260-E264 PolarHBondContact NH2-OE1 2.93Å; R260-E264 WeakPolarHBondContact O-CB 3.29Å; R260-E264 WeakPolarHBondContact O-CG 3.13Å; R260-E264 PolarHBondContact O-N 3.42Å; R260-F274 HydrophobicContact CB-CE1 3.66Å; R260-F274 HydrophobicContact CB-CE2 4.3Å; R260-F274 HydrophobicContact CB-CZ 3.48Å; R260-F274 VanDerWaalsContact CB-CZ 3.48Å; R260-F274 HydrophobicContact CG-CD1 4.45Å; R260-F274 HydrophobicContact CG-CE1 3.89Å; R260-F274 HydrophobicContact CG-CZ 4.14Å |
| 261 | R | 98.4 | Very high | 95.8 | Very high | 153 Ų | 153 | 56.1 Ų | 56.1 | 58% | 0.577 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -57.9 | -35.5 | 178 | -67.1 | -177.7 | -150.8 | 119.4 | 7.1 | 112 | D257 D258 L259 | D257-R261 WeakPolarHBondContact O-CG 3.42Å; D257-R261 PolarHBondContact O-N 2.93Å; D258-R261 PolarHBondContact O-N 3.31Å; D258-R261 IonicContact OD1-CZ 3.28Å; D258-R261 IonicContact OD1-NH1 3.84Å; D258-R261 PolarHBondContact OD1-NH1 3.35Å; L259-R261 PolarHBondContact O-N 3.2Å |
| 262 | L | 98.3 | Very high | 95.6 | Very high | 29 Ų | 29 | 60.7 Ų | 60.7 | 15% | 0.152 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -70 | -48.9 | 175.1 | 175 | 62.4 | 0 | 0 | 0 | 112 | L47 A50 A51 L54 V69 D258 L259 R260 T265 | L47-L262 HydrophobicContact CD2-CD1 4.18Å; L47-L262 HydrophobicContact CD2-CG 4.24Å; A50-L262 HydrophobicContact CB-CD1 4.23Å; A50-L262 HydrophobicContact CB-CD2 4.03Å; A51-L262 HydrophobicContact CB-CD2 3.81Å; L54-L262 HydrophobicContact CD1-CD2 4.33Å; V69-L262 HydrophobicContact CG2-CD1 3.77Å; D258-L262 PolarHBondContact O-N 3.15Å; L259-L262 WeakPolarHBondContact O-CB 3.29Å; L259-L262 PolarHBondContact O-N 2.94Å; R260-L262 PolarHBondContact O-N 3.31Å; L262-T265 WeakPolarHBondContact O-CB 3.21Å; L262-T265 WeakPolarHBondContact O-CG2 3.39Å; L262-T265 PolarHBondContact O-N 2.93Å; L262-T265 PolarHBondContact O-OG1 2.95Å |
| 263 | F | 97.4 | Very high | 95.5 | Very high | 2 Ų | 2 | 62.3 Ų | 62.3 | 1% | 0.009 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -71.4 | -31.8 | -174.4 | -80.1 | -124.1 | 0 | 0 | 0 | 112.3 | L47 A51 F209 L259 R260 T265 D266 F269 F274 | L47-F263 HydrophobicContact CD1-CB 4.43Å; L47-F263 HydrophobicContact CD1-CD1 4.27Å; L47-F263 HydrophobicContact CD1-CG 4.25Å; A51-F263 HydrophobicContact CB-CE2 3.62Å; A51-F263 HydrophobicContact CB-CZ 4.1Å; F209-F263 HydrophobicContact CB-CZ 4.32Å; F209-F263 HydrophobicContact CD2-CZ 4.36Å; F209-F263 HydrophobicContact CG-CZ 4.15Å; L259-F263 HydrophobicContact CD2-CE2 4.2Å; L259-F263 WeakPolarHBondContact O-CD2 3.5Å; L259-F263 PolarHBondContact O-N 2.74Å; R260-F263 PolarHBondContact O-N 3.4Å; R260-F263 VanDerWaalsContact O-N 3.16Å; F263-T265 PolarHBondContact O-N 3.33Å; F263-T265 VanDerWaalsContact O-N 3.12Å; F263-D266 WeakPolarHBondContact O-CB 3.46Å; F263-D266 PolarHBondContact O-N 3.27Å; F263-D266 VanDerWaalsContact O-N 3.08Å; F263-F269 VanDerWaalsContact C-CD2 3.45Å; F263-F269 HydrophobicContact CB-CD2 3.85Å; F263-F269 HydrophobicContact CB-CE2 3.75Å; F263-F269 WeakPolarHBondContact O-CD2 3.47Å; F263-F274 HydrophobicContact CB-CD2 4.01Å; F263-F274 HydrophobicContact CB-CE2 4.2Å; F263-F274 HydrophobicContact CD1-CD2 4.06Å; F263-F274 HydrophobicContact CD1-CE2 4.48Å; F263-F274 HydrophobicContact CD2-CE2 4.47Å; F263-F274 HydrophobicContact CG-CD2 4.07Å; F263-F274 HydrophobicContact CG-CE2 4.15Å |
| 264 | E | 96.7 | Very high | 95.6 | Very high | 84 Ų | 84 | 60.5 Ų | 60.5 | 39% | 0.393 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -14.2 | 174.2 | -78.3 | -179.4 | 168.6 | 0 | 0 | 113.4 | R260 D266 F269 | R260-E264 HydrophobicContact CG-CG 4.16Å; R260-E264 IonicContact CZ-OE1 3.33Å; R260-E264 IonicContact NE-OE1 2.73Å; R260-E264 PolarHBondContact NE-OE1 3.48Å; R260-E264 IonicContact NH2-OE1 3.02Å; R260-E264 PolarHBondContact NH2-OE1 2.93Å; R260-E264 WeakPolarHBondContact O-CB 3.29Å; R260-E264 WeakPolarHBondContact O-CG 3.13Å; R260-E264 PolarHBondContact O-N 3.42Å; E264-D266 PolarHBondContact O-N 3.09Å; E264-F269 HydrophobicContact CG-CD1 3.88Å; E264-F269 HydrophobicContact CG-CD2 4.37Å; E264-F269 HydrophobicContact CG-CE1 3.57Å; E264-F269 HydrophobicContact CG-CE2 4.09Å; E264-F269 HydrophobicContact CG-CG 4.27Å; E264-F269 HydrophobicContact CG-CZ 3.68Å |
| 265 | T | 95.1 | Very high | 95.5 | Very high | 74 Ų | 74 | 57.6 Ų | 57.6 | 45% | 0.454 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -15.8 | 173.4 | 69.1 | 0 | 0 | 0 | 0 | 113.3 | L262 F263 | L262-T265 WeakPolarHBondContact O-CB 3.21Å; L262-T265 WeakPolarHBondContact O-CG2 3.39Å; L262-T265 PolarHBondContact O-N 2.93Å; L262-T265 PolarHBondContact O-OG1 2.95Å; F263-T265 PolarHBondContact O-N 3.33Å; F263-T265 VanDerWaalsContact O-N 3.12Å |
| 266 | D | 92.8 | Very high | 95.4 | Very high | 9 Ų | 9 | 63.6 Ų | 63.6 | 5% | 0.048 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -81.5 | 131.4 | 177.3 | -157.9 | -81.7 | 0 | 0 | 0 | 112 | K10 Y46 L47 F263 E264 G268 F269 | K10-D266 VanDerWaalsContact CE-OD2 3.26Å; K10-D266 WeakPolarHBondContact CE-OD2 3.18Å; K10-D266 IonicContact NZ-OD1 3.92Å; K10-D266 PolarHBondContact NZ-OD1 3.45Å; K10-D266 IonicContact NZ-OD2 2.78Å; K10-D266 PolarHBondContact NZ-OD2 2.89Å; Y46-D266 VanDerWaalsContact CE1-OD2 3.29Å; Y46-D266 WeakPolarHBondContact CE1-OD2 3.49Å; Y46-D266 PolarHBondContact OH-OD2 2.65Å; L47-D266 HydrophobicContact CD1-CB 3.72Å; F263-D266 WeakPolarHBondContact O-CB 3.46Å; F263-D266 PolarHBondContact O-N 3.27Å; F263-D266 VanDerWaalsContact O-N 3.08Å; E264-D266 PolarHBondContact O-N 3.09Å; D266-G268 PolarHBondContact O-N 3.41Å; D266-G268 WeakPolarHBondContact OD1-CA 3.38Å; D266-G268 PolarHBondContact OD1-N 3.04Å; D266-F269 HydrophobicContact CB-CB 4.5Å; D266-F269 WeakPolarHBondContact O-CB 3.36Å; D266-F269 PolarHBondContact O-N 3.21Å |
| 267 | Q | 89.6 | Confident | 95.4 | Very high | 195 Ų | 195 | 63.7 Ų | 63.7 | 91% | 0.911 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -23.2 | 175.6 | -68.4 | -178 | -15.9 | 0 | 0 | 113.9 | ||
| 268 | G | 87.5 | Confident | 95.4 | Very high | 50 Ų | 50 | 60.6 Ų | 60.6 | 52% | 0.515 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | 21.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112.8 | D266 D270 | D266-G268 PolarHBondContact O-N 3.41Å; D266-G268 WeakPolarHBondContact OD1-CA 3.38Å; D266-G268 PolarHBondContact OD1-N 3.04Å; G268-D270 PolarHBondContact O-N 2.98Å |
| 269 | F | 92.7 | Very high | 95.3 | Very high | 49 Ų | 49 | 59.1 Ų | 59.1 | 22% | 0.215 | 28% | 0.284 | C | S | . | . | trans | -60.6 | 128.9 | 174.3 | 177.8 | -102 | 0 | 0 | 0 | 110.7 | F263 E264 D266 F271 F274 | F263-F269 VanDerWaalsContact C-CD2 3.45Å; F263-F269 HydrophobicContact CB-CD2 3.85Å; F263-F269 HydrophobicContact CB-CE2 3.75Å; F263-F269 WeakPolarHBondContact O-CD2 3.47Å; E264-F269 HydrophobicContact CG-CD1 3.88Å; E264-F269 HydrophobicContact CG-CD2 4.37Å; E264-F269 HydrophobicContact CG-CE1 3.57Å; E264-F269 HydrophobicContact CG-CE2 4.09Å; E264-F269 HydrophobicContact CG-CG 4.27Å; E264-F269 HydrophobicContact CG-CZ 3.68Å; D266-F269 HydrophobicContact CB-CB 4.5Å; D266-F269 WeakPolarHBondContact O-CB 3.36Å; D266-F269 PolarHBondContact O-N 3.21Å; F269-F271 HydrophobicContact CE1-CB 4.04Å; F269-F271 HydrophobicContact CE1-CD2 4.32Å; F269-F271 HydrophobicContact CZ-CB 4.49Å; F269-F271 HydrophobicContact CZ-CD2 4.32Å; F269-F274 HydrophobicContact CE2-CB 3.58Å; F269-F274 HydrophobicContact CE2-CD1 4.47Å; F269-F274 AromaticContact CE2-CD2 3.93Å; F269-F274 HydrophobicContact CE2-CD2 3.93Å; F269-F274 AromaticContact CE2-CG 3.72Å; F269-F274 HydrophobicContact CE2-CG 3.72Å; F269-F274 HydrophobicContact CZ-CB 3.76Å; F269-F274 HydrophobicContact CZ-CD1 4.25Å; F269-F274 HydrophobicContact CZ-CD2 4.5Å; F269-F274 AromaticContact CZ-CG 3.9Å; F269-F274 HydrophobicContact CZ-CG 3.9Å | ||
| 270 | D | 93 | Very high | 95.2 | Very high | 74 Ų | 74 | 59.2 Ų | 59.2 | 40% | 0.396 | 28% | 0.284 | S | S | . | . | trans | -121.8 | 116.3 | 173.9 | 174.4 | -111.3 | 0 | 0 | 0 | 108.9 | G268 Q272 T273 F274 | G268-D270 PolarHBondContact O-N 2.98Å; D270-Q272 VanDerWaalsContact C-N 3.29Å; D270-Q272 PolarHBondContact O-N 3.24Å; D270-T273 PolarHBondContact O-N 3.12Å; D270-T273 WeakPolarHBondContact OD1-CB 3.47Å; D270-T273 PolarHBondContact OD1-N 2.92Å; D270-T273 PolarHBondContact OD1-OG1 3.29Å; D270-F274 PolarHBondContact O-N 3.35Å | ||
| 271 | F | 94.4 | Very high | 95.2 | Very high | 96 Ų | 96 | 55.1 Ų | 55.1 | 42% | 0.421 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.5 | -36.4 | -174.6 | -179.6 | -100.8 | 0 | 0 | 0 | 112.2 | F269 F274 E275 | F269-F271 HydrophobicContact CE1-CB 4.04Å; F269-F271 HydrophobicContact CE1-CD2 4.32Å; F269-F271 HydrophobicContact CZ-CB 4.49Å; F269-F271 HydrophobicContact CZ-CD2 4.32Å; F271-F274 PolarHBondContact O-N 3.33Å; F271-E275 HydrophobicContact CD1-CG 4.29Å; F271-E275 HydrophobicContact CE1-CG 3.7Å; F271-E275 HydrophobicContact CE2-CG 4.1Å; F271-E275 HydrophobicContact CZ-CG 3.59Å; F271-E275 PolarHBondContact O-N 3.37Å |
| 272 | Q | 93.9 | Very high | 95.2 | Very high | 121 Ų | 121 | 47.9 Ų | 47.9 | 57% | 0.565 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -68.3 | -42.5 | -179.6 | -170.6 | 176.8 | 18.9 | 0 | 0 | 111.7 | D270 F274 E275 R276 | D270-Q272 VanDerWaalsContact C-N 3.29Å; D270-Q272 PolarHBondContact O-N 3.24Å; Q272-F274 VanDerWaalsContact C-N 3.34Å; Q272-E275 PolarHBondContact O-N 3.07Å; Q272-R276 WeakPolarHBondContact O-CG 3.38Å; Q272-R276 PolarHBondContact O-N 3.47Å; Q272-R276 VanDerWaalsContact O-N 3.16Å |
| 273 | T | 93.7 | Very high | 95.1 | Very high | 35 Ų | 35 | 46.5 Ų | 46.5 | 22% | 0.215 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.4 | -43.4 | 173.5 | -60.4 | 0 | 0 | 0 | 0 | 110.6 | P41 F211 D270 R276 Q277 | P41-T273 HydrophobicContact CB-CG2 4.26Å; F211-T273 HydrophobicContact CB-CG2 3.97Å; F211-T273 HydrophobicContact CD1-CG2 4.11Å; F211-T273 HydrophobicContact CG-CG2 4.23Å; D270-T273 PolarHBondContact O-N 3.12Å; D270-T273 WeakPolarHBondContact OD1-CB 3.47Å; D270-T273 PolarHBondContact OD1-N 2.92Å; D270-T273 PolarHBondContact OD1-OG1 3.29Å; T273-R276 WeakPolarHBondContact O-CB 3.4Å; T273-R276 PolarHBondContact O-N 3.28Å; T273-Q277 WeakPolarHBondContact O-CG 3.49Å; T273-Q277 PolarHBondContact O-N 3.47Å |
| 274 | F | 96.3 | Very high | 95.1 | Very high | 3 Ų | 3 | 46.7 Ų | 46.7 | 1% | 0.013 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.6 | -48 | 176.3 | 176 | -97.8 | 0 | 0 | 0 | 112.6 | L259 R260 F263 F269 D270 F271 Q272 R276 Q277 M278 | L259-F274 HydrophobicContact CB-CE2 4.3Å; L259-F274 HydrophobicContact CB-CZ 4.41Å; R260-F274 HydrophobicContact CB-CE1 3.66Å; R260-F274 HydrophobicContact CB-CE2 4.3Å; R260-F274 HydrophobicContact CB-CZ 3.48Å; R260-F274 VanDerWaalsContact CB-CZ 3.48Å; R260-F274 HydrophobicContact CG-CD1 4.45Å; R260-F274 HydrophobicContact CG-CE1 3.89Å; R260-F274 HydrophobicContact CG-CZ 4.14Å; F263-F274 HydrophobicContact CB-CD2 4.01Å; F263-F274 HydrophobicContact CB-CE2 4.2Å; F263-F274 HydrophobicContact CD1-CD2 4.06Å; F263-F274 HydrophobicContact CD1-CE2 4.48Å; F263-F274 HydrophobicContact CD2-CE2 4.47Å; F263-F274 HydrophobicContact CG-CD2 4.07Å; F263-F274 HydrophobicContact CG-CE2 4.15Å; F269-F274 HydrophobicContact CE2-CB 3.58Å; F269-F274 HydrophobicContact CE2-CD1 4.47Å; F269-F274 AromaticContact CE2-CD2 3.93Å; F269-F274 HydrophobicContact CE2-CD2 3.93Å; F269-F274 AromaticContact CE2-CG 3.72Å; F269-F274 HydrophobicContact CE2-CG 3.72Å; F269-F274 HydrophobicContact CZ-CB 3.76Å; F269-F274 HydrophobicContact CZ-CD1 4.25Å; F269-F274 HydrophobicContact CZ-CD2 4.5Å; F269-F274 AromaticContact CZ-CG 3.9Å; F269-F274 HydrophobicContact CZ-CG 3.9Å; D270-F274 PolarHBondContact O-N 3.35Å; F271-F274 PolarHBondContact O-N 3.33Å; Q272-F274 VanDerWaalsContact C-N 3.34Å; F274-R276 PolarHBondContact O-N 2.93Å; F274-Q277 WeakPolarHBondContact O-CB 3.41Å; F274-Q277 PolarHBondContact O-N 3.13Å; F274-M278 HydrophobicContact CD1-CG 4.19Å; F274-M278 HydrophobicContact CD2-CG 4.47Å; F274-M278 HydrophobicContact CE1-CG 3.6Å; F274-M278 HydrophobicContact CE1-SD 4.48Å; F274-M278 HydrophobicContact CE2-CE 3.95Å; F274-M278 HydrophobicContact CE2-CG 3.93Å; F274-M278 HydrophobicContact CE2-SD 4.02Å; F274-M278 HydrophobicContact CZ-CE 4.29Å; F274-M278 HydrophobicContact CZ-CG 3.44Å; F274-M278 VanDerWaalsContact CZ-CG 3.44Å; F274-M278 HydrophobicContact CZ-SD 3.74Å; F274-M278 WeakPolarHBondContact O-CG 3.23Å; F274-M278 PolarHBondContact O-N 3.39Å |
| 275 | E | 96.2 | Very high | 95.2 | Very high | 41 Ų | 41 | 42.7 Ų | 42.7 | 19% | 0.192 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.3 | -34.3 | 178 | -79.6 | -62.7 | 151.1 | 0 | 0 | 112.3 | F271 Q272 M278 A279 R282 K311 | F271-E275 HydrophobicContact CD1-CG 4.29Å; F271-E275 HydrophobicContact CE1-CG 3.7Å; F271-E275 HydrophobicContact CE2-CG 4.1Å; F271-E275 HydrophobicContact CZ-CG 3.59Å; F271-E275 PolarHBondContact O-N 3.37Å; Q272-E275 PolarHBondContact O-N 3.07Å; E275-M278 PolarHBondContact O-N 2.98Å; E275-A279 WeakPolarHBondContact O-CB 3.17Å; E275-A279 PolarHBondContact O-N 2.98Å; E275-R282 IonicContact OE2-NH2 3.97Å; E275-K311 IonicContact OE1-NZ 3.83Å |
| 276 | R | 96.4 | Very high | 95.2 | Very high | 127 Ų | 127 | 40.8 Ų | 40.8 | 48% | 0.479 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -67.4 | -40.5 | 172.4 | -71.3 | 178.4 | 178.8 | 174.4 | 2.5 | 112.6 | F211 Q272 T273 F274 M278 A279 V280 | F211-R276 HydrophobicContact CB-CB 4.04Å; F211-R276 WeakPolarHBondContact O-CB 3.34Å; Q272-R276 WeakPolarHBondContact O-CG 3.38Å; Q272-R276 PolarHBondContact O-N 3.47Å; Q272-R276 VanDerWaalsContact O-N 3.16Å; T273-R276 WeakPolarHBondContact O-CB 3.4Å; T273-R276 PolarHBondContact O-N 3.28Å; F274-R276 PolarHBondContact O-N 2.93Å; R276-M278 VanDerWaalsContact C-N 3.33Å; R276-M278 PolarHBondContact O-N 3Å; R276-A279 WeakPolarHBondContact O-CB 3.44Å; R276-A279 PolarHBondContact O-N 3.49Å; R276-V280 PolarHBondContact O-N 2.87Å; R276-V280 VanDerWaalsContact O-N 3.09Å |
| 277 | Q | 97.3 | Very high | 95.4 | Very high | 5 Ų | 5 | 40.6 Ų | 40.6 | 2% | 0.023 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -58.6 | -45.9 | 172.1 | -66 | 173.8 | -73.7 | 0 | 0 | 111 | F209 F211 T273 F274 A279 V280 M281 | F209-Q277 WeakPolarHBondContact O-CG 3.46Å; F209-Q277 PolarHBondContact O-NE2 2.88Å; F211-Q277 HydrophobicContact CB-CG 3.81Å; T273-Q277 WeakPolarHBondContact O-CG 3.49Å; T273-Q277 PolarHBondContact O-N 3.47Å; F274-Q277 WeakPolarHBondContact O-CB 3.41Å; F274-Q277 PolarHBondContact O-N 3.13Å; Q277-A279 VanDerWaalsContact C-N 3.29Å; Q277-A279 PolarHBondContact O-N 2.92Å; Q277-V280 PolarHBondContact O-N 3.42Å; Q277-M281 PolarHBondContact O-N 2.67Å |
| 278 | M | 97.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -68.1 | -30 | 178.5 | -61.7 | -59.9 | 97 | 0 | 0 | 112.2 | F209 C256 L259 F274 E275 R276 M281 R282 | F209-M278 HydrophobicContact CD1-CE 4.41Å; C256-M278 HydrophobicContact CB-CG 4.44Å; C256-M278 HydrophobicContact CB-SD 4.11Å; L259-M278 HydrophobicContact CB-SD 4.29Å; L259-M278 HydrophobicContact CD1-CE 3.95Å; L259-M278 HydrophobicContact CD1-SD 3.87Å; F274-M278 HydrophobicContact CD1-CG 4.19Å; F274-M278 HydrophobicContact CD2-CG 4.47Å; F274-M278 HydrophobicContact CE1-CG 3.6Å; F274-M278 HydrophobicContact CE1-SD 4.48Å; F274-M278 HydrophobicContact CE2-CE 3.95Å; F274-M278 HydrophobicContact CE2-CG 3.93Å; F274-M278 HydrophobicContact CE2-SD 4.02Å; F274-M278 HydrophobicContact CZ-CE 4.29Å; F274-M278 HydrophobicContact CZ-CG 3.44Å; F274-M278 VanDerWaalsContact CZ-CG 3.44Å; F274-M278 HydrophobicContact CZ-SD 3.74Å; F274-M278 WeakPolarHBondContact O-CG 3.23Å; F274-M278 PolarHBondContact O-N 3.39Å; E275-M278 PolarHBondContact O-N 2.98Å; R276-M278 VanDerWaalsContact C-N 3.33Å; R276-M278 PolarHBondContact O-N 3Å; M278-M281 HydrophobicContact CE-SD 4.31Å; M278-M281 PolarHBondContact O-N 2.67Å; M278-M281 HydrophobicContact SD-CE 3.86Å; M278-M281 HydrophobicContact SD-SD 4.32Å; M278-R282 VanDerWaalsContact CB-NH1 3.27Å; M278-R282 WeakPolarHBondContact O-CB 3.4Å; M278-R282 WeakPolarHBondContact O-CG 3.33Å; M278-R282 PolarHBondContact O-N 3.18Å |
| 279 | A | 96.8 | Very high | 96.3 | Very high | 4 Ų | 4 | 29.2 Ų | 29.2 | 3% | 0.033 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -66.6 | -38.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | E275 R276 Q277 R282 G283 I308 I309 E310 | E275-A279 WeakPolarHBondContact O-CB 3.17Å; E275-A279 PolarHBondContact O-N 2.98Å; R276-A279 WeakPolarHBondContact O-CB 3.44Å; R276-A279 PolarHBondContact O-N 3.49Å; Q277-A279 VanDerWaalsContact C-N 3.29Å; Q277-A279 PolarHBondContact O-N 2.92Å; A279-R282 VanDerWaalsContact CA-NH2 3.33Å; A279-G283 PolarHBondContact O-N 3.5Å; A279-I308 HydrophobicContact CB-CG2 3.69Å; A279-I309 VanDerWaalsContact CA-O 3.23Å; A279-I309 WeakPolarHBondContact CA-O 3.49Å; A279-I309 WeakPolarHBondContact CB-O 3.48Å; A279-I309 PolarHBondContact O-N 2.95Å; A279-E310 HydrophobicContact CB-CG 4.39Å |
| 280 | V | 97.1 | Very high | 96.6 | Very high | 2 Ų | 2 | 30.8 Ų | 30.8 | 1% | 0.012 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64.6 | -50.2 | 170.5 | 173.9 | 0 | 0 | 0 | 0 | 110.5 | P210 R276 Q277 R282 G283 Q284 | P210-V280 HydrophobicContact CG-CG1 4.31Å; R276-V280 PolarHBondContact O-N 2.87Å; R276-V280 VanDerWaalsContact O-N 3.09Å; Q277-V280 PolarHBondContact O-N 3.42Å; V280-R282 PolarHBondContact O-N 3.41Å; V280-G283 WeakPolarHBondContact O-CA 3.48Å; V280-G283 PolarHBondContact O-N 3.38Å; V280-G283 VanDerWaalsContact O-N 3.08Å; V280-Q284 HydrophobicContact CG1-CG 4.47Å; V280-Q284 WeakPolarHBondContact O-CG 3.42Å; V280-Q284 PolarHBondContact O-N 2.98Å |
| 281 | M | 98 | Very high | 96.8 | Very high | 4 Ų | 4 | 27.2 Ų | 27.2 | 2% | 0.02 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -58.1 | -44.6 | -179.1 | -172 | -176.2 | 80.6 | 0 | 0 | 112.1 | I159 F209 L255 C256 L259 Q277 M278 G283 Q284 I285 | I159-M281 HydrophobicContact CG2-CG 4Å; I159-M281 HydrophobicContact CG2-SD 4.36Å; I159-M281 WeakPolarHBondContact O-CG 3.39Å; F209-M281 HydrophobicContact CE1-SD 4.33Å; L255-M281 HydrophobicContact CD2-CE 4.04Å; L255-M281 HydrophobicContact CD2-SD 4.41Å; L255-M281 HydrophobicContact CG-CE 4.14Å; C256-M281 VanDerWaalsContact SG-CE 3.6Å; L259-M281 HydrophobicContact CD1-CE 3.86Å; L259-M281 HydrophobicContact CD1-SD 3.54Å; L259-M281 VanDerWaalsContact CD1-SD 3.54Å; Q277-M281 PolarHBondContact O-N 2.67Å; M278-M281 HydrophobicContact CE-SD 4.31Å; M278-M281 PolarHBondContact O-N 2.67Å; M278-M281 HydrophobicContact SD-CE 3.86Å; M278-M281 HydrophobicContact SD-SD 4.32Å; M281-G283 VanDerWaalsContact C-N 3.31Å; M281-G283 PolarHBondContact O-N 3.22Å; M281-Q284 WeakPolarHBondContact O-CB 3.36Å; M281-Q284 PolarHBondContact O-N 3.24Å; M281-I285 HydrophobicContact CE-CD1 4.14Å; M281-I285 HydrophobicContact CG-CD1 4.05Å; M281-I285 WeakPolarHBondContact O-CG1 3.4Å; M281-I285 PolarHBondContact O-N 2.9Å |
| 282 | R | 97.5 | Very high | 97 | Very high | 1 Ų | 1 | 22.7 Ų | 22.7 | 0% | 0.004 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -60.7 | -40.3 | 175.4 | -77.3 | -175.8 | -64.2 | -92.7 | 1.5 | 112.2 | V252 E275 M278 A279 V280 I285 L286 I309 W324 | V252-R282 HydrophobicContact CG1-CG 4.11Å; E275-R282 IonicContact OE2-NH2 3.97Å; M278-R282 VanDerWaalsContact CB-NH1 3.27Å; M278-R282 WeakPolarHBondContact O-CB 3.4Å; M278-R282 WeakPolarHBondContact O-CG 3.33Å; M278-R282 PolarHBondContact O-N 3.18Å; A279-R282 VanDerWaalsContact CA-NH2 3.33Å; V280-R282 PolarHBondContact O-N 3.41Å; R282-I285 PolarHBondContact O-N 3.33Å; R282-L286 PolarHBondContact O-N 3.48Å; R282-I309 HydrophobicContact CB-CB 3.8Å; R282-I309 HydrophobicContact CB-CD1 4.38Å; R282-I309 HydrophobicContact CB-CG2 4.26Å; R282-I309 PolarHBondContact NE-O 3.02Å; R282-I309 PolarHBondContact NH2-O 3.42Å; R282-I309 WeakPolarHBondContact O-CD1 3.38Å; R282-W324 HydrophobicContact CB-CZ3 4.16Å; R282-W324 HydrophobicContact CG-CZ3 4.42Å |
| 283 | G | 96.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -63.3 | -40.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | A279 V280 M281 L286 N287 M307 | A279-G283 PolarHBondContact O-N 3.5Å; V280-G283 WeakPolarHBondContact O-CA 3.48Å; V280-G283 PolarHBondContact O-N 3.38Å; V280-G283 VanDerWaalsContact O-N 3.08Å; M281-G283 VanDerWaalsContact C-N 3.31Å; M281-G283 PolarHBondContact O-N 3.22Å; G283-L286 PolarHBondContact O-N 2.6Å; G283-N287 PolarHBondContact O-N 3.32Å; G283-M307 WeakPolarHBondContact CA-O 3.46Å |
| 284 | Q | 97.8 | Very high | 97.4 | Very high | 6 Ų | 6 | 24.7 Ų | 24.7 | 3% | 0.028 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -62.1 | -46.2 | 172.2 | -63.6 | -67.8 | 8.1 | 0 | 0 | 111.3 | Y158 R161 H213 V280 M281 L286 N287 L288 | Y158-Q284 HydrophobicContact CD1-CB 4.04Å; Y158-Q284 HydrophobicContact CE1-CB 4.05Å; Y158-Q284 VanDerWaalsContact CE1-O 3.23Å; Y158-Q284 WeakPolarHBondContact CE1-O 3.39Å; Y158-Q284 WeakPolarHBondContact O-CB 3.27Å; Y158-Q284 VanDerWaalsContact O-CG 3.27Å; Y158-Q284 WeakPolarHBondContact O-CG 3.35Å; Y158-Q284 PolarHBondContact OH-OE1 3.45Å; R161-Q284 HydrophobicContact CB-CG 4.25Å; H213-Q284 PolarHBondContact CE1-NE2 3.16Å; V280-Q284 HydrophobicContact CG1-CG 4.47Å; V280-Q284 WeakPolarHBondContact O-CG 3.42Å; V280-Q284 PolarHBondContact O-N 2.98Å; M281-Q284 WeakPolarHBondContact O-CB 3.36Å; M281-Q284 PolarHBondContact O-N 3.24Å; Q284-L286 VanDerWaalsContact C-N 3.3Å; Q284-L286 PolarHBondContact O-N 2.87Å; Q284-N287 PolarHBondContact O-N 3.39Å; Q284-L288 WeakPolarHBondContact O-CB 3.4Å; Q284-L288 PolarHBondContact O-N 3.25Å |
| 285 | I | 97.9 | Very high | 97.4 | Very high | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.005 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -58.8 | -42.4 | 178.5 | -73.9 | 167.7 | 0 | 0 | 0 | 111.3 | I159 I246 V252 M281 R282 L288 C289 W324 | I159-I285 HydrophobicContact CG1-CG1 4.13Å; I159-I285 HydrophobicContact CG2-CD1 4.3Å; I159-I285 HydrophobicContact CG2-CG1 4.14Å; I246-I285 HydrophobicContact CB-CG2 4Å; V252-I285 HydrophobicContact CG1-CD1 3.89Å; V252-I285 HydrophobicContact CG2-CD1 4.3Å; V252-I285 HydrophobicContact CG2-CG2 3.92Å; M281-I285 HydrophobicContact CE-CD1 4.14Å; M281-I285 HydrophobicContact CG-CD1 4.05Å; M281-I285 WeakPolarHBondContact O-CG1 3.4Å; M281-I285 PolarHBondContact O-N 2.9Å; R282-I285 PolarHBondContact O-N 3.33Å; I285-L288 PolarHBondContact O-N 3.25Å; I285-C289 WeakPolarHBondContact O-CB 3.47Å; I285-C289 PolarHBondContact O-N 3.16Å; I285-W324 HydrophobicContact CG2-CH2 4.05Å; I285-W324 HydrophobicContact CG2-CZ2 4.14Å |
| 286 | L | 96.4 | Very high | 97.5 | Very high | 33 Ų | 33 | 27.2 Ų | 27.2 | 17% | 0.173 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -62.8 | -47.7 | 178.3 | -176.9 | 66.4 | 0 | 0 | 0 | 112 | R282 G283 Q284 L288 C289 Q290 M307 I309 W324 | R282-L286 PolarHBondContact O-N 3.48Å; G283-L286 PolarHBondContact O-N 2.6Å; Q284-L286 VanDerWaalsContact C-N 3.3Å; Q284-L286 PolarHBondContact O-N 2.87Å; L286-L288 VanDerWaalsContact C-N 3.33Å; L286-L288 PolarHBondContact O-N 2.9Å; L286-C289 PolarHBondContact O-N 2.89Å; L286-Q290 PolarHBondContact O-N 2.86Å; L286-M307 HydrophobicContact CD2-CE 3.66Å; L286-I309 HydrophobicContact CB-CD1 3.64Å; L286-I309 HydrophobicContact CD2-CD1 3.53Å; L286-I309 HydrophobicContact CG-CD1 4.15Å; L286-W324 HydrophobicContact CD1-CD2 4.48Å |
| 287 | N | 97.2 | Very high | 97.6 | Very high | 6 Ų | 6 | 21.5 Ų | 21.5 | 3% | 0.032 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -60.4 | -43.6 | 176.2 | -82 | -4.7 | 0 | 0 | 0 | 111.6 | Y158 G283 Q284 Q290 A291 L301 M304 P305 M307 | Y158-N287 HydrophobicContact CE1-CB 3.96Å; Y158-N287 VanDerWaalsContact OH-CB 3.27Å; Y158-N287 WeakPolarHBondContact OH-CB 3.38Å; Y158-N287 PolarHBondContact OH-ND2 3.08Å; G283-N287 PolarHBondContact O-N 3.32Å; Q284-N287 PolarHBondContact O-N 3.39Å; N287-Q290 PolarHBondContact O-N 2.99Å; N287-A291 WeakPolarHBondContact O-CB 3.45Å; N287-A291 PolarHBondContact O-N 3.02Å; N287-L301 HydrophobicContact CB-CD1 4.43Å; N287-M304 HydrophobicContact CB-CE 4Å; N287-M304 HydrophobicContact CB-SD 4.28Å; N287-P305 PolarHBondContact ND2-O 3.12Å; N287-M307 WeakPolarHBondContact OD1-CG 3.43Å |
| 288 | L | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -62.9 | -44.4 | 177.7 | 177.8 | 63.6 | 0 | 0 | 0 | 111.6 | I155 Y158 I159 F234 I246 Q284 I285 L286 Q290 A291 L292 L301 | I155-L288 HydrophobicContact CB-CD2 4.5Å; I155-L288 HydrophobicContact CG1-CD1 4.19Å; I155-L288 HydrophobicContact CG1-CD2 4.29Å; I155-L288 HydrophobicContact CG2-CD2 3.99Å; Y158-L288 HydrophobicContact CD1-CB 4.01Å; Y158-L288 HydrophobicContact CE1-CB 4.19Å; I159-L288 HydrophobicContact CD1-CD2 3.78Å; I159-L288 HydrophobicContact CG1-CD2 3.72Å; F234-L288 HydrophobicContact CE2-CD1 4.48Å; F234-L288 HydrophobicContact CZ-CD1 4.35Å; I246-L288 HydrophobicContact CD1-CB 4.23Å; I246-L288 HydrophobicContact CD1-CD2 3.78Å; I246-L288 HydrophobicContact CD1-CG 3.72Å; Q284-L288 WeakPolarHBondContact O-CB 3.4Å; Q284-L288 PolarHBondContact O-N 3.25Å; I285-L288 PolarHBondContact O-N 3.25Å; L286-L288 VanDerWaalsContact C-N 3.33Å; L286-L288 PolarHBondContact O-N 2.9Å; L288-Q290 VanDerWaalsContact C-N 3.32Å; L288-Q290 PolarHBondContact O-N 3.02Å; L288-A291 PolarHBondContact O-N 3.13Å; L288-L292 HydrophobicContact CD1-CD1 4.16Å; L288-L292 HydrophobicContact CD1-CD2 4.48Å; L288-L292 HydrophobicContact CD1-CG 4Å; L288-L292 HydrophobicContact CG-CD1 4.1Å; L288-L292 HydrophobicContact CG-CG 4.33Å; L288-L292 WeakPolarHBondContact O-CB 3.33Å; L288-L292 WeakPolarHBondContact O-CG 3.37Å; L288-L292 PolarHBondContact O-N 2.78Å; L288-L301 HydrophobicContact CB-CD1 4.48Å; L288-L301 HydrophobicContact CD1-CD1 4.47Å; L288-L301 HydrophobicContact CD1-CD2 3.64Å |
| 289 | C | 97.9 | Very high | 97.7 | Very high | 6 Ų | 6 | 23.3 Ų | 23.3 | 4% | 0.041 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -57.3 | -46.6 | 176.7 | -178.9 | 0 | 0 | 0 | 0 | 110.9 | I246 D247 I285 L286 L292 K293 | I246-C289 HydrophobicContact CD1-CB 4.06Å; I246-C289 HydrophobicContact CG1-CB 4.33Å; D247-C289 PolarHBondContact OD1-SG 3.4Å; I285-C289 WeakPolarHBondContact O-CB 3.47Å; I285-C289 PolarHBondContact O-N 3.16Å; L286-C289 PolarHBondContact O-N 2.89Å; C289-L292 PolarHBondContact O-N 3.4Å; C289-K293 WeakPolarHBondContact O-CG 3.39Å; C289-K293 PolarHBondContact O-N 2.95Å; C289-K293 VanDerWaalsContact SG-CE 3.54Å |
| 290 | Q | 97.4 | Very high | 97.7 | Very high | 81 Ų | 81 | 27.4 Ų | 27.4 | 38% | 0.379 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -62.3 | -47.1 | 176 | -178.3 | 175.5 | 6.6 | 0 | 0 | 112.1 | L286 N287 L288 L292 K293 E294 M304 | L286-Q290 PolarHBondContact O-N 2.86Å; N287-Q290 PolarHBondContact O-N 2.99Å; L288-Q290 VanDerWaalsContact C-N 3.32Å; L288-Q290 PolarHBondContact O-N 3.02Å; Q290-L292 VanDerWaalsContact C-N 3.33Å; Q290-L292 PolarHBondContact O-N 2.78Å; Q290-K293 PolarHBondContact O-N 2.99Å; Q290-E294 HydrophobicContact CG-CG 4.47Å; Q290-E294 WeakPolarHBondContact CG-OE1 3.37Å; Q290-E294 PolarHBondContact NE2-OE1 3.34Å; Q290-E294 WeakPolarHBondContact O-CB 3.14Å; Q290-E294 WeakPolarHBondContact O-CG 3.26Å; Q290-E294 PolarHBondContact O-N 2.62Å; Q290-M304 HydrophobicContact CB-CE 4.15Å; Q290-M304 HydrophobicContact CG-CE 4.2Å |
| 291 | A | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -60.4 | -40.9 | 179 | 0 | 0 | 0 | 0 | 0 | 112.7 | N287 L288 E294 G295 R296 L301 M304 | N287-A291 WeakPolarHBondContact O-CB 3.45Å; N287-A291 PolarHBondContact O-N 3.02Å; L288-A291 PolarHBondContact O-N 3.13Å; A291-E294 PolarHBondContact O-N 2.77Å; A291-G295 PolarHBondContact O-N 2.98Å; A291-G295 VanDerWaalsContact O-N 3.1Å; A291-R296 HydrophobicContact CB-CB 4.05Å; A291-R296 HydrophobicContact CB-CG 4.5Å; A291-R296 PolarHBondContact O-N 3.32Å; A291-L301 HydrophobicContact CB-CB 4.23Å; A291-L301 HydrophobicContact CB-CD1 3.66Å; A291-L301 HydrophobicContact CB-CG 4.46Å; A291-M304 HydrophobicContact CB-SD 4.01Å |
| 292 | L | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -68.8 | -38.2 | 176.1 | -69.2 | 179.9 | 0 | 0 | 0 | 112 | F234 R239 V242 L243 I246 L288 C289 Q290 E294 G295 | F234-L292 HydrophobicContact CB-CD2 3.75Å; F234-L292 HydrophobicContact CD1-CD2 4.01Å; F234-L292 HydrophobicContact CD2-CD2 3.55Å; F234-L292 HydrophobicContact CE2-CD2 4.11Å; F234-L292 HydrophobicContact CG-CD2 3.51Å; R239-L292 HydrophobicContact CG-CD2 4.19Å; R239-L292 PolarHBondContact NE-O 3.27Å; R239-L292 PolarHBondContact NH2-O 3.06Å; R239-L292 VanDerWaalsContact NH2-O 3.16Å; V242-L292 HydrophobicContact CB-CD1 4.2Å; V242-L292 HydrophobicContact CG1-CD1 4.05Å; L243-L292 HydrophobicContact CD1-CB 4.15Å; I246-L292 HydrophobicContact CD1-CD1 3.92Å; L288-L292 HydrophobicContact CD1-CD1 4.16Å; L288-L292 HydrophobicContact CD1-CD2 4.48Å; L288-L292 HydrophobicContact CD1-CG 4Å; L288-L292 HydrophobicContact CG-CD1 4.1Å; L288-L292 HydrophobicContact CG-CG 4.33Å; L288-L292 WeakPolarHBondContact O-CB 3.33Å; L288-L292 WeakPolarHBondContact O-CG 3.37Å; L288-L292 PolarHBondContact O-N 2.78Å; C289-L292 PolarHBondContact O-N 3.4Å; Q290-L292 VanDerWaalsContact C-N 3.33Å; Q290-L292 PolarHBondContact O-N 2.78Å; L292-E294 VanDerWaalsContact C-N 3.34Å; L292-G295 PolarHBondContact O-N 3.4Å |
| 293 | K | 97.9 | Very high | 97.5 | Very high | 98 Ų | 98 | 35.7 Ų | 35.7 | 43% | 0.426 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -62.7 | -41.9 | 175.2 | -76.4 | 177.2 | 179 | 177.9 | 0 | 111.8 | R239 L243 D247 C289 Q290 G295 | R239-K293 PolarHBondContact NH2-O 3.31Å; L243-K293 HydrophobicContact CD1-CG 3.94Å; L243-K293 HydrophobicContact CD2-CG 3.91Å; D247-K293 WeakPolarHBondContact OD1-CE 3.38Å; D247-K293 IonicContact OD1-NZ 2.79Å; D247-K293 PolarHBondContact OD1-NZ 2.73Å; D247-K293 VanDerWaalsContact OD2-CE 3.28Å; D247-K293 WeakPolarHBondContact OD2-CE 3.37Å; D247-K293 IonicContact OD2-NZ 2.78Å; D247-K293 PolarHBondContact OD2-NZ 2.97Å; C289-K293 WeakPolarHBondContact O-CG 3.39Å; C289-K293 PolarHBondContact O-N 2.95Å; C289-K293 VanDerWaalsContact SG-CE 3.54Å; Q290-K293 PolarHBondContact O-N 2.99Å; K293-G295 VanDerWaalsContact C-N 3.34Å |
| 294 | E | 97.8 | Very high | 97.5 | Very high | 101 Ų | 101 | 36.4 Ų | 36.4 | 47% | 0.472 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -2.9 | -177.7 | -66.4 | 176.7 | -164.4 | 0 | 0 | 114.2 | Q290 A291 L292 R296 | Q290-E294 HydrophobicContact CG-CG 4.47Å; Q290-E294 WeakPolarHBondContact CG-OE1 3.37Å; Q290-E294 PolarHBondContact NE2-OE1 3.34Å; Q290-E294 WeakPolarHBondContact O-CB 3.14Å; Q290-E294 WeakPolarHBondContact O-CG 3.26Å; Q290-E294 PolarHBondContact O-N 2.62Å; A291-E294 PolarHBondContact O-N 2.77Å; L292-E294 VanDerWaalsContact C-N 3.34Å; E294-R296 HydrophobicContact CB-CG 4.1Å; E294-R296 IonicContact OE1-NH2 3.69Å; E294-R296 IonicContact OE2-CZ 3.9Å; E294-R296 IonicContact OE2-NE 2.63Å; E294-R296 PolarHBondContact OE2-NE 3.23Å; E294-R296 IonicContact OE2-NH2 3.67Å; E294-R296 PolarHBondContact OE2-NH2 3.16Å |
| 295 | G | 97 | Very high | 97.3 | Very high | 27 Ų | 27 | 39.8 Ų | 39.8 | 28% | 0.278 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66.5 | 36 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | A291 L292 K293 | A291-G295 PolarHBondContact O-N 2.98Å; A291-G295 VanDerWaalsContact O-N 3.1Å; L292-G295 PolarHBondContact O-N 3.4Å; K293-G295 VanDerWaalsContact C-N 3.34Å |
| 296 | R | 98.4 | Very high | 97 | Very high | 70 Ų | 70 | 42.7 Ų | 42.7 | 26% | 0.264 | 22% | 0.22 | S | C | . | . | trans | -74.2 | 163.5 | 177.9 | -66.7 | -170.6 | -174.4 | -164 | 2.5 | 111.9 | F234 A291 E294 Q300 | F234-R296 WeakPolarHBondContact CD2-O 3.43Å; F234-R296 PolarHBondContact N-O 3.42Å; A291-R296 HydrophobicContact CB-CB 4.05Å; A291-R296 HydrophobicContact CB-CG 4.5Å; A291-R296 PolarHBondContact O-N 3.32Å; E294-R296 HydrophobicContact CB-CG 4.1Å; E294-R296 IonicContact OE1-NH2 3.69Å; E294-R296 IonicContact OE2-CZ 3.9Å; E294-R296 IonicContact OE2-NE 2.63Å; E294-R296 PolarHBondContact OE2-NE 3.23Å; E294-R296 IonicContact OE2-NH2 3.67Å; E294-R296 PolarHBondContact OE2-NH2 3.16Å; R296-Q300 VanDerWaalsContact CA-OE1 3.23Å; R296-Q300 HydrophobicContact CB-CB 3.99Å; R296-Q300 HydrophobicContact CG-CB 4.39Å | ||
| 297 | S | 98.6 | Very high | 96.8 | Very high | 7 Ų | 7 | 41.6 Ų | 41.6 | 5% | 0.049 | 22% | 0.215 | C | C | . | . | trans | -88.3 | 161.9 | 169.8 | 66.7 | 0 | 0 | 0 | 0 | 112.7 | A230 R231 E232 M299 Q300 L301 | A230-S297 WeakPolarHBondContact O-CB 3.43Å; R231-S297 WeakPolarHBondContact O-CB 3.19Å; E232-S297 WeakPolarHBondContact O-CA 3.3Å; E232-S297 WeakPolarHBondContact O-CB 3.44Å; S297-M299 PolarHBondContact O-N 3.47Å; S297-Q300 PolarHBondContact O-N 2.93Å; S297-Q300 WeakPolarHBondContact OG-CG 3.38Å; S297-Q300 PolarHBondContact OG-N 3.4Å; S297-L301 PolarHBondContact O-N 3.36Å | ||
| 298 | P | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -51.3 | -38.6 | 171.1 | -30.8 | 37.2 | 0 | 0 | 0 | 114 | F150 V154 W224 A230 E232 F234 L301 V302 | F150-P298 HydrophobicContact CE1-CG 4.29Å; V154-P298 HydrophobicContact CG1-CB 3.84Å; V154-P298 HydrophobicContact CG1-CG 4.11Å; V154-P298 HydrophobicContact CG2-CB 3.95Å; V154-P298 HydrophobicContact CG2-CG 4.04Å; W224-P298 HydrophobicContact CE3-CB 4.47Å; W224-P298 HydrophobicContact CZ3-CB 3.81Å; A230-P298 HydrophobicContact CB-CB 4.06Å; A230-P298 WeakPolarHBondContact O-CD 3.36Å; E232-P298 WeakPolarHBondContact O-CD 3.16Å; F234-P298 HydrophobicContact CE1-CG 4.01Å; F234-P298 HydrophobicContact CE2-CG 4.44Å; F234-P298 HydrophobicContact CZ-CB 4.47Å; F234-P298 HydrophobicContact CZ-CG 3.94Å; P298-L301 WeakPolarHBondContact O-CB 3.39Å; P298-L301 PolarHBondContact O-N 2.68Å; P298-V302 PolarHBondContact O-N 3.02Å; P298-V302 VanDerWaalsContact O-N 3.11Å |
| 299 | M | 97.8 | Very high | 96.4 | Very high | 43 Ų | 43 | 42.7 Ų | 42.7 | 21% | 0.212 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63 | -43.5 | 176 | 178.6 | 64.6 | 87.8 | 0 | 0 | 111.6 | A225 A230 S297 L301 V302 Q303 | A225-M299 WeakPolarHBondContact O-CE 3.3Å; A230-M299 VanDerWaalsContact O-CB 3.23Å; A230-M299 WeakPolarHBondContact O-CB 3.08Å; A230-M299 PolarHBondContact O-N 2.96Å; S297-M299 PolarHBondContact O-N 3.47Å; M299-L301 VanDerWaalsContact C-N 3.33Å; M299-V302 WeakPolarHBondContact O-CG2 3.31Å; M299-V302 HydrophobicContact SD-CG2 4.35Å; M299-Q303 VanDerWaalsContact O-CG 3.29Å; M299-Q303 WeakPolarHBondContact O-CG 3.4Å; M299-Q303 PolarHBondContact O-N 3Å |
| 300 | Q | 97.8 | Very high | 96 | Very high | 89 Ų | 89 | 46.6 Ų | 46.6 | 42% | 0.416 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -68.9 | -33.3 | 177.3 | -70.9 | 172.6 | -37.9 | 0 | 0 | 112.1 | R296 S297 Q303 M304 | R296-Q300 VanDerWaalsContact CA-OE1 3.23Å; R296-Q300 HydrophobicContact CB-CB 3.99Å; R296-Q300 HydrophobicContact CG-CB 4.39Å; S297-Q300 PolarHBondContact O-N 2.93Å; S297-Q300 WeakPolarHBondContact OG-CG 3.38Å; S297-Q300 PolarHBondContact OG-N 3.4Å; Q300-Q303 PolarHBondContact O-N 3.26Å; Q300-M304 PolarHBondContact O-N 3.31Å |
| 301 | L | 98 | Very high | 95.4 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.3 | -46.8 | 175.1 | 171.7 | 63.9 | 0 | 0 | 0 | 111.9 | V154 Y158 F234 N287 L288 A291 S297 P298 M299 Q303 M304 | V154-L301 HydrophobicContact CG1-CD2 4.33Å; Y158-L301 HydrophobicContact CD1-CD1 4.15Å; Y158-L301 HydrophobicContact CD1-CD2 4.02Å; Y158-L301 HydrophobicContact CD1-CG 4.3Å; Y158-L301 HydrophobicContact CD2-CD1 4.44Å; Y158-L301 HydrophobicContact CD2-CD2 3.84Å; Y158-L301 HydrophobicContact CD2-CG 3.87Å; Y158-L301 HydrophobicContact CE1-CD1 3.55Å; Y158-L301 HydrophobicContact CE1-CD2 4.25Å; Y158-L301 HydrophobicContact CE1-CG 4.03Å; Y158-L301 HydrophobicContact CE2-CD1 3.9Å; Y158-L301 HydrophobicContact CE2-CD2 4.1Å; Y158-L301 HydrophobicContact CE2-CG 3.59Å; Y158-L301 HydrophobicContact CG-CD2 3.8Å; Y158-L301 HydrophobicContact CG-CG 4.21Å; Y158-L301 VanDerWaalsContact CZ-CD1 3.4Å; Y158-L301 PolarHBondContact OH-O 2.82Å; F234-L301 HydrophobicContact CE2-CB 4.48Å; F234-L301 HydrophobicContact CE2-CD2 4.07Å; F234-L301 HydrophobicContact CZ-CD2 3.97Å; N287-L301 HydrophobicContact CB-CD1 4.43Å; L288-L301 HydrophobicContact CB-CD1 4.48Å; L288-L301 HydrophobicContact CD1-CD1 4.47Å; L288-L301 HydrophobicContact CD1-CD2 3.64Å; A291-L301 HydrophobicContact CB-CB 4.23Å; A291-L301 HydrophobicContact CB-CD1 3.66Å; A291-L301 HydrophobicContact CB-CG 4.46Å; S297-L301 PolarHBondContact O-N 3.36Å; P298-L301 WeakPolarHBondContact O-CB 3.39Å; P298-L301 PolarHBondContact O-N 2.68Å; M299-L301 VanDerWaalsContact C-N 3.33Å; L301-Q303 PolarHBondContact O-N 3.49Å; L301-M304 HydrophobicContact CD1-SD 4Å; L301-M304 VanDerWaalsContact O-CB 3.32Å; L301-M304 WeakPolarHBondContact O-CB 3.42Å; L301-M304 WeakPolarHBondContact O-CG 3.35Å; L301-M304 PolarHBondContact O-N 2.95Å; L301-M304 VanDerWaalsContact O-N 3.09Å |
| 302 | V | 95.8 | Very high | 94.1 | Very high | 45 Ų | 45 | 50 Ų | 50 | 27% | 0.273 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -70.7 | -16.4 | -179.8 | -59.9 | 0 | 0 | 0 | 0 | 113.4 | Y158 F222 W224 A225 P298 M299 M304 | Y158-V302 HydrophobicContact CD2-CG1 4.45Å; Y158-V302 HydrophobicContact CE2-CG1 4.47Å; F222-V302 HydrophobicContact CD2-CB 4.47Å; F222-V302 HydrophobicContact CD2-CG1 3.62Å; F222-V302 HydrophobicContact CE2-CG1 4.14Å; W224-V302 HydrophobicContact CH2-CG1 3.58Å; W224-V302 HydrophobicContact CZ3-CG1 3.95Å; A225-V302 HydrophobicContact CB-CG2 4.07Å; P298-V302 PolarHBondContact O-N 3.02Å; P298-V302 VanDerWaalsContact O-N 3.11Å; M299-V302 WeakPolarHBondContact O-CG2 3.31Å; M299-V302 HydrophobicContact SD-CG2 4.35Å; V302-M304 VanDerWaalsContact C-N 3.35Å |
| 303 | Q | 94.7 | Very high | 91.9 | Very high | 136 Ų | 136 | 57.4 Ų | 57.4 | 64% | 0.636 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -11.1 | 172.9 | -70.4 | 171.4 | -12.4 | 0 | 0 | 113.1 | M299 Q300 L301 | M299-Q303 VanDerWaalsContact O-CG 3.29Å; M299-Q303 WeakPolarHBondContact O-CG 3.4Å; M299-Q303 PolarHBondContact O-N 3Å; Q300-Q303 PolarHBondContact O-N 3.26Å; L301-Q303 PolarHBondContact O-N 3.49Å |
| 304 | M | 95.2 | Very high | 89.4 | Confident | 15 Ų | 15 | 55.7 Ų | 55.7 | 7% | 0.074 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -66.1 | 140.8 | 176.8 | -65.4 | -179.2 | 66.8 | 0 | 0 | 110.8 | N287 Q290 A291 Q300 L301 V302 | N287-M304 HydrophobicContact CB-CE 4Å; N287-M304 HydrophobicContact CB-SD 4.28Å; Q290-M304 HydrophobicContact CB-CE 4.15Å; Q290-M304 HydrophobicContact CG-CE 4.2Å; A291-M304 HydrophobicContact CB-SD 4.01Å; Q300-M304 PolarHBondContact O-N 3.31Å; L301-M304 HydrophobicContact CD1-SD 4Å; L301-M304 VanDerWaalsContact O-CB 3.32Å; L301-M304 WeakPolarHBondContact O-CB 3.42Å; L301-M304 WeakPolarHBondContact O-CG 3.35Å; L301-M304 PolarHBondContact O-N 2.95Å; L301-M304 VanDerWaalsContact O-N 3.09Å; V302-M304 VanDerWaalsContact C-N 3.35Å |
| 305 | P | 93.1 | Very high | 86.7 | Confident | 78 Ų | 78 | 59.1 Ų | 59.1 | 51% | 0.506 | 33% | 0.329 | S | S | . | . | P | Polyproline II helix | trans | -56.3 | 135.5 | 177.3 | -25.3 | 34.2 | 0 | 0 | 0 | 112.2 | N287 M307 F331 | N287-P305 PolarHBondContact ND2-O 3.12Å; P305-M307 PolarHBondContact O-N 3.41Å; P305-F331 HydrophobicContact CB-CD1 3.78Å; P305-F331 HydrophobicContact CB-CE1 3.88Å; P305-F331 HydrophobicContact CG-CE1 4.45Å |
| 306 | P | 92.8 | Very high | 83.9 | Confident | 61 Ų | 61 | 60.7 Ų | 60.7 | 40% | 0.396 | 35% | 0.345 | S | S | . | . | P | Polyproline II helix | trans | -62.7 | 124.9 | 177.2 | -21.9 | 32.2 | 0 | 0 | 0 | 112.2 | H213 Q332 | H213-P306 HydrophobicContact CB-CB 4.36Å; P306-Q332 PolarHBondContact O-N 2.92Å |
| 307 | M | 92.1 | Very high | 80.9 | Confident | 11 Ų | 11 | 64.7 Ų | 64.7 | 5% | 0.054 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 146.7 | -179.9 | -73.8 | -76.1 | -82.8 | 0 | 0 | 111.1 | H213 G283 L286 N287 P305 Q329 F331 | H213-M307 PolarHBondContact NE2-O 3.2Å; G283-M307 WeakPolarHBondContact CA-O 3.46Å; L286-M307 HydrophobicContact CD2-CE 3.66Å; N287-M307 WeakPolarHBondContact OD1-CG 3.43Å; P305-M307 PolarHBondContact O-N 3.41Å; M307-Q329 HydrophobicContact CE-CB 4.1Å; M307-F331 HydrophobicContact CG-CD1 4.3Å; M307-F331 HydrophobicContact CG-CE1 4.12Å; M307-F331 HydrophobicContact SD-CD1 3.44Å; M307-F331 WeakPolarHBondContact SD-CD1 3.37Å; M307-F331 HydrophobicContact SD-CD2 4.4Å; M307-F331 HydrophobicContact SD-CE1 3.21Å; M307-F331 WeakPolarHBondContact SD-CE1 3.38Å; M307-F331 HydrophobicContact SD-CE2 4.2Å; M307-F331 HydrophobicContact SD-CG 4.06Å; M307-F331 HydrophobicContact SD-CZ 3.63Å |
| 308 | I | 93.9 | Very high | 78.2 | Confident | 29 Ų | 29 | 69.1 Ų | 69.1 | 15% | 0.149 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 132.7 | 169.3 | -61.6 | 178.1 | 0 | 0 | 0 | 107.9 | A279 E310 S330 | A279-I308 HydrophobicContact CB-CG2 3.69Å; I308-E310 HydrophobicContact CG2-CG 4.28Å; I308-S330 PolarHBondContact N-O 3.22Å; I308-S330 PolarHBondContact O-N 2.98Å; I308-S330 PolarHBondContact O-OG 3.34Å |
| 309 | I | 92.9 | Very high | 75.6 | Confident | 0 Ų | 0 | 79.7 Ų | 79.7 | 0% | 0 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 104.3 | -177.8 | -59.2 | -178 | 0 | 0 | 0 | 110.1 | A279 R282 L286 W324 F327 K328 Q329 | A279-I309 VanDerWaalsContact CA-O 3.23Å; A279-I309 WeakPolarHBondContact CA-O 3.49Å; A279-I309 WeakPolarHBondContact CB-O 3.48Å; A279-I309 PolarHBondContact O-N 2.95Å; R282-I309 HydrophobicContact CB-CB 3.8Å; R282-I309 HydrophobicContact CB-CD1 4.38Å; R282-I309 HydrophobicContact CB-CG2 4.26Å; R282-I309 PolarHBondContact NE-O 3.02Å; R282-I309 PolarHBondContact NH2-O 3.42Å; R282-I309 WeakPolarHBondContact O-CD1 3.38Å; L286-I309 HydrophobicContact CB-CD1 3.64Å; L286-I309 HydrophobicContact CD2-CD1 3.53Å; L286-I309 HydrophobicContact CG-CD1 4.15Å; I309-W324 HydrophobicContact CD1-CE3 3.87Å; I309-W324 HydrophobicContact CD1-CZ3 3.68Å; I309-W324 HydrophobicContact CG2-CE3 4.38Å; I309-W324 HydrophobicContact CG2-CZ3 4.32Å; I309-F327 HydrophobicContact CG2-CB 3.35Å; I309-F327 HydrophobicContact CG2-CD1 3.75Å; I309-F327 HydrophobicContact CG2-CG 3.77Å; I309-K328 WeakPolarHBondContact CA-O 3.35Å; I309-Q329 HydrophobicContact CG1-CG 4.36Å |
| 310 | E | 90.4 | Very high | 73.1 | Confident | 87 Ų | 87 | 82 Ų | 82 | 41% | 0.407 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 140.7 | 180 | -61.2 | -179.8 | 150.5 | 0 | 0 | 110.9 | A279 I308 T312 K328 | A279-E310 HydrophobicContact CB-CG 4.39Å; I308-E310 HydrophobicContact CG2-CG 4.28Å; E310-T312 PolarHBondContact O-N 2.96Å; E310-K328 HydrophobicContact CB-CB 4.43Å; E310-K328 PolarHBondContact N-O 2.94Å; E310-K328 PolarHBondContact O-N 3.1Å; E310-K328 IonicContact OE2-NZ 3.72Å |
| 311 | K | 83.6 | Confident | 70.7 | Confident | 70 Ų | 70 | 87.8 Ų | 87.8 | 30% | 0.304 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 122.9 | 168.9 | -74.6 | 176.4 | -174.4 | 177.8 | 0 | 108.6 | M253 E275 V313 F327 | M253-K311 VanDerWaalsContact CE-CE 3.45Å; E275-K311 IonicContact OE1-NZ 3.83Å; K311-V313 PolarHBondContact O-N 3.2Å; K311-F327 HydrophobicContact CB-CE1 4.43Å; K311-F327 HydrophobicContact CG-CD1 4.03Å; K311-F327 HydrophobicContact CG-CE1 3.52Å; K311-F327 HydrophobicContact CG-CZ 4.47Å |
| 312 | T | 71.6 | Confident | 68.7 | Low | 84 Ų | 84 | 91 Ų | 91 | 52% | 0.515 | 51% | 0.512 | S | S | . | . | P | Polyproline II helix | trans | -74.9 | 118.2 | 173.2 | -19 | 0 | 0 | 0 | 0 | 108.3 | E310 G314 S326 | E310-T312 PolarHBondContact O-N 2.96Å; T312-G314 VanDerWaalsContact C-N 3.3Å; T312-G314 PolarHBondContact O-N 3.04Å; T312-S326 PolarHBondContact OG1-O 3.04Å |
| 313 | V | 52.4 | Low | 66.9 | Low | 154 Ų | 154 | 97.2 Ų | 97.2 | 93% | 0.933 | 53% | 0.531 | S | S | * | . | S | Bend | trans | -71.8 | 87.1 | 177.4 | -175.3 | 0 | 0 | 0 | 0 | 107.9 | K311 | K311-V313 PolarHBondContact O-N 3.2Š|
| 314 | G | 45.9 | Very low | 65.6 | Low | 62 Ų | 62 | 92.1 Ų | 92.1 | 64% | 0.639 | 51% | 0.506 | S | S | * | . | trans | 149.1 | 71.6 | 175 | 0 | 0 | 0 | 0 | 0 | 115.8 | T312 | T312-G314 VanDerWaalsContact C-N 3.3Å; T312-G314 PolarHBondContact O-N 3.04Å | ||
| 315 | Q | 40 | Very low | 63.9 | Low | 174 Ų | 174 | 97.2 Ų | 97.2 | 81% | 0.813 | 53% | 0.534 | S | S | * | . | trans | -172.3 | 98.7 | 150.6 | -102.2 | 172 | 12.3 | 0 | 0 | 104.5 | ||||
| 316 | G | 37.9 | Very low | 62.5 | Low | 59 Ų | 59 | 95.9 Ų | 95.9 | 61% | 0.608 | 53% | 0.526 | S | S | * | . | cis | 87.4 | 65.1 | 49.2 | 0 | 0 | 0 | 0 | 0 | 110 | S318 | G316-S318 PolarHBondContact O-N 3.02Š| ||
| 317 | T | 36.8 | Very low | 61.5 | Low | 155 Ų | 155 | 93.9 Ų | 93.9 | 95% | 0.951 | 51% | 0.511 | S | S | * | . | trans | 43.3 | 46 | 149.4 | 61.8 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 318 | S | 40.5 | Very low | 60.8 | Low | 99 Ų | 99 | 99 Ų | 99 | 69% | 0.692 | 53% | 0.533 | S | S | * | . | trans | -120.9 | 118.8 | 167.5 | -158.2 | 0 | 0 | 0 | 0 | 111.1 | G316 S320 | G316-S318 PolarHBondContact O-N 3.02Å; S318-S320 PolarHBondContact O-N 2.73Å | ||
| 319 | K | 45.4 | Very low | 60 | Low | 223 Ų | 223 | 101.9 Ų | 101.9 | 97% | 0.97 | 55% | 0.546 | S | S | * | . | trans | -68.7 | 28.7 | 175.2 | -70 | -178.8 | 173.4 | 178.1 | 0 | 113 | ||||
| 320 | S | 44.1 | Very low | 59.2 | Low | 91 Ų | 91 | 103.6 Ų | 103.6 | 64% | 0.636 | 56% | 0.558 | S | S | * | * | S | Bend | trans | -93.9 | 125.9 | 174.4 | -170.3 | 0 | 0 | 0 | 0 | 107.7 | S318 T322 | S318-S320 PolarHBondContact O-N 2.73Å; S320-T322 PolarHBondContact O-N 3.36Å |
| 321 | R | 48.2 | Very low | 58.4 | Low | 210 Ų | 210 | 105.7 Ų | 105.7 | 79% | 0.792 | 57% | 0.566 | S | S | * | * | trans | -33.8 | 110.6 | -175.4 | -69.5 | 171.9 | 84.3 | 155.2 | 4 | 111 | R323 | R321-R323 PolarHBondContact O-N 2.88Å; R321-R323 VanDerWaalsContact O-N 3.13Å | ||
| 322 | T | 54.9 | Low | 57.5 | Low | 67 Ų | 67 | 105 Ų | 105 | 41% | 0.411 | 56% | 0.564 | S | S | . | * | trans | -53.9 | 117.7 | -179.7 | -16.3 | 0 | 0 | 0 | 0 | 107.7 | L249 D250 S320 | L249-T322 WeakPolarHBondContact CB-O 3.36Å; L249-T322 VanDerWaalsContact CD2-C 3.42Å; L249-T322 HydrophobicContact CD2-CG2 4.19Å; L249-T322 WeakPolarHBondContact CD2-O 3.22Å; D250-T322 PolarHBondContact OD1-OG1 3.28Å; S320-T322 PolarHBondContact O-N 3.36Å | ||
| 323 | R | 59.6 | Low | 56.8 | Low | 176 Ų | 176 | 110.3 Ų | 110.3 | 66% | 0.664 | 58% | 0.58 | S | S | * | * | trans | -100.7 | 149.4 | 178.1 | -112.6 | -172.9 | -99.7 | 176.7 | -7 | 109.1 | L249 R321 D325 S326 | L249-R323 VanDerWaalsContact CD2-C 3.42Å; R321-R323 PolarHBondContact O-N 2.88Å; R321-R323 VanDerWaalsContact O-N 3.13Å; R323-D325 HydrophobicContact CB-CB 4.48Å; R323-D325 PolarHBondContact O-N 2.89Å; R323-S326 WeakPolarHBondContact O-CB 3.41Å; R323-S326 PolarHBondContact O-N 3.09Å; R323-S326 PolarHBondContact O-OG 3.26Å | ||
| 324 | W | 65.4 | Low | 56.6 | Low | 30 Ų | 30 | 113.3 Ų | 113.3 | 11% | 0.114 | 57% | 0.574 | C | S | . | * | G | 310 helix | trans | -55.1 | -21.7 | 176.4 | -71.1 | 99.4 | 0 | 0 | 0 | 113.2 | L249 V252 R282 I285 L286 I309 S326 F327 | L249-W324 HydrophobicContact CD1-CD2 4.02Å; L249-W324 HydrophobicContact CD1-CE3 4.1Å; L249-W324 HydrophobicContact CD1-CH2 4.05Å; L249-W324 HydrophobicContact CD1-CZ2 3.94Å; L249-W324 HydrophobicContact CD1-CZ3 4.11Å; V252-W324 HydrophobicContact CG1-CH2 4.05Å; V252-W324 HydrophobicContact CG2-CH2 4.38Å; V252-W324 HydrophobicContact CG2-CZ2 4.13Å; R282-W324 HydrophobicContact CB-CZ3 4.16Å; R282-W324 HydrophobicContact CG-CZ3 4.42Å; I285-W324 HydrophobicContact CG2-CH2 4.05Å; I285-W324 HydrophobicContact CG2-CZ2 4.14Å; L286-W324 HydrophobicContact CD1-CD2 4.48Å; I309-W324 HydrophobicContact CD1-CE3 3.87Å; I309-W324 HydrophobicContact CD1-CZ3 3.68Å; I309-W324 HydrophobicContact CG2-CE3 4.38Å; I309-W324 HydrophobicContact CG2-CZ3 4.32Å; W324-S326 PolarHBondContact O-N 2.92Å; W324-F327 PolarHBondContact O-N 2.94Å; W324-F327 VanDerWaalsContact O-N 3.12Å |
| 325 | D | 60.1 | Low | 56.3 | Low | 122 Ų | 122 | 114.6 Ų | 114.6 | 65% | 0.652 | 58% | 0.579 | S | S | * | * | G | 310 helix | trans | -60.8 | -22.5 | 174.3 | -53.5 | -28.8 | 0 | 0 | 0 | 113.5 | R323 F327 | R323-D325 HydrophobicContact CB-CB 4.48Å; R323-D325 PolarHBondContact O-N 2.89Å; D325-F327 PolarHBondContact O-N 3.37Å |
| 326 | S | 63.4 | Low | 56 | Low | 49 Ų | 49 | 111.9 Ų | 111.9 | 34% | 0.343 | 58% | 0.577 | S | S | . | * | G | 310 helix | trans | -74.7 | -5.1 | 176.1 | -58 | 0 | 0 | 0 | 0 | 113.5 | T312 R323 W324 | T312-S326 PolarHBondContact OG1-O 3.04Å; R323-S326 WeakPolarHBondContact O-CB 3.41Å; R323-S326 PolarHBondContact O-N 3.09Å; R323-S326 PolarHBondContact O-OG 3.26Å; W324-S326 PolarHBondContact O-N 2.92Å |
| 327 | F | 71.7 | Confident | 56 | Low | 20 Ų | 20 | 115.6 Ų | 115.6 | 9% | 0.088 | 58% | 0.576 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -110.1 | 146.6 | -177.8 | -65.4 | -106.5 | 0 | 0 | 0 | 111.4 | L249 M253 I309 K311 W324 D325 Q329 | L249-F327 HydrophobicContact CD1-CE2 4.02Å; L249-F327 HydrophobicContact CD1-CZ 4.16Å; L249-F327 HydrophobicContact CD2-CD2 4.22Å; L249-F327 HydrophobicContact CD2-CE2 3.5Å; L249-F327 HydrophobicContact CD2-CZ 4.33Å; L249-F327 HydrophobicContact CG-CE2 4.25Å; M253-F327 HydrophobicContact SD-CE1 4.2Å; M253-F327 HydrophobicContact SD-CZ 3.79Å; I309-F327 HydrophobicContact CG2-CB 3.35Å; I309-F327 HydrophobicContact CG2-CD1 3.75Å; I309-F327 HydrophobicContact CG2-CG 3.77Å; K311-F327 HydrophobicContact CB-CE1 4.43Å; K311-F327 HydrophobicContact CG-CD1 4.03Å; K311-F327 HydrophobicContact CG-CE1 3.52Å; K311-F327 HydrophobicContact CG-CZ 4.47Å; W324-F327 PolarHBondContact O-N 2.94Å; W324-F327 VanDerWaalsContact O-N 3.12Å; D325-F327 PolarHBondContact O-N 3.37Å; F327-Q329 PolarHBondContact O-N 2.95Å |
| 328 | K | 77.2 | Confident | 55.8 | Low | 118 Ų | 118 | 117 Ų | 117 | 51% | 0.513 | 57% | 0.57 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -79.6 | 109.7 | 173.2 | -175.7 | -176.2 | 172.6 | -163.3 | 0 | 109.3 | I309 E310 | I309-K328 WeakPolarHBondContact CA-O 3.35Å; E310-K328 HydrophobicContact CB-CB 4.43Å; E310-K328 PolarHBondContact N-O 2.94Å; E310-K328 PolarHBondContact O-N 3.1Å; E310-K328 IonicContact OE2-NZ 3.72Å |
| 329 | Q | 78.4 | Confident | 55.3 | Low | 89 Ų | 89 | 118.4 Ų | 118.4 | 42% | 0.416 | 58% | 0.579 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -85.6 | 133.4 | 172.9 | -58.4 | -178.8 | 21.6 | 0 | 0 | 109.7 | M307 I309 F327 | M307-Q329 HydrophobicContact CE-CB 4.1Å; I309-Q329 HydrophobicContact CG1-CG 4.36Å; F327-Q329 PolarHBondContact O-N 2.95Å |
| 330 | S | 76.1 | Confident | 54.6 | Low | 36 Ų | 36 | 113 Ų | 113 | 25% | 0.252 | 57% | 0.568 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -142.6 | 140.3 | 174.5 | 60.4 | 0 | 0 | 0 | 0 | 110.6 | I308 | I308-S330 PolarHBondContact N-O 3.22Å; I308-S330 PolarHBondContact O-N 2.98Å; I308-S330 PolarHBondContact O-OG 3.34Å |
| 331 | F | 73.6 | Confident | 54.1 | Low | 131 Ų | 131 | 118.2 Ų | 118.2 | 58% | 0.575 | 60% | 0.602 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -77.5 | 144.4 | 163.9 | -63.4 | -80.3 | 0 | 0 | 0 | 108.8 | P305 M307 K333 | P305-F331 HydrophobicContact CB-CD1 3.78Å; P305-F331 HydrophobicContact CB-CE1 3.88Å; P305-F331 HydrophobicContact CG-CE1 4.45Å; M307-F331 HydrophobicContact CG-CD1 4.3Å; M307-F331 HydrophobicContact CG-CE1 4.12Å; M307-F331 HydrophobicContact SD-CD1 3.44Å; M307-F331 WeakPolarHBondContact SD-CD1 3.37Å; M307-F331 HydrophobicContact SD-CD2 4.4Å; M307-F331 HydrophobicContact SD-CE1 3.21Å; M307-F331 WeakPolarHBondContact SD-CE1 3.38Å; M307-F331 HydrophobicContact SD-CE2 4.2Å; M307-F331 HydrophobicContact SD-CG 4.06Å; M307-F331 HydrophobicContact SD-CZ 3.63Å; F331-K333 PolarHBondContact O-N 3.03Å |
| 332 | Q | 65.5 | Low | 54.4 | Low | 57 Ų | 57 | 113.7 Ų | 113.7 | 27% | 0.266 | 59% | 0.593 | S | S | . | * | P | Polyproline II helix | trans | -56.9 | 118 | 171.6 | -174.9 | -179.5 | 6.1 | 0 | 0 | 108.9 | H213 P214 P306 R334 | H213-Q332 PolarHBondContact O-NE2 3.14Å; P214-Q332 PolarHBondContact O-NE2 2.85Å; P306-Q332 PolarHBondContact O-N 2.92Å; Q332-R334 PolarHBondContact O-N 3.16Å; Q332-R334 VanDerWaalsContact O-N 3.11Å |
| 333 | K | 56.1 | Low | 54.4 | Low | 195 Ų | 195 | 116.1 Ų | 116.1 | 85% | 0.848 | 60% | 0.603 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 118.1 | 174.5 | -73.9 | -173.4 | 176.4 | -175.9 | 0 | 108.1 | F331 A335 | F331-K333 PolarHBondContact O-N 3.03Å; K333-A335 VanDerWaalsContact C-N 3.33Å; K333-A335 PolarHBondContact O-N 3.03Å |
| 334 | R | 48.3 | Very low | 54.1 | Low | 216 Ų | 216 | 112.8 Ų | 112.8 | 82% | 0.815 | 60% | 0.599 | S | S | * | * | trans | -62.5 | 94.3 | 168.8 | -66.8 | -179.1 | -179.5 | 168.7 | 0.3 | 107.7 | Q332 P336 | Q332-R334 PolarHBondContact O-N 3.16Å; Q332-R334 VanDerWaalsContact O-N 3.11Å; R334-P336 WeakPolarHBondContact O-CD 3.37Å | ||
| 335 | A | 39.2 | Very low | 53.4 | Low | 89 Ų | 89 | 117.6 Ų | 117.6 | 74% | 0.736 | 63% | 0.628 | S | S | * | * | trans | -86.4 | 115 | 171.3 | 0 | 0 | 0 | 0 | 0 | 107.9 | K333 | K333-A335 VanDerWaalsContact C-N 3.33Å; K333-A335 PolarHBondContact O-N 3.03Å | ||
| 336 | P | 33.5 | Very low | 53 | Low | 118 Ų | 118 | 117.4 Ų | 117.4 | 77% | 0.766 | 63% | 0.626 | S | S | * | * | trans | -66.3 | 150.2 | 168.1 | 28.7 | -31.2 | 0 | 0 | 0 | 109.6 | R334 | R334-P336 WeakPolarHBondContact O-CD 3.37Š| ||
| 337 | F | 37.8 | Very low | 52.3 | Low | 137 Ų | 137 | 121.9 Ų | 121.9 | 60% | 0.601 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -58.2 | 142 | 175.7 | -121.4 | -106 | 0 | 0 | 0 | 110.7 | W217 | W217-F337 AromaticContact CD1-CE2 3.59Å; W217-F337 HydrophobicContact CD2-CE2 4.25Å; W217-F337 AromaticContact CG-CE2 3.98Å; W217-F337 HydrophobicContact CG-CE2 3.98Å; W217-F337 AromaticContact NE1-CE2 3.66Å |
| 338 | F | 32.1 | Very low | 50.9 | Low | 185 Ų | 185 | 129.2 Ų | 129.2 | 81% | 0.811 | 69% | 0.685 | S | S | * | * | trans | 86.5 | 83.3 | 179 | -51.3 | -75 | 0 | 0 | 0 | 117.4 | ||||
| 339 | S | 30.5 | Very low | 48.9 | Very low | 127 Ų | 127 | 130.1 Ų | 130.1 | 89% | 0.888 | 70% | 0.698 | S | S | * | * | trans | -125.9 | 94.3 | 136.7 | 164.3 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 340 | C | 31.3 | Very low | 46.4 | Very low | 111 Ų | 111 | 133.5 Ų | 133.5 | 75% | 0.75 | 72% | 0.722 | S | S | * | * | trans | -129.2 | 109.1 | 169.1 | -153.7 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 341 | C | 33.1 | Very low | 43.7 | Very low | 200 Ų | 200 | 142.4 Ų | 142.4 | 100% | 1.351 | 76% | 0.764 | S | S | * | * | trans | 69.4 | 0 | -178.6 | -60.5 | 0 | 0 | 0 | 0 | 116.3 |
Retrieved 341 of 341 residues in 260.9 ms
(Link to these results)