| 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 | 45.1 | Very low | 60.2 | Low | 137 Ų | 137 | 96.5 Ų | 96.5 | 68% | 0.675 | 56% | 0.558 | S | S | * | * | 0 | 149.1 | 0 | -70.3 | -168.9 | -169.4 | 0 | 0 | 109.7 | P10 F63 | M1-P10 HydrophobicContact SD-CB 4.22Å; M1-F63 HydrophobicContact CE-CD2 4.35Å; M1-F63 HydrophobicContact CE-CE1 4.1Å; M1-F63 HydrophobicContact CE-CE2 3.68Å; M1-F63 HydrophobicContact CE-CZ 3.52Å | |||
| 2 | G | 47.9 | Very low | 62.8 | Low | 22 Ų | 22 | 91.1 Ų | 91.1 | 23% | 0.227 | 53% | 0.534 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 165.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | V11 | G2-V11 VanDerWaalsContact O-CG2 3.26Å; G2-V11 WeakPolarHBondContact O-CG2 3.44Å; G2-V11 PolarHBondContact O-N 3.35Å |
| 3 | R | 48.8 | Very low | 65.1 | Low | 194 Ų | 194 | 89.2 Ų | 89.2 | 73% | 0.732 | 52% | 0.519 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119 | 130.9 | 167.4 | -69.3 | -178.2 | -180 | -174.2 | -0.3 | 108.2 | ||
| 4 | K | 44.7 | Very low | 67.1 | Low | 118 Ų | 118 | 87.4 Ų | 87.4 | 51% | 0.513 | 50% | 0.502 | S | S | . | . | trans | -70 | 129.8 | 173.5 | -174 | 177 | -176.2 | 173.3 | 0 | 108.5 | G6 S7 | K4-G6 PolarHBondContact O-N 3.12Å; K4-G6 VanDerWaalsContact O-N 3.13Å; K4-S7 PolarHBondContact O-N 3.08Å; K4-S7 VanDerWaalsContact O-O 3.11Å | ||
| 5 | S | 47.9 | Very low | 68.9 | Low | 128 Ų | 128 | 86.7 Ų | 86.7 | 90% | 0.895 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | 120.9 | 176.8 | -165.3 | 0 | 0 | 0 | 0 | 109.7 | ||
| 6 | G | 52.2 | Low | 70.4 | Confident | 92 Ų | 92 | 82.9 Ų | 82.9 | 95% | 0.948 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.2 | -7.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 117 | K4 | K4-G6 PolarHBondContact O-N 3.12Å; K4-G6 VanDerWaalsContact O-N 3.13Å |
| 7 | S | 55.3 | Low | 71.8 | Confident | 47 Ų | 47 | 82.1 Ų | 82.1 | 33% | 0.329 | 47% | 0.471 | S | S | . | . | trans | -128.6 | 125.5 | 174.2 | 85.7 | 0 | 0 | 0 | 0 | 112.3 | K4 K9 | K4-S7 PolarHBondContact O-N 3.08Å; K4-S7 VanDerWaalsContact O-O 3.11Å; S7-K9 PolarHBondContact O-N 3.22Å | ||
| 8 | S | 64.2 | Low | 73.1 | Confident | 102 Ų | 102 | 80.9 Ų | 80.9 | 71% | 0.713 | 46% | 0.46 | S | S | * | . | trans | -71.1 | 5.2 | 179.9 | -172.9 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 9 | K | 80.4 | Confident | 74.1 | Confident | 151 Ų | 151 | 81.9 Ų | 81.9 | 66% | 0.657 | 47% | 0.473 | S | S | * | . | trans | -84.3 | 133.6 | -174.2 | -69.2 | -174.8 | 178.8 | 179.4 | 0 | 111 | S7 | S7-K9 PolarHBondContact O-N 3.22Š| ||
| 10 | P | 86.7 | Confident | 75 | Confident | 59 Ų | 59 | 86.5 Ų | 86.5 | 38% | 0.383 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 146.2 | 174.4 | 28 | -34 | 0 | 0 | 0 | 110.8 | M1 F63 | M1-P10 HydrophobicContact SD-CB 4.22Å; P10-F63 HydrophobicContact CB-CB 4.36Å; P10-F63 HydrophobicContact CB-CD1 4.23Å; P10-F63 HydrophobicContact CB-CG 4.44Å; P10-F63 HydrophobicContact CG-CB 4.42Å; P10-F63 HydrophobicContact CG-CD1 3.97Å |
| 11 | V | 88.7 | Confident | 75.8 | Confident | 11 Ų | 11 | 84 Ų | 84 | 7% | 0.067 | 47% | 0.472 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 150 | 172.7 | -62 | 0 | 0 | 0 | 0 | 110.9 | G2 I13 L48 I60 M61 | G2-V11 VanDerWaalsContact O-CG2 3.26Å; G2-V11 WeakPolarHBondContact O-CG2 3.44Å; G2-V11 PolarHBondContact O-N 3.35Å; V11-I13 HydrophobicContact CG2-CD1 4.39Å; V11-I13 HydrophobicContact CG2-CG1 4.18Å; V11-L48 HydrophobicContact CB-CD1 4.44Å; V11-L48 HydrophobicContact CG1-CD1 3.58Å; V11-I60 HydrophobicContact CB-CG2 4.02Å; V11-I60 HydrophobicContact CG1-CG2 4.32Å; V11-I60 HydrophobicContact CG2-CG2 3.93Å; V11-M61 WeakPolarHBondContact CA-O 3.49Å; V11-M61 WeakPolarHBondContact CB-O 3.49Å |
| 12 | A | 92.1 | Very high | 78 | Confident | 32 Ų | 32 | 81 Ų | 81 | 26% | 0.264 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 137.8 | 168.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | M61 F63 | A12-M61 HydrophobicContact CB-CB 4.46Å; A12-M61 PolarHBondContact N-O 3.41Å; A12-M61 PolarHBondContact O-N 3.16Å; A12-F63 HydrophobicContact CB-CD2 4.4Å |
| 13 | I | 92.7 | Very high | 80 | Confident | 67 Ų | 67 | 85.5 Ų | 85.5 | 34% | 0.344 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 114.2 | 177.9 | -53.7 | 178.2 | 0 | 0 | 0 | 107.9 | V11 Y58 I59 I60 | V11-I13 HydrophobicContact CG2-CD1 4.39Å; V11-I13 HydrophobicContact CG2-CG1 4.18Å; I13-Y58 HydrophobicContact CG2-CD1 4.13Å; I13-I59 WeakPolarHBondContact CA-O 3.31Å; I13-I60 HydrophobicContact CG1-CG1 4.34Å |
| 14 | K | 92.5 | Very high | 81.7 | Confident | 64 Ų | 64 | 80.3 Ų | 80.3 | 28% | 0.278 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 110.7 | 171.8 | -175.2 | 176.6 | 177.4 | -177.6 | 0 | 107.5 | I16 E32 Y58 I59 M61 D127 | K14-I16 HydrophobicContact CD-CD1 4.37Å; K14-I16 HydrophobicContact CG-CD1 4.19Å; K14-I16 HydrophobicContact CG-CG1 4.15Å; K14-E32 IonicContact NZ-OE1 3.76Å; K14-E32 PolarHBondContact NZ-OE1 3.05Å; K14-E32 IonicContact NZ-OE2 3.76Å; K14-E32 PolarHBondContact NZ-OE2 3.23Å; K14-Y58 WeakPolarHBondContact O-CA 3.39Å; K14-I59 HydrophobicContact CB-CB 4.3Å; K14-I59 PolarHBondContact N-O 3.31Å; K14-I59 PolarHBondContact O-N 2.88Å; K14-M61 HydrophobicContact CB-CE 3.68Å; K14-D127 IonicContact NZ-OD1 2.72Å; K14-D127 PolarHBondContact NZ-OD1 3.17Å |
| 15 | C | 94.1 | Very high | 83.8 | Confident | 77 Ų | 77 | 75.5 Ų | 75.5 | 52% | 0.52 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 122 | -180 | -63 | 0 | 0 | 0 | 0 | 110 | Y58 | C15-Y58 HydrophobicContact CB-CD1 4.39Å; C15-Y58 VanDerWaalsContact SG-CD1 3.59Å |
| 16 | I | 92.9 | Very high | 85.9 | Confident | 26 Ų | 26 | 74.7 Ų | 74.7 | 13% | 0.133 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 118.6 | -173.8 | -57.7 | 159.5 | 0 | 0 | 0 | 108.9 | K14 K18 L21 L29 F56 V57 I59 | K14-I16 HydrophobicContact CD-CD1 4.37Å; K14-I16 HydrophobicContact CG-CD1 4.19Å; K14-I16 HydrophobicContact CG-CG1 4.15Å; I16-K18 PolarHBondContact O-N 3.27Å; I16-L21 HydrophobicContact CG2-CD1 3.97Å; I16-L21 HydrophobicContact CG2-CD2 3.96Å; I16-L21 HydrophobicContact CG2-CG 4.21Å; I16-L29 HydrophobicContact CD1-CD1 3.45Å; I16-L29 VanDerWaalsContact CD1-CD1 3.45Å; I16-L29 HydrophobicContact CD1-CD2 4.34Å; I16-L29 HydrophobicContact CG2-CD2 4.13Å; I16-F56 CarbonylContact O-C 3.53Å; I16-F56 VanDerWaalsContact O-CA 3.25Å; I16-F56 WeakPolarHBondContact O-CA 3.42Å; I16-V57 HydrophobicContact CB-CB 4.49Å; I16-V57 PolarHBondContact N-O 3.01Å; I16-V57 PolarHBondContact O-N 2.86Å; I16-I59 HydrophobicContact CD1-CD1 3.95Å; I16-I59 HydrophobicContact CD1-CG1 4.45Å |
| 17 | M | 95 | Very high | 87.7 | Confident | 68 Ų | 68 | 75 Ų | 75 | 34% | 0.335 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 119.6 | -178.5 | -172.7 | -179.7 | -78.5 | 0 | 0 | 110.9 | S19 K20 F56 | M17-S19 VanDerWaalsContact C-N 3.34Å; M17-S19 WeakPolarHBondContact CG-OG 3.4Å; M17-S19 PolarHBondContact O-N 2.67Å; M17-S19 PolarHBondContact SD-OG 2.86Å; M17-K20 HydrophobicContact CB-CD 4.47Å; M17-K20 HydrophobicContact CB-CG 4.41Å; M17-K20 HydrophobicContact CG-CG 4.33Å; M17-K20 PolarHBondContact O-N 3.07Å; M17-K20 HydrophobicContact SD-CD 3.95Å; M17-K20 HydrophobicContact SD-CG 3.86Å; M17-F56 HydrophobicContact CB-CD1 4.04Å; M17-F56 HydrophobicContact CB-CE1 3.74Å; M17-F56 HydrophobicContact CE-CE1 3.78Å; M17-F56 HydrophobicContact CE-CZ 3.6Å; M17-F56 HydrophobicContact CG-CE1 4.06Å; M17-F56 HydrophobicContact CG-CZ 4.42Å |
| 18 | K | 93.8 | Very high | 89.2 | Confident | 61 Ų | 61 | 74.3 Ų | 74.3 | 27% | 0.265 | 40% | 0.401 | S | S | . | . | G | 310 helix | trans | -62.5 | -37.3 | -175.3 | -68 | 179.4 | 175.7 | -174.7 | 0 | 113.3 | I16 K20 L21 D53 S55 F56 V57 | I16-K18 PolarHBondContact O-N 3.27Å; K18-K20 PolarHBondContact O-N 3.43Å; K18-L21 PolarHBondContact O-N 3.12Å; K18-D53 WeakPolarHBondContact CE-O 3.37Å; K18-D53 PolarHBondContact NZ-O 3.3Å; K18-S55 WeakPolarHBondContact CB-O 3.45Å; K18-S55 PolarHBondContact N-O 3.19Å; K18-F56 WeakPolarHBondContact CE-O 3.49Å; K18-V57 HydrophobicContact CD-CG2 4.45Å; K18-V57 HydrophobicContact CG-CG2 4.09Å |
| 19 | S | 93.2 | Very high | 90.6 | Very high | 100 Ų | 100 | 70.1 Ų | 70.1 | 70% | 0.699 | 37% | 0.371 | S | S | * | . | G | 310 helix | trans | -66.8 | -23.3 | -179 | 55.5 | 0 | 0 | 0 | 0 | 113.4 | M17 | M17-S19 VanDerWaalsContact C-N 3.34Å; M17-S19 WeakPolarHBondContact CG-OG 3.4Å; M17-S19 PolarHBondContact O-N 2.67Å; M17-S19 PolarHBondContact SD-OG 2.86Å |
| 20 | K | 92.7 | Very high | 91.2 | Very high | 173 Ų | 173 | 67.3 Ų | 67.3 | 75% | 0.752 | 37% | 0.366 | S | S | * | . | G | 310 helix | trans | -86.9 | -8.9 | 177.6 | -68.4 | -171.9 | 175.8 | -172.8 | 0 | 113.7 | M17 K18 | M17-K20 HydrophobicContact CB-CD 4.47Å; M17-K20 HydrophobicContact CB-CG 4.41Å; M17-K20 HydrophobicContact CG-CG 4.33Å; M17-K20 PolarHBondContact O-N 3.07Å; M17-K20 HydrophobicContact SD-CD 3.95Å; M17-K20 HydrophobicContact SD-CG 3.86Å; K18-K20 PolarHBondContact O-N 3.43Å |
| 21 | L | 90.4 | Very high | 91.5 | Very high | 34 Ų | 34 | 66.6 Ų | 66.6 | 18% | 0.178 | 36% | 0.362 | C | S | . | . | trans | -83.4 | 122.3 | -179.8 | -63.7 | 173.5 | 0 | 0 | 0 | 110.2 | I16 K18 R26 L29 | I16-L21 HydrophobicContact CG2-CD1 3.97Å; I16-L21 HydrophobicContact CG2-CD2 3.96Å; I16-L21 HydrophobicContact CG2-CG 4.21Å; K18-L21 PolarHBondContact O-N 3.12Å; L21-R26 HydrophobicContact CB-CG 3.63Å; L21-R26 HydrophobicContact CD1-CG 4.07Å; L21-R26 PolarHBondContact O-NE 3.41Å; L21-R26 PolarHBondContact O-NH2 3.34Å; L21-L29 HydrophobicContact CD1-CD2 3.61Å | ||
| 22 | S | 92 | Very high | 91.8 | Very high | 74 Ų | 74 | 66.6 Ų | 66.6 | 52% | 0.517 | 36% | 0.362 | S | S | . | . | trans | -63 | 167.3 | 160.9 | 68 | 0 | 0 | 0 | 0 | 110.4 | Q24 G25 R26 | S22-Q24 VanDerWaalsContact C-N 3.26Å; S22-Q24 PolarHBondContact O-N 3.3Å; S22-G25 WeakPolarHBondContact O-CA 3.45Å; S22-G25 PolarHBondContact O-N 3.46Å; S22-G25 PolarHBondContact OG-N 3.41Å; S22-R26 WeakPolarHBondContact O-CG 3.43Å; S22-R26 PolarHBondContact O-N 3.01Å | ||
| 23 | N | 88.7 | Confident | 91.9 | Very high | 118 Ų | 118 | 65.9 Ų | 65.9 | 63% | 0.631 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -54.2 | -46.6 | 175.3 | -66.4 | -13.2 | 0 | 0 | 0 | 111 | G25 R26 D27 | N23-G25 VanDerWaalsContact C-N 3.32Å; N23-G25 PolarHBondContact O-N 2.67Å; N23-R26 WeakPolarHBondContact O-CB 3.36Å; N23-R26 PolarHBondContact O-N 3.17Å; N23-R26 VanDerWaalsContact O-N 3.13Å; N23-R26 PolarHBondContact OD1-NH1 2.96Å; N23-D27 PolarHBondContact O-N 3.43Å |
| 24 | Q | 85.9 | Confident | 92.1 | Very high | 84 Ų | 84 | 66 Ų | 66 | 39% | 0.393 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62 | -38 | 175.2 | -172.9 | 60.6 | 54.2 | 0 | 0 | 112.9 | S22 R26 D27 N28 | S22-Q24 VanDerWaalsContact C-N 3.26Å; S22-Q24 PolarHBondContact O-N 3.3Å; Q24-R26 VanDerWaalsContact C-N 3.3Å; Q24-R26 PolarHBondContact O-N 3.44Å; Q24-D27 PolarHBondContact O-N 2.99Å; Q24-N28 PolarHBondContact NE2-OD1 3Å; Q24-N28 WeakPolarHBondContact O-CB 3.42Å; Q24-N28 PolarHBondContact O-N 3.21Å |
| 25 | G | 88 | Confident | 92.2 | Very high | 17 Ų | 17 | 63.5 Ų | 63.5 | 18% | 0.175 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -63.2 | -35.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | S22 N23 L29 | S22-G25 WeakPolarHBondContact O-CA 3.45Å; S22-G25 PolarHBondContact O-N 3.46Å; S22-G25 PolarHBondContact OG-N 3.41Å; N23-G25 VanDerWaalsContact C-N 3.32Å; N23-G25 PolarHBondContact O-N 2.67Å; G25-L29 WeakPolarHBondContact O-CB 3.46Å; G25-L29 PolarHBondContact O-N 3.48Å |
| 26 | R | 91.8 | Very high | 92.3 | Very high | 112 Ų | 112 | 60.2 Ų | 60.2 | 42% | 0.423 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -68.3 | -43.9 | 174.3 | -63.5 | -178.9 | -161.2 | 119.5 | 8.4 | 111.3 | L21 S22 N23 Q24 N28 L29 V30 | L21-R26 HydrophobicContact CB-CG 3.63Å; L21-R26 HydrophobicContact CD1-CG 4.07Å; L21-R26 PolarHBondContact O-NE 3.41Å; L21-R26 PolarHBondContact O-NH2 3.34Å; S22-R26 WeakPolarHBondContact O-CG 3.43Å; S22-R26 PolarHBondContact O-N 3.01Å; N23-R26 WeakPolarHBondContact O-CB 3.36Å; N23-R26 PolarHBondContact O-N 3.17Å; N23-R26 VanDerWaalsContact O-N 3.13Å; N23-R26 PolarHBondContact OD1-NH1 2.96Å; Q24-R26 VanDerWaalsContact C-N 3.3Å; Q24-R26 PolarHBondContact O-N 3.44Å; R26-N28 VanDerWaalsContact C-N 3.34Å; R26-N28 PolarHBondContact O-N 3.44Å; R26-L29 WeakPolarHBondContact O-CB 3.4Å; R26-L29 PolarHBondContact O-N 3.14Å; R26-V30 WeakPolarHBondContact O-CG2 3.24Å; R26-V30 PolarHBondContact O-N 3.09Å |
| 27 | D | 89.6 | Confident | 92.4 | Very high | 98 Ų | 98 | 64.9 Ų | 64.9 | 52% | 0.524 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63.4 | -42 | 177.7 | -63.7 | -22.6 | 0 | 0 | 0 | 111.5 | N23 Q24 L29 V30 S31 | N23-D27 PolarHBondContact O-N 3.43Å; Q24-D27 PolarHBondContact O-N 2.99Å; D27-L29 VanDerWaalsContact C-N 3.35Å; D27-L29 PolarHBondContact O-N 3.26Å; D27-V30 PolarHBondContact O-N 3.43Å; D27-S31 WeakPolarHBondContact O-CB 3.38Å; D27-S31 PolarHBondContact O-N 3.16Å |
| 28 | N | 88.3 | Confident | 92.4 | Very high | 32 Ų | 32 | 64.1 Ų | 64.1 | 17% | 0.171 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -62.3 | -41.2 | 174.5 | -70.7 | -12.1 | 0 | 0 | 0 | 111.5 | Q24 R26 S31 E32 R144 | Q24-N28 PolarHBondContact NE2-OD1 3Å; Q24-N28 WeakPolarHBondContact O-CB 3.42Å; Q24-N28 PolarHBondContact O-N 3.21Å; R26-N28 VanDerWaalsContact C-N 3.34Å; R26-N28 PolarHBondContact O-N 3.44Å; N28-S31 WeakPolarHBondContact O-CB 3.27Å; N28-S31 PolarHBondContact O-N 2.93Å; N28-E32 WeakPolarHBondContact O-CB 3.38Å; N28-E32 PolarHBondContact O-N 3.48Å; N28-R144 PolarHBondContact OD1-NH1 3.25Å; N28-R144 PolarHBondContact OD1-NH2 2.98Å |
| 29 | L | 92.9 | Very high | 92.6 | Very high | 14 Ų | 14 | 61.6 Ų | 61.6 | 7% | 0.073 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -64.1 | -43.7 | 176.7 | 176.4 | 56.6 | 0 | 0 | 0 | 112.2 | I16 L21 G25 R26 D27 S31 E32 I33 V57 I59 | I16-L29 HydrophobicContact CD1-CD1 3.45Å; I16-L29 VanDerWaalsContact CD1-CD1 3.45Å; I16-L29 HydrophobicContact CD1-CD2 4.34Å; I16-L29 HydrophobicContact CG2-CD2 4.13Å; L21-L29 HydrophobicContact CD1-CD2 3.61Å; G25-L29 WeakPolarHBondContact O-CB 3.46Å; G25-L29 PolarHBondContact O-N 3.48Å; R26-L29 WeakPolarHBondContact O-CB 3.4Å; R26-L29 PolarHBondContact O-N 3.14Å; D27-L29 VanDerWaalsContact C-N 3.35Å; D27-L29 PolarHBondContact O-N 3.26Å; L29-S31 VanDerWaalsContact C-N 3.3Å; L29-S31 PolarHBondContact O-N 3.35Å; L29-E32 PolarHBondContact O-N 3.21Å; L29-I33 HydrophobicContact CD1-CD1 3.87Å; L29-I33 HydrophobicContact CD1-CG1 4.17Å; L29-I33 HydrophobicContact CG-CD1 4.06Å; L29-I33 WeakPolarHBondContact O-CG1 3.33Å; L29-I33 PolarHBondContact O-N 3.3Å; L29-V57 HydrophobicContact CD2-CB 4.04Å; L29-V57 HydrophobicContact CD2-CG1 4.21Å; L29-V57 HydrophobicContact CD2-CG2 3.92Å; L29-I59 HydrophobicContact CD1-CD1 3.99Å |
| 30 | V | 93.7 | Very high | 92.7 | Very high | 93 Ų | 93 | 61.4 Ų | 61.4 | 56% | 0.564 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -62.5 | -41.5 | 175.9 | 173 | 0 | 0 | 0 | 0 | 110.4 | R26 D27 S34 | R26-V30 WeakPolarHBondContact O-CG2 3.24Å; R26-V30 PolarHBondContact O-N 3.09Å; D27-V30 PolarHBondContact O-N 3.43Å; V30-S34 WeakPolarHBondContact O-CB 3.41Å; V30-S34 PolarHBondContact O-N 2.96Å; V30-S34 PolarHBondContact O-OG 3.48Å |
| 31 | S | 92.2 | Very high | 92.9 | Very high | 43 Ų | 43 | 54.9 Ų | 54.9 | 30% | 0.301 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.4 | -47.1 | 174.5 | -174 | 0 | 0 | 0 | 0 | 112.1 | D27 N28 L29 I33 S34 I35 | D27-S31 WeakPolarHBondContact O-CB 3.38Å; D27-S31 PolarHBondContact O-N 3.16Å; N28-S31 WeakPolarHBondContact O-CB 3.27Å; N28-S31 PolarHBondContact O-N 2.93Å; L29-S31 VanDerWaalsContact C-N 3.3Å; L29-S31 PolarHBondContact O-N 3.35Å; S31-I33 PolarHBondContact O-N 2.98Å; S31-S34 PolarHBondContact O-N 2.86Å; S31-I35 WeakPolarHBondContact O-CB 3.46Å; S31-I35 WeakPolarHBondContact O-CG1 3.32Å; S31-I35 PolarHBondContact O-N 3.26Å |
| 32 | E | 94.7 | Very high | 93.2 | Very high | 11 Ų | 11 | 57.1 Ų | 57.1 | 5% | 0.051 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -56.5 | -50.3 | 177.5 | -179.5 | -179.8 | -174.8 | 0 | 0 | 110.7 | K14 N28 L29 S34 I35 L36 F128 | K14-E32 IonicContact NZ-OE1 3.76Å; K14-E32 PolarHBondContact NZ-OE1 3.05Å; K14-E32 IonicContact NZ-OE2 3.76Å; K14-E32 PolarHBondContact NZ-OE2 3.23Å; N28-E32 WeakPolarHBondContact O-CB 3.38Å; N28-E32 PolarHBondContact O-N 3.48Å; L29-E32 PolarHBondContact O-N 3.21Å; E32-S34 VanDerWaalsContact C-N 3.34Å; E32-S34 PolarHBondContact O-N 2.78Å; E32-I35 PolarHBondContact O-N 3.22Å; E32-L36 HydrophobicContact CG-CD1 3.84Å; E32-L36 HydrophobicContact CG-CG 4.39Å; E32-L36 WeakPolarHBondContact O-CB 3.39Å; E32-L36 VanDerWaalsContact O-CG 3.29Å; E32-L36 WeakPolarHBondContact O-CG 3.34Å; E32-L36 PolarHBondContact O-N 3.19Å; E32-F128 HydrophobicContact CG-CB 4.43Å |
| 33 | I | 95.1 | Very high | 93.5 | Very high | 17 Ų | 17 | 54.7 Ų | 54.7 | 9% | 0.087 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.2 | -42.7 | 178.4 | -67.8 | 167.1 | 0 | 0 | 0 | 110.8 | L29 S31 L36 K37 F50 V57 I59 | L29-I33 HydrophobicContact CD1-CD1 3.87Å; L29-I33 HydrophobicContact CD1-CG1 4.17Å; L29-I33 HydrophobicContact CG-CD1 4.06Å; L29-I33 WeakPolarHBondContact O-CG1 3.33Å; L29-I33 PolarHBondContact O-N 3.3Å; S31-I33 PolarHBondContact O-N 2.98Å; I33-L36 PolarHBondContact O-N 3.37Å; I33-K37 HydrophobicContact CG2-CD 4.31Å; I33-K37 HydrophobicContact CG2-CG 4.49Å; I33-K37 WeakPolarHBondContact O-CB 3.17Å; I33-K37 VanDerWaalsContact O-CG 3.28Å; I33-K37 WeakPolarHBondContact O-CG 3.45Å; I33-K37 PolarHBondContact O-N 3.36Å; I33-F50 HydrophobicContact CD1-CD2 4.11Å; I33-F50 HydrophobicContact CG2-CD1 4.35Å; I33-F50 HydrophobicContact CG2-CD2 3.9Å; I33-F50 HydrophobicContact CG2-CE2 4.08Å; I33-F50 HydrophobicContact CG2-CG 4.06Å; I33-F50 HydrophobicContact CG2-CZ 4.44Å; I33-V57 HydrophobicContact CD1-CG1 4Å; I33-I59 HydrophobicContact CD1-CD1 4.46Å; I33-I59 HydrophobicContact CG1-CD1 3.92Å; I33-I59 HydrophobicContact CG1-CG1 4.27Å |
| 34 | S | 95.8 | Very high | 93.9 | Very high | 70 Ų | 70 | 49.1 Ų | 49.1 | 49% | 0.49 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64.4 | -40.8 | -179.8 | -59.6 | 0 | 0 | 0 | 0 | 112 | V30 S31 E32 | V30-S34 WeakPolarHBondContact O-CB 3.41Å; V30-S34 PolarHBondContact O-N 2.96Å; V30-S34 PolarHBondContact O-OG 3.48Å; S31-S34 PolarHBondContact O-N 2.86Å; E32-S34 VanDerWaalsContact C-N 3.34Å; E32-S34 PolarHBondContact O-N 2.78Å |
| 35 | I | 96 | Very high | 94.5 | Very high | 12 Ų | 12 | 45.3 Ų | 45.3 | 6% | 0.062 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -64.5 | -55.2 | 173.8 | -72.9 | 170.3 | 0 | 0 | 0 | 109.6 | S31 E32 K37 A38 L39 I103 F128 A131 | S31-I35 WeakPolarHBondContact O-CB 3.46Å; S31-I35 WeakPolarHBondContact O-CG1 3.32Å; S31-I35 PolarHBondContact O-N 3.26Å; E32-I35 PolarHBondContact O-N 3.22Å; I35-K37 PolarHBondContact O-N 2.92Å; I35-A38 WeakPolarHBondContact O-CA 3.49Å; I35-A38 WeakPolarHBondContact O-CB 3.38Å; I35-A38 PolarHBondContact O-N 3.35Å; I35-L39 HydrophobicContact CG2-CD1 3.69Å; I35-L39 HydrophobicContact CG2-CG 4.18Å; I35-L39 WeakPolarHBondContact O-CG 3.42Å; I35-L39 PolarHBondContact O-N 3.38Å; I35-I103 HydrophobicContact CG2-CD1 4.16Å; I35-I103 HydrophobicContact CG2-CG2 4.49Å; I35-F128 HydrophobicContact CG2-CB 4.36Å; I35-F128 HydrophobicContact CG2-CD1 3.92Å; I35-F128 HydrophobicContact CG2-CG 4.34Å; I35-A131 HydrophobicContact CD1-CB 4.04Å; I35-A131 WeakPolarHBondContact CD1-O 3.41Å |
| 36 | L | 95.7 | Very high | 94.9 | Very high | 8 Ų | 8 | 48.7 Ų | 48.7 | 4% | 0.042 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -57.6 | -35.6 | -176.5 | -75.6 | 175 | 0 | 0 | 0 | 113.1 | E32 I33 A38 L39 M47 I59 F128 | E32-L36 HydrophobicContact CG-CD1 3.84Å; E32-L36 HydrophobicContact CG-CG 4.39Å; E32-L36 WeakPolarHBondContact O-CB 3.39Å; E32-L36 VanDerWaalsContact O-CG 3.29Å; E32-L36 WeakPolarHBondContact O-CG 3.34Å; E32-L36 PolarHBondContact O-N 3.19Å; I33-L36 PolarHBondContact O-N 3.37Å; L36-A38 PolarHBondContact O-N 2.98Å; L36-L39 PolarHBondContact O-N 3.25Å; L36-M47 HydrophobicContact CB-CB 3.97Å; L36-M47 HydrophobicContact CB-SD 4.01Å; L36-I59 HydrophobicContact CD1-CG2 4.26Å; L36-F128 HydrophobicContact CD2-CB 4.29Å; L36-F128 HydrophobicContact CD2-CD2 3.68Å; L36-F128 HydrophobicContact CD2-CE2 4.37Å; L36-F128 HydrophobicContact CD2-CG 4.17Å; L36-F128 HydrophobicContact CG-CB 4.44Å |
| 37 | K | 95.3 | Very high | 95 | Very high | 123 Ų | 123 | 44.4 Ų | 44.4 | 54% | 0.535 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -58.2 | -32.7 | 172.6 | -80.9 | 179.6 | 175.1 | -175.6 | 0 | 113.7 | I33 I35 M47 | I33-K37 HydrophobicContact CG2-CD 4.31Å; I33-K37 HydrophobicContact CG2-CG 4.49Å; I33-K37 WeakPolarHBondContact O-CB 3.17Å; I33-K37 VanDerWaalsContact O-CG 3.28Å; I33-K37 WeakPolarHBondContact O-CG 3.45Å; I33-K37 PolarHBondContact O-N 3.36Å; I35-K37 PolarHBondContact O-N 2.92Å; K37-M47 HydrophobicContact CB-CE 4.28Å; K37-M47 HydrophobicContact CD-CE 4.46Å; K37-M47 HydrophobicContact CG-CE 3.32Å |
| 38 | A | 94.7 | Very high | 95.2 | Very high | 52 Ų | 52 | 43.1 Ų | 43.1 | 43% | 0.43 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | 0.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | I35 L36 Y97 K101 | I35-A38 WeakPolarHBondContact O-CA 3.49Å; I35-A38 WeakPolarHBondContact O-CB 3.38Å; I35-A38 PolarHBondContact O-N 3.35Å; L36-A38 PolarHBondContact O-N 2.98Å; A38-Y97 PolarHBondContact O-OH 3.34Å; A38-K101 VanDerWaalsContact O-CE 3.3Å; A38-K101 WeakPolarHBondContact O-CE 3.38Å; A38-K101 PolarHBondContact O-NZ 3.32Å |
| 39 | L | 97.2 | Very high | 95.4 | Very high | 8 Ų | 8 | 45.9 Ų | 45.9 | 4% | 0.042 | 25% | 0.25 | C | S | . | . | trans | -106.1 | 118.6 | -177.2 | -60.3 | -177.9 | 0 | 0 | 0 | 111.5 | I35 L36 I44 Y97 L98 K101 I103 F128 | I35-L39 HydrophobicContact CG2-CD1 3.69Å; I35-L39 HydrophobicContact CG2-CG 4.18Å; I35-L39 WeakPolarHBondContact O-CG 3.42Å; I35-L39 PolarHBondContact O-N 3.38Å; L36-L39 PolarHBondContact O-N 3.25Å; L39-I44 HydrophobicContact CB-CG2 4.41Å; L39-I44 HydrophobicContact CD1-CG2 4.21Å; L39-Y97 HydrophobicContact CB-CE1 4.36Å; L39-Y97 HydrophobicContact CD2-CD1 4.31Å; L39-Y97 HydrophobicContact CD2-CE1 3.6Å; L39-L98 HydrophobicContact CD1-CD2 4.03Å; L39-L98 HydrophobicContact CD2-CD2 3.75Å; L39-K101 HydrophobicContact CD2-CD 3.92Å; L39-I103 HydrophobicContact CD2-CD1 3.72Å; L39-F128 HydrophobicContact CD1-CD1 3.88Å; L39-F128 HydrophobicContact CD1-CD2 4.42Å; L39-F128 HydrophobicContact CD1-CE1 3.53Å; L39-F128 HydrophobicContact CD1-CE2 4.11Å; L39-F128 HydrophobicContact CD1-CG 4.32Å; L39-F128 HydrophobicContact CD1-CZ 3.66Å | ||
| 40 | E | 96.3 | Very high | 95.4 | Very high | 96 Ų | 96 | 47.4 Ų | 47.4 | 45% | 0.449 | 26% | 0.256 | S | S | . | . | trans | -136.7 | 106.9 | 167.9 | -177.6 | 162.1 | -167.2 | 0 | 0 | 108.1 | R46 Y97 | E40-R46 IonicContact OE1-CZ 3.55Å; E40-R46 IonicContact OE1-NH1 3.45Å; E40-R46 PolarHBondContact OE1-NH1 3.32Å; E40-R46 IonicContact OE1-NH2 2.59Å; E40-R46 PolarHBondContact OE1-NH2 3.37Å; E40-R46 VanDerWaalsContact OE1-NH2 3.09Å; E40-R46 IonicContact OE2-CZ 2.72Å; E40-R46 IonicContact OE2-NH2 2.79Å; E40-R46 PolarHBondContact OE2-NH2 2.9Å; E40-Y97 PolarHBondContact N-OH 3.05Å; E40-Y97 VanDerWaalsContact N-OH 3.12Å; E40-Y97 PolarHBondContact O-OH 3.41Å | ||
| 41 | H | 97.5 | Very high | 95.4 | Very high | 37 Ų | 37 | 46.5 Ų | 46.5 | 17% | 0.171 | 25% | 0.251 | C | S | . | . | trans | -154.3 | 141.9 | -177.2 | -173.9 | -96.5 | 0 | 0 | 0 | 110.3 | H43 I44 A94 Y97 | H41-H43 AromaticContact CE1-CD2 3.83Å; H41-H43 PolarHBondContact ND1-N 3.46Å; H41-H43 VanDerWaalsContact ND1-N 3.14Å; H41-H43 PolarHBondContact O-N 3.31Å; H41-H43 VanDerWaalsContact O-N 3.14Å; H41-I44 HydrophobicContact CB-CB 4.11Å; H41-I44 HydrophobicContact CB-CD1 3.9Å; H41-I44 HydrophobicContact CB-CG1 3.97Å; H41-I44 PolarHBondContact O-N 3.04Å; H41-I44 VanDerWaalsContact O-N 3.12Å; H41-I44 VanDerWaalsContact O-O 3.05Å; H41-A94 PolarHBondContact CE1-N 3.29Å; H41-Y97 HydrophobicContact CB-CD1 3.87Å; H41-Y97 HydrophobicContact CB-CE1 4.01Å; H41-Y97 HydrophobicContact CB-CG 4.19Å; H41-Y97 AromaticContact CD2-CG 3.79Å | ||
| 42 | P | 95.5 | Very high | 95.6 | Very high | 81 Ų | 81 | 51.9 Ų | 51.9 | 53% | 0.526 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -31.1 | -178.4 | 19.9 | -34 | 0 | 0 | 0 | 114.1 | K124 | P42-K124 WeakPolarHBondContact O-CE 3.29Å; P42-K124 WeakPolarHBondContact O-CG 3.45Å; P42-K124 PolarHBondContact O-NZ 3.14Å |
| 43 | H | 97.8 | Very high | 95.5 | Very high | 22 Ų | 22 | 54.5 Ų | 54.5 | 10% | 0.102 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | 21.4 | -179 | -58 | -56.4 | 0 | 0 | 0 | 114 | H41 Q90 A94 L123 K124 L125 | H41-H43 AromaticContact CE1-CD2 3.83Å; H41-H43 PolarHBondContact ND1-N 3.46Å; H41-H43 VanDerWaalsContact ND1-N 3.14Å; H41-H43 PolarHBondContact O-N 3.31Å; H41-H43 VanDerWaalsContact O-N 3.14Å; H43-Q90 WeakPolarHBondContact CB-O 3.49Å; H43-Q90 WeakPolarHBondContact CE1-CG 3.47Å; H43-A94 HydrophobicContact CB-CB 3.95Å; H43-L123 PolarHBondContact ND1-O 3.38Å; H43-K124 CarbonylContact O-C 3.52Å; H43-K124 WeakPolarHBondContact O-CA 3.45Å; H43-L125 PolarHBondContact O-N 3.22Å |
| 44 | I | 98.4 | Very high | 95.5 | Very high | 1 Ų | 1 | 58.4 Ų | 58.4 | 1% | 0.005 | 31% | 0.314 | C | S | . | . | B | Isolated β-bridge | trans | -127.1 | 140.5 | 170.1 | -60.2 | 178.3 | 0 | 0 | 0 | 107.4 | L39 H41 R46 A94 Y97 L98 K124 L125 F128 | L39-I44 HydrophobicContact CB-CG2 4.41Å; L39-I44 HydrophobicContact CD1-CG2 4.21Å; H41-I44 HydrophobicContact CB-CB 4.11Å; H41-I44 HydrophobicContact CB-CD1 3.9Å; H41-I44 HydrophobicContact CB-CG1 3.97Å; H41-I44 PolarHBondContact O-N 3.04Å; H41-I44 VanDerWaalsContact O-N 3.12Å; H41-I44 VanDerWaalsContact O-O 3.05Å; I44-R46 PolarHBondContact O-N 3.09Å; I44-A94 HydrophobicContact CG1-CB 4.07Å; I44-Y97 HydrophobicContact CD1-CD1 3.65Å; I44-Y97 HydrophobicContact CD1-CE1 4.12Å; I44-L98 HydrophobicContact CD1-CD1 4.42Å; I44-L98 HydrophobicContact CD1-CD2 3.84Å; I44-L98 HydrophobicContact CD1-CG 3.97Å; I44-K124 PolarHBondContact O-NZ 3.42Å; I44-L125 HydrophobicContact CG1-CB 4.39Å; I44-F128 HydrophobicContact CD1-CZ 4.43Å; I44-F128 HydrophobicContact CG2-CE2 3.66Å; I44-F128 HydrophobicContact CG2-CZ 3.75Å |
| 45 | V | 97.4 | Very high | 95.4 | Very high | 5 Ų | 5 | 58.1 Ų | 58.1 | 3% | 0.03 | 31% | 0.312 | C | S | . | . | P | Polyproline II helix | trans | -65.5 | 118.7 | 174.8 | 173.9 | 0 | 0 | 0 | 0 | 109 | M61 E62 L114 K124 L125 A126 | V45-M61 HydrophobicContact CG1-CB 3.9Å; V45-M61 HydrophobicContact CG1-CG 4.27Å; V45-M61 HydrophobicContact CG1-SD 4.08Å; V45-E62 HydrophobicContact CG1-CG 4.07Å; V45-L114 HydrophobicContact CG2-CD1 3.97Å; V45-L114 HydrophobicContact CG2-CG 4.5Å; V45-K124 HydrophobicContact CG2-CB 3.77Å; V45-L125 WeakPolarHBondContact CG2-O 3.18Å; V45-L125 PolarHBondContact N-O 3.26Å; V45-A126 HydrophobicContact CB-CB 4.29Å; V45-A126 HydrophobicContact CG2-CB 3.69Å |
| 46 | R | 96.3 | Very high | 95.3 | Very high | 87 Ų | 87 | 60.5 Ų | 60.5 | 33% | 0.328 | 32% | 0.322 | S | S | . | . | P | Polyproline II helix | trans | -74.3 | 125.2 | 177.7 | -174.8 | 178.2 | -176.3 | 146.3 | 13.9 | 110.7 | E40 I44 L48 M61 E62 | E40-R46 IonicContact OE1-CZ 3.55Å; E40-R46 IonicContact OE1-NH1 3.45Å; E40-R46 PolarHBondContact OE1-NH1 3.32Å; E40-R46 IonicContact OE1-NH2 2.59Å; E40-R46 PolarHBondContact OE1-NH2 3.37Å; E40-R46 VanDerWaalsContact OE1-NH2 3.09Å; E40-R46 IonicContact OE2-CZ 2.72Å; E40-R46 IonicContact OE2-NH2 2.79Å; E40-R46 PolarHBondContact OE2-NH2 2.9Å; I44-R46 PolarHBondContact O-N 3.09Å; R46-L48 HydrophobicContact CG-CD2 4.09Å; R46-L48 PolarHBondContact O-N 3.32Å; R46-M61 WeakPolarHBondContact O-CA 3.36Å; R46-E62 HydrophobicContact CB-CG 4.29Å; R46-E62 WeakPolarHBondContact CB-OE1 3.39Å; R46-E62 PolarHBondContact N-OE1 2.97Å; R46-E62 PolarHBondContact O-N 3.45Å |
| 47 | M | 95.4 | Very high | 95.3 | Very high | 22 Ų | 22 | 60.9 Ų | 60.9 | 11% | 0.108 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 119.8 | 159.2 | -170.4 | -170.9 | 77.9 | 0 | 0 | 108.6 | L36 K37 F50 I59 | L36-M47 HydrophobicContact CB-CB 3.97Å; L36-M47 HydrophobicContact CB-SD 4.01Å; K37-M47 HydrophobicContact CB-CE 4.28Å; K37-M47 HydrophobicContact CD-CE 4.46Å; K37-M47 HydrophobicContact CG-CE 3.32Å; M47-F50 HydrophobicContact CE-CD1 4.11Å; M47-F50 HydrophobicContact SD-CB 4.15Å; M47-I59 HydrophobicContact CG-CG2 3.74Å; M47-I59 HydrophobicContact SD-CG2 3.9Å |
| 48 | L | 92.8 | Very high | 95.2 | Very high | 71 Ų | 71 | 57.9 Ų | 57.9 | 37% | 0.372 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | -38.7 | -179.9 | -58.7 | 176.8 | 0 | 0 | 0 | 111.2 | V11 R46 I60 | V11-L48 HydrophobicContact CB-CD1 4.44Å; V11-L48 HydrophobicContact CG1-CD1 3.58Å; R46-L48 HydrophobicContact CG-CD2 4.09Å; R46-L48 PolarHBondContact O-N 3.32Å; L48-I60 HydrophobicContact CB-CG2 4.31Å; L48-I60 PolarHBondContact N-O 3.09Å |
| 49 | D | 92.4 | Very high | 95.2 | Very high | 91 Ų | 91 | 55.4 Ų | 55.4 | 49% | 0.487 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.9 | 170 | -179.5 | -155.3 | -7.9 | 0 | 0 | 0 | 109.9 | I60 | D49-I60 HydrophobicContact CB-CB 4.18Å; D49-I60 HydrophobicContact CB-CD1 4.23Å; D49-I60 PolarHBondContact N-O 3.46Å; D49-I60 WeakPolarHBondContact O-CA 3.42Å; D49-I60 WeakPolarHBondContact O-CB 3.4Å; D49-I60 PolarHBondContact O-N 3.12Å; D49-I60 VanDerWaalsContact O-O 3.1Å |
| 50 | F | 93.9 | Very high | 95 | Very high | 46 Ų | 46 | 56.4 Ų | 56.4 | 20% | 0.202 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 147 | 169 | 78 | -66.2 | 0 | 0 | 0 | 109.7 | I33 M47 W52 Y58 | I33-F50 HydrophobicContact CD1-CD2 4.11Å; I33-F50 HydrophobicContact CG2-CD1 4.35Å; I33-F50 HydrophobicContact CG2-CD2 3.9Å; I33-F50 HydrophobicContact CG2-CE2 4.08Å; I33-F50 HydrophobicContact CG2-CG 4.06Å; I33-F50 HydrophobicContact CG2-CZ 4.44Å; M47-F50 HydrophobicContact CE-CD1 4.11Å; M47-F50 HydrophobicContact SD-CB 4.15Å; F50-W52 HydrophobicContact CD2-CE3 4.3Å; F50-W52 HydrophobicContact CD2-CZ3 4.29Å; F50-W52 AromaticContact CE2-CE3 3.94Å; F50-W52 HydrophobicContact CE2-CE3 3.94Å; F50-W52 AromaticContact CE2-CZ3 3.55Å; F50-W52 HydrophobicContact CE2-CZ3 3.55Å; F50-W52 HydrophobicContact CZ-CZ3 4.01Å; F50-Y58 CarbonylContact C-O 3.6Å; F50-Y58 WeakPolarHBondContact CA-O 3.45Å; F50-Y58 WeakPolarHBondContact CB-O 3.04Å |
| 51 | T | 93.3 | Very high | 94.9 | Very high | 73 Ų | 73 | 53.3 Ų | 53.3 | 45% | 0.448 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 173.5 | 177.8 | -171.7 | 0 | 0 | 0 | 0 | 110.5 | Y58 I60 | T51-Y58 HydrophobicContact CG2-CD2 3.96Å; T51-Y58 HydrophobicContact CG2-CG 4.32Å; T51-Y58 PolarHBondContact N-O 3.19Å; T51-Y58 PolarHBondContact O-N 3.4Å; T51-I60 HydrophobicContact CG2-CD1 4.24Å |
| 52 | W | 95.2 | Very high | 94.7 | Very high | 156 Ų | 156 | 54 Ų | 54 | 59% | 0.591 | 28% | 0.284 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 155.9 | 179.2 | 64.8 | 85.5 | 0 | 0 | 0 | 111.6 | F50 F56 V57 | F50-W52 HydrophobicContact CD2-CE3 4.3Å; F50-W52 HydrophobicContact CD2-CZ3 4.29Å; F50-W52 AromaticContact CE2-CE3 3.94Å; F50-W52 HydrophobicContact CE2-CE3 3.94Å; F50-W52 AromaticContact CE2-CZ3 3.55Å; F50-W52 HydrophobicContact CE2-CZ3 3.55Å; F50-W52 HydrophobicContact CZ-CZ3 4.01Å; W52-F56 CarbonylContact C-O 3.58Å; W52-F56 VanDerWaalsContact CA-O 3.23Å; W52-F56 WeakPolarHBondContact CA-O 3.35Å; W52-F56 WeakPolarHBondContact CB-O 3.35Å; W52-V57 HydrophobicContact CB-CG2 4.13Å |
| 53 | D | 94.4 | Very high | 94.5 | Very high | 67 Ų | 67 | 54.2 Ų | 54.2 | 36% | 0.358 | 28% | 0.277 | S | S | . | . | trans | -125.3 | -162.1 | 171.2 | 63 | 34.9 | 0 | 0 | 0 | 110.4 | K18 S55 F56 Y58 | K18-D53 WeakPolarHBondContact CE-O 3.37Å; K18-D53 PolarHBondContact NZ-O 3.3Å; D53-S55 PolarHBondContact O-N 3.11Å; D53-S55 WeakPolarHBondContact OD1-CA 3.33Å; D53-S55 PolarHBondContact OD1-N 3.38Å; D53-F56 PolarHBondContact N-O 2.91Å; D53-F56 PolarHBondContact OD1-N 3.23Å; D53-Y58 VanDerWaalsContact OD2-CE2 3.23Å; D53-Y58 WeakPolarHBondContact OD2-CE2 3.39Å; D53-Y58 PolarHBondContact OD2-OH 3.34Å | ||
| 54 | A | 94.1 | Very high | 94.2 | Very high | 98 Ų | 98 | 53.7 Ų | 53.7 | 81% | 0.81 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -62.6 | -27.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 55 | S | 93.9 | Very high | 93.8 | Very high | 64 Ų | 64 | 55.7 Ų | 55.7 | 45% | 0.448 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -116 | -29.3 | -168.1 | -59.6 | 0 | 0 | 0 | 0 | 113.8 | K18 D53 | K18-S55 WeakPolarHBondContact CB-O 3.45Å; K18-S55 PolarHBondContact N-O 3.19Å; D53-S55 PolarHBondContact O-N 3.11Å; D53-S55 WeakPolarHBondContact OD1-CA 3.33Å; D53-S55 PolarHBondContact OD1-N 3.38Å |
| 56 | F | 94.7 | Very high | 93.5 | Very high | 63 Ų | 63 | 56 Ų | 56 | 28% | 0.276 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 153.3 | -170.7 | -64.7 | -86.7 | 0 | 0 | 0 | 113.4 | I16 M17 K18 W52 D53 Y58 | I16-F56 CarbonylContact O-C 3.53Å; I16-F56 VanDerWaalsContact O-CA 3.25Å; I16-F56 WeakPolarHBondContact O-CA 3.42Å; M17-F56 HydrophobicContact CB-CD1 4.04Å; M17-F56 HydrophobicContact CB-CE1 3.74Å; M17-F56 HydrophobicContact CE-CE1 3.78Å; M17-F56 HydrophobicContact CE-CZ 3.6Å; M17-F56 HydrophobicContact CG-CE1 4.06Å; M17-F56 HydrophobicContact CG-CZ 4.42Å; K18-F56 WeakPolarHBondContact CE-O 3.49Å; W52-F56 CarbonylContact C-O 3.58Å; W52-F56 VanDerWaalsContact CA-O 3.23Å; W52-F56 WeakPolarHBondContact CA-O 3.35Å; W52-F56 WeakPolarHBondContact CB-O 3.35Å; D53-F56 PolarHBondContact N-O 2.91Å; D53-F56 PolarHBondContact OD1-N 3.23Å; F56-Y58 HydrophobicContact CB-CD2 4.39Å; F56-Y58 HydrophobicContact CB-CE1 4.02Å; F56-Y58 HydrophobicContact CB-CE2 3.71Å; F56-Y58 VanDerWaalsContact CB-CZ 3.49Å |
| 57 | V | 93.9 | Very high | 93.4 | Very high | 16 Ų | 16 | 52.9 Ų | 52.9 | 10% | 0.097 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 135.4 | 160 | -179.1 | 0 | 0 | 0 | 0 | 107.7 | I16 K18 L29 I33 W52 | I16-V57 HydrophobicContact CB-CB 4.49Å; I16-V57 PolarHBondContact N-O 3.01Å; I16-V57 PolarHBondContact O-N 2.86Å; K18-V57 HydrophobicContact CD-CG2 4.45Å; K18-V57 HydrophobicContact CG-CG2 4.09Å; L29-V57 HydrophobicContact CD2-CB 4.04Å; L29-V57 HydrophobicContact CD2-CG1 4.21Å; L29-V57 HydrophobicContact CD2-CG2 3.92Å; I33-V57 HydrophobicContact CD1-CG1 4Å; W52-V57 HydrophobicContact CB-CG2 4.13Å |
| 58 | Y | 94.3 | Very high | 93.4 | Very high | 59 Ų | 59 | 53.4 Ų | 53.4 | 23% | 0.231 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 120.5 | -178.7 | -54.2 | -88.2 | 0 | 0 | 0 | 108.9 | I13 K14 C15 F50 T51 D53 F56 | I13-Y58 HydrophobicContact CG2-CD1 4.13Å; K14-Y58 WeakPolarHBondContact O-CA 3.39Å; C15-Y58 HydrophobicContact CB-CD1 4.39Å; C15-Y58 VanDerWaalsContact SG-CD1 3.59Å; F50-Y58 CarbonylContact C-O 3.6Å; F50-Y58 WeakPolarHBondContact CA-O 3.45Å; F50-Y58 WeakPolarHBondContact CB-O 3.04Å; T51-Y58 HydrophobicContact CG2-CD2 3.96Å; T51-Y58 HydrophobicContact CG2-CG 4.32Å; T51-Y58 PolarHBondContact N-O 3.19Å; T51-Y58 PolarHBondContact O-N 3.4Å; D53-Y58 VanDerWaalsContact OD2-CE2 3.23Å; D53-Y58 WeakPolarHBondContact OD2-CE2 3.39Å; D53-Y58 PolarHBondContact OD2-OH 3.34Å; F56-Y58 HydrophobicContact CB-CD2 4.39Å; F56-Y58 HydrophobicContact CB-CE1 4.02Å; F56-Y58 HydrophobicContact CB-CE2 3.71Å; F56-Y58 VanDerWaalsContact CB-CZ 3.49Å |
| 59 | I | 93.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 113.1 | 172.8 | -53.9 | 177.4 | 0 | 0 | 0 | 107.5 | I13 K14 I16 L29 I33 L36 M47 M61 | I13-I59 WeakPolarHBondContact CA-O 3.31Å; K14-I59 HydrophobicContact CB-CB 4.3Å; K14-I59 PolarHBondContact N-O 3.31Å; K14-I59 PolarHBondContact O-N 2.88Å; I16-I59 HydrophobicContact CD1-CD1 3.95Å; I16-I59 HydrophobicContact CD1-CG1 4.45Å; L29-I59 HydrophobicContact CD1-CD1 3.99Å; I33-I59 HydrophobicContact CD1-CD1 4.46Å; I33-I59 HydrophobicContact CG1-CD1 3.92Å; I33-I59 HydrophobicContact CG1-CG1 4.27Å; L36-I59 HydrophobicContact CD1-CG2 4.26Å; M47-I59 HydrophobicContact CG-CG2 3.74Å; M47-I59 HydrophobicContact SD-CG2 3.9Å; I59-M61 HydrophobicContact CG2-CE 4.5Å; I59-M61 HydrophobicContact CG2-CG 4Å; I59-M61 HydrophobicContact CG2-SD 4.21Å |
| 60 | I | 93.7 | Very high | 93.7 | Very high | 29 Ų | 29 | 46 Ų | 46 | 15% | 0.149 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 122.3 | -177.7 | -58.6 | 85.4 | 0 | 0 | 0 | 108.3 | V11 I13 L48 D49 T51 | V11-I60 HydrophobicContact CB-CG2 4.02Å; V11-I60 HydrophobicContact CG1-CG2 4.32Å; V11-I60 HydrophobicContact CG2-CG2 3.93Å; I13-I60 HydrophobicContact CG1-CG1 4.34Å; L48-I60 HydrophobicContact CB-CG2 4.31Å; L48-I60 PolarHBondContact N-O 3.09Å; D49-I60 HydrophobicContact CB-CB 4.18Å; D49-I60 HydrophobicContact CB-CD1 4.23Å; D49-I60 PolarHBondContact N-O 3.46Å; D49-I60 WeakPolarHBondContact O-CA 3.42Å; D49-I60 WeakPolarHBondContact O-CB 3.4Å; D49-I60 PolarHBondContact O-N 3.12Å; D49-I60 VanDerWaalsContact O-O 3.1Å; T51-I60 HydrophobicContact CG2-CD1 4.24Å |
| 61 | M | 94.3 | Very high | 93.8 | Very high | 31 Ų | 31 | 50.9 Ų | 50.9 | 15% | 0.153 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 160.4 | -173 | -65.4 | 174.1 | -73.1 | 0 | 0 | 111.7 | V11 A12 K14 V45 R46 I59 | V11-M61 WeakPolarHBondContact CA-O 3.49Å; V11-M61 WeakPolarHBondContact CB-O 3.49Å; A12-M61 HydrophobicContact CB-CB 4.46Å; A12-M61 PolarHBondContact N-O 3.41Å; A12-M61 PolarHBondContact O-N 3.16Å; K14-M61 HydrophobicContact CB-CE 3.68Å; V45-M61 HydrophobicContact CG1-CB 3.9Å; V45-M61 HydrophobicContact CG1-CG 4.27Å; V45-M61 HydrophobicContact CG1-SD 4.08Å; R46-M61 WeakPolarHBondContact O-CA 3.36Å; I59-M61 HydrophobicContact CG2-CE 4.5Å; I59-M61 HydrophobicContact CG2-CG 4Å; I59-M61 HydrophobicContact CG2-SD 4.21Å |
| 62 | E | 92.3 | Very high | 93.7 | Very high | 51 Ų | 51 | 48.4 Ų | 48.4 | 24% | 0.238 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.5 | 142.9 | 167.7 | 69.7 | 178.9 | 135.1 | 0 | 0 | 111.1 | V45 R46 K124 | V45-E62 HydrophobicContact CG1-CG 4.07Å; R46-E62 HydrophobicContact CB-CG 4.29Å; R46-E62 WeakPolarHBondContact CB-OE1 3.39Å; R46-E62 PolarHBondContact N-OE1 2.97Å; R46-E62 PolarHBondContact O-N 3.45Å; E62-K124 WeakPolarHBondContact OE1-CE 3.49Å; E62-K124 IonicContact OE1-NZ 3.52Å; E62-K124 PolarHBondContact OE1-NZ 3.04Å; E62-K124 WeakPolarHBondContact OE2-CE 3.43Å; E62-K124 IonicContact OE2-NZ 3.02Å; E62-K124 PolarHBondContact OE2-NZ 3.36Å; E62-K124 VanDerWaalsContact OE2-NZ 3.08Å |
| 63 | F | 92.3 | Very high | 93.6 | Very high | 86 Ų | 86 | 41.3 Ų | 41.3 | 38% | 0.377 | 23% | 0.234 | S | C | . | . | trans | -87.5 | 130.3 | 179 | 178.6 | -112.9 | 0 | 0 | 0 | 111.5 | M1 P10 A12 G65 | M1-F63 HydrophobicContact CE-CD2 4.35Å; M1-F63 HydrophobicContact CE-CE1 4.1Å; M1-F63 HydrophobicContact CE-CE2 3.68Å; M1-F63 HydrophobicContact CE-CZ 3.52Å; P10-F63 HydrophobicContact CB-CB 4.36Å; P10-F63 HydrophobicContact CB-CD1 4.23Å; P10-F63 HydrophobicContact CB-CG 4.44Å; P10-F63 HydrophobicContact CG-CB 4.42Å; P10-F63 HydrophobicContact CG-CD1 3.97Å; A12-F63 HydrophobicContact CB-CD2 4.4Å; F63-G65 VanDerWaalsContact CE1-CA 3.47Å | ||
| 64 | C | 92.4 | Very high | 93.5 | Very high | 11 Ų | 11 | 45.3 Ų | 45.3 | 7% | 0.074 | 24% | 0.244 | C | C | . | . | trans | -106.5 | 100.8 | 174.4 | -67.1 | 0 | 0 | 0 | 0 | 110 | G66 L114 L115 | C64-G66 VanDerWaalsContact C-N 3.3Å; C64-G66 PolarHBondContact O-N 3.33Å; C64-L114 HydrophobicContact CB-CB 3.7Å; C64-L114 HydrophobicContact CB-CD1 4Å; C64-L114 HydrophobicContact CB-CG 4.5Å; C64-L115 CarbonylContact C-O 3.41Å; C64-L115 WeakPolarHBondContact CB-O 3.49Å | ||
| 65 | G | 89.2 | Confident | 93.3 | Very high | 43 Ų | 43 | 46.8 Ų | 46.8 | 44% | 0.443 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -5 | -170.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | F63 T116 | F63-G65 VanDerWaalsContact CE1-CA 3.47Å; G65-T116 PolarHBondContact N-O 3.18Å |
| 66 | G | 90.3 | Very high | 93 | Very high | 12 Ų | 12 | 48.9 Ų | 48.9 | 12% | 0.124 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -4.7 | 178 | 0 | 0 | 0 | 0 | 0 | 114.7 | C64 L115 | C64-G66 VanDerWaalsContact C-N 3.3Å; C64-G66 PolarHBondContact O-N 3.33Å; G66-L115 WeakPolarHBondContact CA-O 3.44Å; G66-L115 PolarHBondContact N-O 2.9Å |
| 67 | G | 94.2 | Very high | 92.7 | Very high | 21 Ų | 21 | 55.1 Ų | 55.1 | 22% | 0.216 | 26% | 0.26 | C | S | . | . | trans | 73.2 | -164.1 | -171.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L114 L115 | G67-L114 CarbonylContact O-C 3.54Å; G67-L114 WeakPolarHBondContact O-CA 3.47Å; G67-L115 PolarHBondContact O-N 3.13Å | ||
| 68 | D | 96.3 | Very high | 92.6 | Very high | 34 Ų | 34 | 61 Ų | 61 | 18% | 0.182 | 28% | 0.28 | C | S | . | . | B | Isolated β-bridge | trans | -91.7 | 158 | 177.4 | 66.5 | 96 | 0 | 0 | 0 | 113.1 | G70 R71 F72 I113 L114 | D68-G70 PolarHBondContact O-N 3.31Å; D68-G70 WeakPolarHBondContact OD1-CA 3.46Å; D68-G70 PolarHBondContact OD1-N 3.45Å; D68-R71 PolarHBondContact O-N 3.14Å; D68-R71 PolarHBondContact OD1-N 3.28Å; D68-R71 WeakPolarHBondContact OD2-CB 3.29Å; D68-F72 PolarHBondContact O-N 2.8Å; D68-I113 CarbonylContact C-O 3.49Å; D68-I113 WeakPolarHBondContact CA-O 3.21Å; D68-L114 HydrophobicContact CB-CD2 3.96Å |
| 69 | L | 96.4 | Very high | 92.5 | Very high | 4 Ų | 4 | 58.9 Ų | 58.9 | 2% | 0.021 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.3 | -31 | 177.7 | 179.8 | 64.3 | 0 | 0 | 0 | 111.5 | F72 L73 L79 F87 P110 I113 I172 | L69-F72 HydrophobicContact CD1-CB 4.45Å; L69-F72 HydrophobicContact CD1-CD1 4.15Å; L69-F72 CarbonylContact O-C 3.59Å; L69-F72 WeakPolarHBondContact O-CB 3.4Å; L69-F72 PolarHBondContact O-N 3.34Å; L69-L73 HydrophobicContact CD1-CG 4.25Å; L69-L73 HydrophobicContact CG-CD1 4.08Å; L69-L73 HydrophobicContact CG-CG 4.24Å; L69-L73 WeakPolarHBondContact O-CB 3.37Å; L69-L73 VanDerWaalsContact O-CG 3.29Å; L69-L73 WeakPolarHBondContact O-CG 3.46Å; L69-L73 PolarHBondContact O-N 3.04Å; L69-L79 HydrophobicContact CD1-CD1 4.25Å; L69-F87 HydrophobicContact CD1-CD2 3.96Å; L69-F87 HydrophobicContact CD1-CE2 3.69Å; L69-P110 HydrophobicContact CB-CB 4.13Å; L69-P110 WeakPolarHBondContact CB-O 3.36Å; L69-P110 HydrophobicContact CD2-CB 4.44Å; L69-P110 HydrophobicContact CG-CB 4.21Å; L69-P110 PolarHBondContact N-O 3.13Å; L69-P110 VanDerWaalsContact N-O 3.08Å; L69-I113 HydrophobicContact CB-CB 3.93Å; L69-I113 HydrophobicContact CB-CG2 3.89Å; L69-I113 HydrophobicContact CD2-CB 4.36Å; L69-I113 HydrophobicContact CD2-CD1 4.09Å; L69-I113 HydrophobicContact CD2-CG2 4.05Å; L69-I113 PolarHBondContact N-O 3.15Å; L69-I172 HydrophobicContact CD2-CG2 3.97Å |
| 70 | G | 95.5 | Very high | 92.4 | Very high | 2 Ų | 2 | 63.5 Ų | 63.5 | 2% | 0.021 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.1 | -46.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | D68 F72 L73 R74 P110 | D68-G70 PolarHBondContact O-N 3.31Å; D68-G70 WeakPolarHBondContact OD1-CA 3.46Å; D68-G70 PolarHBondContact OD1-N 3.45Å; G70-F72 VanDerWaalsContact C-N 3.31Å; G70-F72 PolarHBondContact O-N 3.23Å; G70-L73 PolarHBondContact O-N 3.35Å; G70-R74 VanDerWaalsContact C-NH1 3.32Å; G70-R74 WeakPolarHBondContact O-CG 3.39Å; G70-R74 PolarHBondContact O-N 3.48Å; G70-R74 PolarHBondContact O-NH1 3.17Å; G70-P110 VanDerWaalsContact CA-CB 3.46Å; G70-P110 VanDerWaalsContact N-CB 3.28Å; G70-P110 PolarHBondContact N-O 3.25Å |
| 71 | R | 94.3 | Very high | 92.4 | Very high | 149 Ų | 149 | 64 Ų | 64 | 56% | 0.562 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -60.7 | -42.1 | 171.2 | -177.4 | 178.9 | 177.9 | 174.7 | -0.6 | 111.4 | D68 R74 L75 | D68-R71 PolarHBondContact O-N 3.14Å; D68-R71 PolarHBondContact OD1-N 3.28Å; D68-R71 WeakPolarHBondContact OD2-CB 3.29Å; R71-R74 PolarHBondContact O-N 3.25Å; R71-L75 HydrophobicContact CG-CD1 4.44Å; R71-L75 WeakPolarHBondContact O-CG 3.49Å; R71-L75 PolarHBondContact O-N 3.29Å |
| 72 | F | 93 | Very high | 92.2 | Very high | 21 Ų | 21 | 65.3 Ų | 65.3 | 9% | 0.092 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.1 | -43.2 | 178.5 | -169.3 | -101.2 | 0 | 0 | 0 | 112.2 | D68 L69 G70 L75 K76 L79 L83 F87 L115 P121 | D68-F72 PolarHBondContact O-N 2.8Å; L69-F72 HydrophobicContact CD1-CB 4.45Å; L69-F72 HydrophobicContact CD1-CD1 4.15Å; L69-F72 CarbonylContact O-C 3.59Å; L69-F72 WeakPolarHBondContact O-CB 3.4Å; L69-F72 PolarHBondContact O-N 3.34Å; G70-F72 VanDerWaalsContact C-N 3.31Å; G70-F72 PolarHBondContact O-N 3.23Å; F72-L75 PolarHBondContact O-N 2.94Å; F72-K76 HydrophobicContact CD1-CG 4.35Å; F72-K76 HydrophobicContact CE1-CG 4.03Å; F72-K76 HydrophobicContact CE2-CG 4.48Å; F72-K76 HydrophobicContact CZ-CG 4.1Å; F72-K76 PolarHBondContact O-N 2.96Å; F72-L79 HydrophobicContact CD1-CD1 4.33Å; F72-L79 HydrophobicContact CD1-CD2 3.87Å; F72-L79 HydrophobicContact CE1-CD1 4.24Å; F72-L79 HydrophobicContact CE1-CD2 3.54Å; F72-L83 HydrophobicContact CE1-CD2 3.95Å; F72-L83 HydrophobicContact CZ-CD2 4.17Å; F72-F87 HydrophobicContact CD1-CE2 4.38Å; F72-F87 HydrophobicContact CE1-CE2 4.18Å; F72-F87 HydrophobicContact CE1-CZ 4.36Å; F72-L115 HydrophobicContact CB-CD1 3.76Å; F72-L115 HydrophobicContact CD1-CD1 4.18Å; F72-L115 HydrophobicContact CD2-CD1 3.69Å; F72-L115 HydrophobicContact CE2-CD1 4.3Å; F72-L115 HydrophobicContact CG-CD1 3.62Å; F72-P121 HydrophobicContact CZ-CG 4.43Å |
| 73 | L | 92.6 | Very high | 92.2 | Very high | 7 Ų | 7 | 64.5 Ų | 64.5 | 4% | 0.037 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.8 | -41.5 | 176.1 | -73.6 | 171.3 | 0 | 0 | 0 | 112.3 | L69 G70 L75 K76 R77 L79 P110 E175 C176 | L69-L73 HydrophobicContact CD1-CG 4.25Å; L69-L73 HydrophobicContact CG-CD1 4.08Å; L69-L73 HydrophobicContact CG-CG 4.24Å; L69-L73 WeakPolarHBondContact O-CB 3.37Å; L69-L73 VanDerWaalsContact O-CG 3.29Å; L69-L73 WeakPolarHBondContact O-CG 3.46Å; L69-L73 PolarHBondContact O-N 3.04Å; G70-L73 PolarHBondContact O-N 3.35Å; L73-L75 PolarHBondContact O-N 3.1Å; L73-K76 PolarHBondContact O-N 3.01Å; L73-R77 VanDerWaalsContact O-CA 3.26Å; L73-R77 WeakPolarHBondContact O-CA 3.49Å; L73-R77 PolarHBondContact O-N 3.06Å; L73-L79 HydrophobicContact CD2-CD1 3.82Å; L73-L79 HydrophobicContact CD2-CD2 4.15Å; L73-L79 HydrophobicContact CD2-CG 3.67Å; L73-P110 HydrophobicContact CD1-CB 4.2Å; L73-P110 HydrophobicContact CD1-CG 4.17Å; L73-E175 HydrophobicContact CD1-CG 4.07Å; L73-C176 HydrophobicContact CD2-CB 4.3Å |
| 74 | R | 92.1 | Very high | 92.4 | Very high | 150 Ų | 150 | 60.6 Ų | 60.6 | 57% | 0.566 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -58.4 | -37.2 | 174.8 | -73.5 | -169.2 | -60.5 | -81.6 | 5.7 | 112.7 | G70 R71 | G70-R74 VanDerWaalsContact C-NH1 3.32Å; G70-R74 WeakPolarHBondContact O-CG 3.39Å; G70-R74 PolarHBondContact O-N 3.48Å; G70-R74 PolarHBondContact O-NH1 3.17Å; R71-R74 PolarHBondContact O-N 3.25Å |
| 75 | L | 89.8 | Confident | 92.6 | Very high | 129 Ų | 129 | 61.9 Ų | 61.9 | 68% | 0.675 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -75.4 | -42.9 | 178.8 | -70 | 169.3 | 0 | 0 | 0 | 112.6 | R71 F72 L73 | R71-L75 HydrophobicContact CG-CD1 4.44Å; R71-L75 WeakPolarHBondContact O-CG 3.49Å; R71-L75 PolarHBondContact O-N 3.29Å; F72-L75 PolarHBondContact O-N 2.94Å; L73-L75 PolarHBondContact O-N 3.1Å |
| 76 | K | 87.8 | Confident | 92.9 | Very high | 108 Ų | 108 | 62 Ų | 62 | 47% | 0.47 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -86.8 | -16 | -176 | -66.9 | -66.9 | -175 | 176.4 | 0 | 114.1 | F72 L73 R78 L79 | F72-K76 HydrophobicContact CD1-CG 4.35Å; F72-K76 HydrophobicContact CE1-CG 4.03Å; F72-K76 HydrophobicContact CE2-CG 4.48Å; F72-K76 HydrophobicContact CZ-CG 4.1Å; F72-K76 PolarHBondContact O-N 2.96Å; L73-K76 PolarHBondContact O-N 3.01Å; K76-R78 PolarHBondContact O-N 3.45Å; K76-L79 HydrophobicContact CB-CD2 3.68Å; K76-L79 HydrophobicContact CG-CD2 4.03Å |
| 77 | R | 89.1 | Confident | 93.2 | Very high | 194 Ų | 194 | 61.9 Ų | 61.9 | 73% | 0.732 | 28% | 0.275 | S | S | * | . | S | Bend | trans | 64.1 | -57.6 | -169.3 | -57.5 | -63.5 | -172.2 | 170.2 | -0.8 | 113.3 | L73 G179 | L73-R77 VanDerWaalsContact O-CA 3.26Å; L73-R77 WeakPolarHBondContact O-CA 3.49Å; L73-R77 PolarHBondContact O-N 3.06Å; R77-G179 WeakPolarHBondContact O-CA 3.42Å |
| 78 | R | 91.2 | Very high | 93.4 | Very high | 139 Ų | 139 | 61.2 Ų | 61.2 | 53% | 0.525 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -138.4 | 157.7 | 172.9 | 62.3 | -178.5 | 179.7 | -175.3 | 1.5 | 109.9 | K76 E209 | K76-R78 PolarHBondContact O-N 3.45Å; R78-E209 IonicContact CZ-OE1 3.02Å; R78-E209 IonicContact NH1-OE1 3.8Å; R78-E209 PolarHBondContact NH1-OE1 3.33Å; R78-E209 IonicContact NH1-OE2 2.69Å; R78-E209 PolarHBondContact NH1-OE2 2.96Å |
| 79 | L | 92.6 | Very high | 93.5 | Very high | 15 Ų | 15 | 60 Ų | 60 | 8% | 0.079 | 26% | 0.26 | C | S | . | . | trans | -106 | 148.4 | -179.1 | -55.9 | -172.1 | 0 | 0 | 0 | 110.6 | L69 F72 L73 K76 L83 V84 F87 C176 | L69-L79 HydrophobicContact CD1-CD1 4.25Å; F72-L79 HydrophobicContact CD1-CD1 4.33Å; F72-L79 HydrophobicContact CD1-CD2 3.87Å; F72-L79 HydrophobicContact CE1-CD1 4.24Å; F72-L79 HydrophobicContact CE1-CD2 3.54Å; L73-L79 HydrophobicContact CD2-CD1 3.82Å; L73-L79 HydrophobicContact CD2-CD2 4.15Å; L73-L79 HydrophobicContact CD2-CG 3.67Å; K76-L79 HydrophobicContact CB-CD2 3.68Å; K76-L79 HydrophobicContact CG-CD2 4.03Å; L79-L83 HydrophobicContact CD2-CD2 4.36Å; L79-V84 HydrophobicContact CB-CG2 3.6Å; L79-V84 HydrophobicContact CD1-CG2 4.44Å; L79-F87 HydrophobicContact CD1-CD2 4.09Å; L79-F87 HydrophobicContact CD1-CE2 3.94Å; L79-C176 HydrophobicContact CD1-CB 4.21Å; L79-C176 HydrophobicContact CG-CB 4.45Å; L79-C176 PolarHBondContact N-O 3.35Å | ||
| 80 | D | 91.7 | Very high | 93.6 | Very high | 98 Ų | 98 | 61.4 Ų | 61.4 | 52% | 0.524 | 27% | 0.267 | S | S | . | . | trans | -67.8 | 147.6 | 170.1 | 64.5 | 64.6 | 0 | 0 | 0 | 110.7 | L82 L83 V84 | D80-L82 PolarHBondContact O-N 3.41Å; D80-L82 PolarHBondContact OD1-N 3.43Å; D80-L83 PolarHBondContact O-N 3.45Å; D80-L83 VanDerWaalsContact O-N 3.16Å; D80-L83 WeakPolarHBondContact OD1-CB 3.38Å; D80-L83 PolarHBondContact OD1-N 3.29Å; D80-V84 WeakPolarHBondContact O-CG2 3.3Å; D80-V84 PolarHBondContact O-N 3.46Å | ||
| 81 | E | 93.7 | Very high | 93.7 | Very high | 39 Ų | 39 | 61.5 Ų | 61.5 | 18% | 0.182 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62 | -29.7 | -173.1 | -166.6 | 175.6 | 144.9 | 0 | 0 | 112.6 | V84 Q85 I210 S211 C214 F240 | E81-V84 PolarHBondContact O-N 2.72Å; E81-Q85 WeakPolarHBondContact O-CB 3.22Å; E81-Q85 PolarHBondContact O-N 3.06Å; E81-I210 WeakPolarHBondContact OE2-CA 3.5Å; E81-S211 WeakPolarHBondContact OE1-CB 3.44Å; E81-S211 PolarHBondContact OE1-N 3.25Å; E81-S211 PolarHBondContact OE1-OG 3.42Å; E81-S211 PolarHBondContact OE2-N 3.19Å; E81-C214 HydrophobicContact CG-CB 4.41Å; E81-C214 VanDerWaalsContact OE1-CB 3.31Å; E81-C214 WeakPolarHBondContact OE1-CB 3.31Å; E81-F240 HydrophobicContact CG-CE2 3.64Å; E81-F240 HydrophobicContact CG-CZ 3.59Å; E81-F240 WeakPolarHBondContact OE1-CE2 3.49Å |
| 82 | L | 90.4 | Very high | 93.9 | Very high | 58 Ų | 58 | 54.4 Ų | 54.4 | 30% | 0.304 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -67.9 | -42.9 | 177.2 | -178.8 | 63.1 | 0 | 0 | 0 | 111.9 | D80 R86 M354 | D80-L82 PolarHBondContact O-N 3.41Å; D80-L82 PolarHBondContact OD1-N 3.43Å; L82-R86 WeakPolarHBondContact O-CD 3.31Å; L82-R86 VanDerWaalsContact O-CG 3.25Å; L82-R86 WeakPolarHBondContact O-CG 3.46Å; L82-R86 PolarHBondContact O-N 3.29Å; L82-R86 VanDerWaalsContact O-N 3.08Å; L82-M354 HydrophobicContact CB-SD 3.98Å; L82-M354 HydrophobicContact CD1-SD 4.29Å; L82-M354 HydrophobicContact CD2-SD 4.41Å; L82-M354 HydrophobicContact CG-SD 4.46Å |
| 83 | L | 92.1 | Very high | 94.2 | Very high | 35 Ų | 35 | 55.7 Ų | 55.7 | 18% | 0.183 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -67.8 | -40.2 | 174.7 | -178.3 | 60.1 | 0 | 0 | 0 | 110.5 | F72 L79 D80 R86 F87 | F72-L83 HydrophobicContact CE1-CD2 3.95Å; F72-L83 HydrophobicContact CZ-CD2 4.17Å; L79-L83 HydrophobicContact CD2-CD2 4.36Å; D80-L83 PolarHBondContact O-N 3.45Å; D80-L83 VanDerWaalsContact O-N 3.16Å; D80-L83 WeakPolarHBondContact OD1-CB 3.38Å; D80-L83 PolarHBondContact OD1-N 3.29Å; L83-R86 PolarHBondContact O-N 3.39Å; L83-F87 HydrophobicContact CD1-CD1 4.16Å; L83-F87 HydrophobicContact CD1-CE1 3.68Å; L83-F87 HydrophobicContact CD1-CE2 4.26Å; L83-F87 HydrophobicContact CD1-CZ 3.74Å; L83-F87 HydrophobicContact CD2-CE2 4.39Å; L83-F87 HydrophobicContact CD2-CZ 4.36Å; L83-F87 HydrophobicContact CG-CD2 4.45Å; L83-F87 HydrophobicContact CG-CE1 4.37Å; L83-F87 HydrophobicContact CG-CE2 4.1Å; L83-F87 HydrophobicContact CG-CZ 4.07Å; L83-F87 PolarHBondContact O-N 3.14Å |
| 84 | V | 96.3 | Very high | 94.4 | Very high | 3 Ų | 3 | 55.4 Ų | 55.4 | 2% | 0.018 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.3 | -48.2 | 174 | 172.3 | 0 | 0 | 0 | 0 | 111 | L79 D80 E81 R86 F87 L88 L173 C176 L177 F240 | L79-V84 HydrophobicContact CB-CG2 3.6Å; L79-V84 HydrophobicContact CD1-CG2 4.44Å; D80-V84 WeakPolarHBondContact O-CG2 3.3Å; D80-V84 PolarHBondContact O-N 3.46Å; E81-V84 PolarHBondContact O-N 2.72Å; V84-R86 VanDerWaalsContact C-N 3.3Å; V84-R86 PolarHBondContact O-N 3.4Å; V84-F87 PolarHBondContact O-N 2.71Å; V84-L88 HydrophobicContact CG1-CD1 4.29Å; V84-L88 HydrophobicContact CG1-CG 4.45Å; V84-L88 WeakPolarHBondContact O-CB 3.35Å; V84-L88 WeakPolarHBondContact O-CG 3.5Å; V84-L88 PolarHBondContact O-N 3.42Å; V84-L173 HydrophobicContact CG1-CD1 3.31Å; V84-C176 HydrophobicContact CG2-CB 3.82Å; V84-L177 HydrophobicContact CG1-CD2 4.37Å; V84-L177 HydrophobicContact CG2-CD2 4.29Å; V84-F240 HydrophobicContact CG1-CE1 4.42Å |
| 85 | Q | 96.6 | Very high | 94.7 | Very high | 39 Ų | 39 | 48.4 Ų | 48.4 | 18% | 0.182 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -55.7 | -47 | 175.7 | 178.4 | 178.8 | 51.8 | 0 | 0 | 110.9 | E81 F87 L88 Q89 F240 | E81-Q85 WeakPolarHBondContact O-CB 3.22Å; E81-Q85 PolarHBondContact O-N 3.06Å; Q85-F87 PolarHBondContact O-N 3.5Å; Q85-L88 PolarHBondContact O-N 3.38Å; Q85-Q89 WeakPolarHBondContact O-CG 3.5Å; Q85-Q89 PolarHBondContact O-N 2.9Å; Q85-F240 HydrophobicContact CB-CE1 4.24Å; Q85-F240 HydrophobicContact CB-CE2 4.38Å; Q85-F240 HydrophobicContact CB-CZ 3.92Å; Q85-F240 WeakPolarHBondContact CG-O 3.32Å; Q85-F240 PolarHBondContact NE2-O 2.79Å |
| 86 | R | 94.8 | Very high | 95.1 | Very high | 44 Ų | 44 | 45.9 Ų | 45.9 | 17% | 0.166 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.3 | -40.9 | -180 | -69.8 | 168.3 | 88.1 | 174.7 | 0.9 | 112.4 | L82 L83 V84 Q89 Q90 N290 | L82-R86 WeakPolarHBondContact O-CD 3.31Å; L82-R86 VanDerWaalsContact O-CG 3.25Å; L82-R86 WeakPolarHBondContact O-CG 3.46Å; L82-R86 PolarHBondContact O-N 3.29Å; L82-R86 VanDerWaalsContact O-N 3.08Å; L83-R86 PolarHBondContact O-N 3.39Å; V84-R86 VanDerWaalsContact C-N 3.3Å; V84-R86 PolarHBondContact O-N 3.4Å; R86-Q89 PolarHBondContact O-N 3.05Å; R86-Q90 VanDerWaalsContact O-CG 3.24Å; R86-Q90 WeakPolarHBondContact O-CG 3.38Å; R86-Q90 PolarHBondContact O-N 3.19Å; R86-Q90 VanDerWaalsContact O-N 3.15Å; R86-N290 VanDerWaalsContact CZ-OD1 3.24Å; R86-N290 PolarHBondContact NH1-OD1 3.47Å; R86-N290 VanDerWaalsContact NH2-CA 3.26Å; R86-N290 PolarHBondContact NH2-O 3.1Å; R86-N290 PolarHBondContact NH2-OD1 3.32Å |
| 87 | F | 97.4 | Very high | 95.5 | Very high | 10 Ų | 10 | 43.3 Ų | 43.3 | 4% | 0.044 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.3 | -41.1 | 173.9 | -75.4 | -5.5 | 0 | 0 | 0 | 111.8 | L69 F72 L79 L83 V84 Q85 Q90 L91 L115 P121 L123 | L69-F87 HydrophobicContact CD1-CD2 3.96Å; L69-F87 HydrophobicContact CD1-CE2 3.69Å; F72-F87 HydrophobicContact CD1-CE2 4.38Å; F72-F87 HydrophobicContact CE1-CE2 4.18Å; F72-F87 HydrophobicContact CE1-CZ 4.36Å; L79-F87 HydrophobicContact CD1-CD2 4.09Å; L79-F87 HydrophobicContact CD1-CE2 3.94Å; L83-F87 HydrophobicContact CD1-CD1 4.16Å; L83-F87 HydrophobicContact CD1-CE1 3.68Å; L83-F87 HydrophobicContact CD1-CE2 4.26Å; L83-F87 HydrophobicContact CD1-CZ 3.74Å; L83-F87 HydrophobicContact CD2-CE2 4.39Å; L83-F87 HydrophobicContact CD2-CZ 4.36Å; L83-F87 HydrophobicContact CG-CD2 4.45Å; L83-F87 HydrophobicContact CG-CE1 4.37Å; L83-F87 HydrophobicContact CG-CE2 4.1Å; L83-F87 HydrophobicContact CG-CZ 4.07Å; L83-F87 PolarHBondContact O-N 3.14Å; V84-F87 PolarHBondContact O-N 2.71Å; Q85-F87 PolarHBondContact O-N 3.5Å; F87-Q90 PolarHBondContact O-N 2.99Å; F87-L91 VanDerWaalsContact O-CB 3.32Å; F87-L91 WeakPolarHBondContact O-CB 3.29Å; F87-L91 PolarHBondContact O-N 3.47Å; F87-L115 HydrophobicContact CE1-CD2 4.23Å; F87-L115 HydrophobicContact CE2-CD2 4.41Å; F87-L115 HydrophobicContact CZ-CD1 4.38Å; F87-L115 HydrophobicContact CZ-CD2 3.92Å; F87-P121 HydrophobicContact CE1-CB 4.03Å; F87-P121 HydrophobicContact CE1-CG 3.93Å; F87-P121 HydrophobicContact CZ-CB 3.96Å; F87-P121 HydrophobicContact CZ-CG 3.74Å; F87-L123 HydrophobicContact CB-CD1 3.95Å; F87-L123 HydrophobicContact CG-CD1 4.27Å; F87-L123 WeakPolarHBondContact O-CD1 3.29Å |
| 88 | L | 98.4 | Very high | 95.9 | Very high | 8 Ų | 8 | 34 Ų | 34 | 4% | 0.042 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -68.6 | -35.2 | 176.6 | -74.2 | -174.2 | 0 | 0 | 0 | 113.4 | V84 Q85 L91 A92 I169 L173 L217 F240 I241 | V84-L88 HydrophobicContact CG1-CD1 4.29Å; V84-L88 HydrophobicContact CG1-CG 4.45Å; V84-L88 WeakPolarHBondContact O-CB 3.35Å; V84-L88 WeakPolarHBondContact O-CG 3.5Å; V84-L88 PolarHBondContact O-N 3.42Å; Q85-L88 PolarHBondContact O-N 3.38Å; L88-L91 HydrophobicContact CD2-CD2 4.25Å; L88-L91 PolarHBondContact O-N 2.92Å; L88-A92 WeakPolarHBondContact O-CB 3.32Å; L88-A92 PolarHBondContact O-N 3.27Å; L88-I169 HydrophobicContact CD2-CG2 3.71Å; L88-L173 HydrophobicContact CD1-CD1 3.84Å; L88-L173 HydrophobicContact CD1-CD2 4.07Å; L88-L173 HydrophobicContact CD1-CG 4.4Å; L88-L217 HydrophobicContact CD1-CD2 3.8Å; L88-F240 HydrophobicContact CD1-CD1 4.21Å; L88-F240 HydrophobicContact CD1-CE1 3.95Å; L88-I241 HydrophobicContact CB-CD1 3.66Å; L88-I241 HydrophobicContact CD1-CD1 3.96Å; L88-I241 HydrophobicContact CG-CD1 4.42Å |
| 89 | Q | 98.3 | Very high | 96.1 | Very high | 8 Ų | 8 | 30.2 Ų | 30.2 | 4% | 0.037 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -58.3 | -49.2 | 170.9 | -79.3 | 172.2 | -24.1 | 0 | 0 | 111 | Q85 R86 L91 A92 L93 I241 D242 L243 A246 | Q85-Q89 WeakPolarHBondContact O-CG 3.5Å; Q85-Q89 PolarHBondContact O-N 2.9Å; R86-Q89 PolarHBondContact O-N 3.05Å; Q89-L91 VanDerWaalsContact C-N 3.32Å; Q89-L91 PolarHBondContact O-N 3.2Å; Q89-A92 PolarHBondContact O-N 3.09Å; Q89-L93 WeakPolarHBondContact O-CG 3.48Å; Q89-L93 PolarHBondContact O-N 3.12Å; Q89-I241 HydrophobicContact CG-CG2 4.46Å; Q89-I241 WeakPolarHBondContact CG-O 3.03Å; Q89-I241 PolarHBondContact NE2-O 3.09Å; Q89-D242 PolarHBondContact NE2-O 3.29Å; Q89-L243 HydrophobicContact CB-CD2 4.45Å; Q89-L243 HydrophobicContact CG-CD2 4.46Å; Q89-A246 HydrophobicContact CB-CB 4.26Å; Q89-A246 HydrophobicContact CG-CB 4.25Å |
| 90 | Q | 98.1 | Very high | 96.2 | Very high | 34 Ų | 34 | 35.5 Ų | 35.5 | 16% | 0.159 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.1 | -40.1 | 178.9 | -66.8 | 174.4 | -3.6 | 0 | 0 | 111.8 | H43 R86 F87 A94 L123 | H43-Q90 WeakPolarHBondContact CB-O 3.49Å; H43-Q90 WeakPolarHBondContact CE1-CG 3.47Å; R86-Q90 VanDerWaalsContact O-CG 3.24Å; R86-Q90 WeakPolarHBondContact O-CG 3.38Å; R86-Q90 PolarHBondContact O-N 3.19Å; R86-Q90 VanDerWaalsContact O-N 3.15Å; F87-Q90 PolarHBondContact O-N 2.99Å; Q90-A94 PolarHBondContact O-N 3.42Å; Q90-A94 VanDerWaalsContact O-N 3.1Å; Q90-L123 HydrophobicContact CB-CG 4.11Å |
| 91 | L | 98.1 | Very high | 96.3 | Very high | 3 Ų | 3 | 34.7 Ų | 34.7 | 2% | 0.016 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -67.9 | -39.6 | 176.1 | -172.1 | 55.4 | 0 | 0 | 0 | 112.2 | F87 L88 Q89 A94 L95 I113 L123 L125 I169 | F87-L91 VanDerWaalsContact O-CB 3.32Å; F87-L91 WeakPolarHBondContact O-CB 3.29Å; F87-L91 PolarHBondContact O-N 3.47Å; L88-L91 HydrophobicContact CD2-CD2 4.25Å; L88-L91 PolarHBondContact O-N 2.92Å; Q89-L91 VanDerWaalsContact C-N 3.32Å; Q89-L91 PolarHBondContact O-N 3.2Å; L91-A94 PolarHBondContact O-N 3.34Å; L91-L95 WeakPolarHBondContact O-CB 3.47Å; L91-L95 PolarHBondContact O-N 2.96Å; L91-I113 HydrophobicContact CD2-CD1 4.5Å; L91-L123 HydrophobicContact CB-CD1 4.41Å; L91-L125 HydrophobicContact CD1-CD1 3.8Å; L91-L125 HydrophobicContact CD1-CD2 3.41Å; L91-L125 VanDerWaalsContact CD1-CD2 3.41Å; L91-L125 HydrophobicContact CD1-CG 3.78Å; L91-I169 HydrophobicContact CD1-CD1 4.49Å; L91-I169 HydrophobicContact CD2-CD1 3.54Å; L91-I169 HydrophobicContact CD2-CG1 3.63Å; L91-I169 HydrophobicContact CD2-CG2 4.33Å; L91-I169 HydrophobicContact CG-CD1 3.72Å; L91-I169 HydrophobicContact CG-CG1 4.34Å |
| 92 | A | 98.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64.9 | -42.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | L88 Q89 A94 L95 Q96 F235 F236 I241 L243 | L88-A92 WeakPolarHBondContact O-CB 3.32Å; L88-A92 PolarHBondContact O-N 3.27Å; Q89-A92 PolarHBondContact O-N 3.09Å; A92-A94 VanDerWaalsContact C-N 3.35Å; A92-A94 PolarHBondContact O-N 2.98Å; A92-L95 PolarHBondContact O-N 3.45Å; A92-Q96 WeakPolarHBondContact O-CB 3.33Å; A92-Q96 PolarHBondContact O-N 3.1Å; A92-F235 HydrophobicContact CB-CE1 3.69Å; A92-F235 HydrophobicContact CB-CZ 4.09Å; A92-F236 HydrophobicContact CB-CD1 4.2Å; A92-F236 WeakPolarHBondContact O-CE1 3.45Å; A92-I241 HydrophobicContact CB-CG2 3.8Å; A92-L243 HydrophobicContact CB-CD2 4.04Å |
| 93 | L | 98.2 | Very high | 96.5 | Very high | 49 Ų | 49 | 33.7 Ų | 33.7 | 26% | 0.257 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -60.1 | -44.2 | 172.5 | -68.8 | 170.1 | 0 | 0 | 0 | 111.5 | Q89 Q96 Y97 L243 | Q89-L93 WeakPolarHBondContact O-CG 3.48Å; Q89-L93 PolarHBondContact O-N 3.12Å; L93-Q96 PolarHBondContact O-N 2.93Å; L93-Y97 PolarHBondContact O-N 3.49Å; L93-Y97 VanDerWaalsContact O-N 3.15Å; L93-L243 HydrophobicContact CD2-CD2 4.18Å; L93-L243 HydrophobicContact CG-CD2 4.11Å |
| 94 | A | 98.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.1 | -44.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | H41 H43 I44 Q90 L91 A92 Y97 L98 L125 | H41-A94 PolarHBondContact CE1-N 3.29Å; H43-A94 HydrophobicContact CB-CB 3.95Å; I44-A94 HydrophobicContact CG1-CB 4.07Å; Q90-A94 PolarHBondContact O-N 3.42Å; Q90-A94 VanDerWaalsContact O-N 3.1Å; L91-A94 PolarHBondContact O-N 3.34Å; A92-A94 VanDerWaalsContact C-N 3.35Å; A92-A94 PolarHBondContact O-N 2.98Å; A94-Y97 WeakPolarHBondContact O-CB 3.23Å; A94-Y97 PolarHBondContact O-N 2.99Å; A94-L98 WeakPolarHBondContact O-CG 3.15Å; A94-L98 PolarHBondContact O-N 3.42Å; A94-L125 HydrophobicContact CB-CD1 3.76Å; A94-L125 HydrophobicContact CB-CG 4.21Å |
| 95 | L | 97.7 | Very high | 96.5 | Very high | 3 Ų | 3 | 32.3 Ų | 32.3 | 2% | 0.016 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -67.1 | -35.2 | 177.6 | -80.1 | -167.4 | 0 | 0 | 0 | 113.1 | L91 A92 Y97 L98 K99 L108 L166 I169 F235 F236 | L91-L95 WeakPolarHBondContact O-CB 3.47Å; L91-L95 PolarHBondContact O-N 2.96Å; A92-L95 PolarHBondContact O-N 3.45Å; L95-Y97 VanDerWaalsContact C-N 3.31Å; L95-Y97 PolarHBondContact O-N 3.38Å; L95-L98 HydrophobicContact CD2-CD1 4.3Å; L95-L98 PolarHBondContact O-N 3.08Å; L95-K99 VanDerWaalsContact O-CB 3.22Å; L95-K99 WeakPolarHBondContact O-CB 3.47Å; L95-K99 PolarHBondContact O-N 3.44Å; L95-L108 HydrophobicContact CD2-CD1 4.44Å; L95-L166 HydrophobicContact CD1-CD2 3.83Å; L95-I169 HydrophobicContact CD1-CD1 3.21Å; L95-I169 HydrophobicContact CG-CD1 4.17Å; L95-F235 HydrophobicContact CD1-CE1 4.18Å; L95-F236 HydrophobicContact CB-CE1 3.97Å; L95-F236 HydrophobicContact CB-CZ 4.2Å |
| 96 | Q | 97 | Very high | 96.3 | Very high | 77 Ų | 77 | 30.9 Ų | 30.9 | 36% | 0.36 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -61.5 | -43.8 | 174.6 | -169.9 | 179.7 | 46.3 | 0 | 0 | 110.4 | A92 L93 K99 N100 F236 | A92-Q96 WeakPolarHBondContact O-CB 3.33Å; A92-Q96 PolarHBondContact O-N 3.1Å; L93-Q96 PolarHBondContact O-N 2.93Å; Q96-K99 PolarHBondContact O-N 2.92Å; Q96-N100 VanDerWaalsContact O-CG 3.25Å; Q96-N100 PolarHBondContact O-N 3.24Å; Q96-N100 VanDerWaalsContact O-N 3.12Å; Q96-N100 PolarHBondContact O-ND2 2.9Å; Q96-F236 HydrophobicContact CB-CD2 4.47Å; Q96-F236 HydrophobicContact CB-CE1 4.17Å; Q96-F236 HydrophobicContact CB-CE2 4.04Å; Q96-F236 HydrophobicContact CB-CZ 3.89Å; Q96-F236 HydrophobicContact CG-CD2 4.31Å; Q96-F236 HydrophobicContact CG-CE2 4.09Å; Q96-F236 HydrophobicContact CG-CZ 4.45Å |
| 97 | Y | 97.8 | Very high | 96.3 | Very high | 53 Ų | 53 | 29 Ų | 29 | 21% | 0.208 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.1 | -45.8 | 174.5 | 178.9 | -103.6 | 0 | 0 | 0 | 112.7 | A38 L39 E40 H41 I44 L93 A94 L95 N100 K101 | A38-Y97 PolarHBondContact O-OH 3.34Å; L39-Y97 HydrophobicContact CB-CE1 4.36Å; L39-Y97 HydrophobicContact CD2-CD1 4.31Å; L39-Y97 HydrophobicContact CD2-CE1 3.6Å; E40-Y97 PolarHBondContact N-OH 3.05Å; E40-Y97 VanDerWaalsContact N-OH 3.12Å; E40-Y97 PolarHBondContact O-OH 3.41Å; H41-Y97 HydrophobicContact CB-CD1 3.87Å; H41-Y97 HydrophobicContact CB-CE1 4.01Å; H41-Y97 HydrophobicContact CB-CG 4.19Å; H41-Y97 AromaticContact CD2-CG 3.79Å; I44-Y97 HydrophobicContact CD1-CD1 3.65Å; I44-Y97 HydrophobicContact CD1-CE1 4.12Å; L93-Y97 PolarHBondContact O-N 3.49Å; L93-Y97 VanDerWaalsContact O-N 3.15Å; A94-Y97 WeakPolarHBondContact O-CB 3.23Å; A94-Y97 PolarHBondContact O-N 2.99Å; L95-Y97 VanDerWaalsContact C-N 3.31Å; L95-Y97 PolarHBondContact O-N 3.38Å; Y97-N100 PolarHBondContact O-N 3.41Å; Y97-K101 HydrophobicContact CE1-CD 4.1Å; Y97-K101 PolarHBondContact O-N 2.91Å; Y97-K101 WeakPolarHBondContact OH-CE 2.99Å |
| 98 | L | 96.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -65.3 | -42.4 | 178.2 | -69 | 176.8 | 0 | 0 | 0 | 112.2 | L39 I44 A94 L95 N100 K101 N102 I103 L125 F128 | L39-L98 HydrophobicContact CD1-CD2 4.03Å; L39-L98 HydrophobicContact CD2-CD2 3.75Å; I44-L98 HydrophobicContact CD1-CD1 4.42Å; I44-L98 HydrophobicContact CD1-CD2 3.84Å; I44-L98 HydrophobicContact CD1-CG 3.97Å; A94-L98 WeakPolarHBondContact O-CG 3.15Å; A94-L98 PolarHBondContact O-N 3.42Å; L95-L98 HydrophobicContact CD2-CD1 4.3Å; L95-L98 PolarHBondContact O-N 3.08Å; L98-N100 VanDerWaalsContact C-N 3.32Å; L98-N100 PolarHBondContact O-N 3.21Å; L98-K101 CarbonylContact O-C 3.58Å; L98-K101 WeakPolarHBondContact O-CA 3.08Å; L98-K101 PolarHBondContact O-N 3.1Å; L98-N102 PolarHBondContact O-N 3.06Å; L98-N102 VanDerWaalsContact O-N 3.08Å; L98-I103 HydrophobicContact CB-CB 4.33Å; L98-I103 HydrophobicContact CD2-CB 4.03Å; L98-I103 HydrophobicContact CD2-CD1 4.32Å; L98-I103 HydrophobicContact CD2-CG2 3.9Å; L98-I103 PolarHBondContact O-N 3.16Å; L98-L125 HydrophobicContact CD1-CD1 4.11Å; L98-F128 HydrophobicContact CD1-CE1 3.97Å; L98-F128 HydrophobicContact CD1-CZ 4.22Å; L98-F128 HydrophobicContact CD2-CE1 3.76Å; L98-F128 HydrophobicContact CD2-CZ 4.23Å |
| 99 | K | 94.8 | Very high | 96.2 | Very high | 59 Ų | 59 | 29.9 Ų | 29.9 | 26% | 0.257 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -58 | -44.3 | 176.5 | -176 | -175 | -176.9 | -168.9 | 0 | 111.5 | L95 Q96 K101 N102 H232 E233 F236 | L95-K99 VanDerWaalsContact O-CB 3.22Å; L95-K99 WeakPolarHBondContact O-CB 3.47Å; L95-K99 PolarHBondContact O-N 3.44Å; Q96-K99 PolarHBondContact O-N 2.92Å; K99-K101 PolarHBondContact O-N 2.78Å; K99-K101 VanDerWaalsContact O-N 3.17Å; K99-N102 WeakPolarHBondContact O-CA 3.48Å; K99-N102 PolarHBondContact O-N 3.43Å; K99-H232 HydrophobicContact CD-CB 3.56Å; K99-H232 VanDerWaalsContact NZ-CB 3.34Å; K99-E233 IonicContact NZ-OE1 2.81Å; K99-E233 PolarHBondContact NZ-OE1 3Å; K99-F236 HydrophobicContact CD-CE2 3.9Å; K99-F236 HydrophobicContact CD-CZ 4.38Å |
| 100 | N | 94.9 | Very high | 96.2 | Very high | 125 Ų | 125 | 29.5 Ų | 29.5 | 67% | 0.668 | 14% | 0.142 | S | C | * | . | H | α-helix | trans | -63.1 | -22.6 | 178 | -69.7 | -11.9 | 0 | 0 | 0 | 112.8 | Q96 Y97 L98 | Q96-N100 VanDerWaalsContact O-CG 3.25Å; Q96-N100 PolarHBondContact O-N 3.24Å; Q96-N100 VanDerWaalsContact O-N 3.12Å; Q96-N100 PolarHBondContact O-ND2 2.9Å; Y97-N100 PolarHBondContact O-N 3.41Å; L98-N100 VanDerWaalsContact C-N 3.32Å; L98-N100 PolarHBondContact O-N 3.21Å |
| 101 | K | 94.7 | Very high | 96.1 | Very high | 82 Ų | 82 | 31.5 Ų | 31.5 | 36% | 0.357 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | 3 | 172.7 | -70.2 | -178.3 | 175.3 | -78.8 | 0 | 113.6 | A38 L39 Y97 L98 K99 I103 | A38-K101 VanDerWaalsContact O-CE 3.3Å; A38-K101 WeakPolarHBondContact O-CE 3.38Å; A38-K101 PolarHBondContact O-NZ 3.32Å; L39-K101 HydrophobicContact CD2-CD 3.92Å; Y97-K101 HydrophobicContact CE1-CD 4.1Å; Y97-K101 PolarHBondContact O-N 2.91Å; Y97-K101 WeakPolarHBondContact OH-CE 2.99Å; L98-K101 CarbonylContact O-C 3.58Å; L98-K101 WeakPolarHBondContact O-CA 3.08Å; L98-K101 PolarHBondContact O-N 3.1Å; K99-K101 PolarHBondContact O-N 2.78Å; K99-K101 VanDerWaalsContact O-N 3.17Å; K101-I103 HydrophobicContact CB-CD1 3.73Å; K101-I103 HydrophobicContact CB-CG1 4.01Å; K101-I103 HydrophobicContact CD-CD1 4.18Å; K101-I103 PolarHBondContact O-N 2.79Å |
| 102 | N | 93.2 | Very high | 96.1 | Very high | 64 Ų | 64 | 31.9 Ų | 31.9 | 34% | 0.342 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.4 | 33.1 | -172.9 | -52.7 | -73.4 | 0 | 0 | 0 | 113.1 | L98 K99 C133 I134 K135 | L98-N102 PolarHBondContact O-N 3.06Å; L98-N102 VanDerWaalsContact O-N 3.08Å; K99-N102 WeakPolarHBondContact O-CA 3.48Å; K99-N102 PolarHBondContact O-N 3.43Å; N102-C133 CarbonylContact O-C 3.59Å; N102-C133 WeakPolarHBondContact O-CA 3.47Å; N102-I134 PolarHBondContact O-N 3.44Å; N102-K135 HydrophobicContact CB-CG 3.87Å |
| 103 | I | 94.8 | Very high | 96.1 | Very high | 12 Ų | 12 | 32 Ų | 32 | 6% | 0.062 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 128.9 | 178.9 | -64.7 | 165.7 | 0 | 0 | 0 | 108.9 | I35 L39 L98 K101 F128 A131 Q132 | I35-I103 HydrophobicContact CG2-CD1 4.16Å; I35-I103 HydrophobicContact CG2-CG2 4.49Å; L39-I103 HydrophobicContact CD2-CD1 3.72Å; L98-I103 HydrophobicContact CB-CB 4.33Å; L98-I103 HydrophobicContact CD2-CB 4.03Å; L98-I103 HydrophobicContact CD2-CD1 4.32Å; L98-I103 HydrophobicContact CD2-CG2 3.9Å; L98-I103 PolarHBondContact O-N 3.16Å; K101-I103 HydrophobicContact CB-CD1 3.73Å; K101-I103 HydrophobicContact CB-CG1 4.01Å; K101-I103 HydrophobicContact CD-CD1 4.18Å; K101-I103 PolarHBondContact O-N 2.79Å; I103-F128 HydrophobicContact CG2-CE1 4.49Å; I103-A131 HydrophobicContact CG2-CB 4.31Å; I103-Q132 WeakPolarHBondContact CA-O 3.37Å |
| 104 | V | 93.5 | Very high | 96.1 | Very high | 8 Ų | 8 | 31.8 Ų | 31.8 | 5% | 0.048 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 131 | 170.7 | -174.3 | 0 | 0 | 0 | 0 | 107.6 | M106 A131 Q132 I134 C164 D165 | V104-M106 HydrophobicContact CB-CG 4.1Å; V104-M106 HydrophobicContact CG1-CG 3.56Å; V104-A131 VanDerWaalsContact O-CA 3.24Å; V104-A131 WeakPolarHBondContact O-CA 3.26Å; V104-A131 WeakPolarHBondContact O-CB 3.45Å; V104-Q132 PolarHBondContact N-O 3.16Å; V104-Q132 PolarHBondContact O-N 3.5Å; V104-I134 HydrophobicContact CB-CD1 4.19Å; V104-I134 HydrophobicContact CG2-CB 3.97Å; V104-I134 HydrophobicContact CG2-CD1 4.23Å; V104-I134 HydrophobicContact CG2-CG1 4.42Å; V104-C164 VanDerWaalsContact CG1-SG 3.59Å; V104-D165 WeakPolarHBondContact CG1-OD2 3.25Å |
| 105 | H | 94.6 | Very high | 96 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 15% | 0.153 | C | C | . | . | trans | -76 | -42.2 | -175.3 | -171.2 | -56.6 | 0 | 0 | 0 | 112.1 | D107 L108 A126 D127 A131 D165 | H105-D107 PolarHBondContact ND1-N 3.2Å; H105-D107 PolarHBondContact O-N 3.24Å; H105-D107 VanDerWaalsContact O-N 3.1Å; H105-L108 HydrophobicContact CB-CD2 4Å; H105-L108 HydrophobicContact CB-CG 4.04Å; H105-A126 PolarHBondContact NE2-O 3.1Å; H105-D127 PolarHBondContact CE1-O 3.4Å; H105-D127 PolarHBondContact NE2-O 3.24Å; H105-A131 PolarHBondContact O-N 3.42Å; H105-D165 PolarHBondContact N-OD2 2.97Å | ||
| 106 | M | 93.1 | Very high | 95.7 | Very high | 9 Ų | 9 | 33.8 Ų | 33.8 | 4% | 0.044 | 17% | 0.165 | C | C | . | . | S | Bend | trans | 64.5 | 5.1 | 175.4 | -53.6 | -174.1 | -61.7 | 0 | 0 | 116.6 | V104 F130 Q132 I134 G145 Y160 D165 | V104-M106 HydrophobicContact CB-CG 4.1Å; V104-M106 HydrophobicContact CG1-CG 3.56Å; M106-F130 WeakPolarHBondContact CE-O 3.36Å; M106-Q132 HydrophobicContact CE-CB 3.8Å; M106-Q132 HydrophobicContact CE-CG 3.69Å; M106-I134 HydrophobicContact SD-CD1 3.71Å; M106-G145 WeakPolarHBondContact O-CA 3.48Å; M106-Y160 HydrophobicContact CB-CE1 4.42Å; M106-Y160 HydrophobicContact CG-CD1 4.05Å; M106-Y160 HydrophobicContact CG-CE1 4.21Å; M106-Y160 HydrophobicContact SD-CD1 3.32Å; M106-Y160 WeakPolarHBondContact SD-CD1 3.47Å; M106-Y160 HydrophobicContact SD-CE1 3.51Å; M106-Y160 VanDerWaalsContact SD-CE1 3.51Å; M106-Y160 HydrophobicContact SD-CG 4.18Å; M106-D165 PolarHBondContact N-OD1 3.1Å |
| 107 | D | 94.6 | Very high | 95.2 | Very high | 4 Ų | 4 | 32.1 Ų | 32.1 | 2% | 0.021 | 16% | 0.162 | C | C | . | . | trans | -147.5 | 43.2 | 173.7 | -164.4 | 38.3 | 0 | 0 | 0 | 110.6 | H105 K109 N112 F130 G145 T146 | H105-D107 PolarHBondContact ND1-N 3.2Å; H105-D107 PolarHBondContact O-N 3.24Å; H105-D107 VanDerWaalsContact O-N 3.1Å; D107-K109 PolarHBondContact O-N 3.47Å; D107-K109 IonicContact OD1-NZ 3.26Å; D107-K109 VanDerWaalsContact OD2-CE 3.22Å; D107-K109 WeakPolarHBondContact OD2-CE 3.46Å; D107-K109 IonicContact OD2-NZ 3.84Å; D107-K109 PolarHBondContact OD2-NZ 3.29Å; D107-N112 PolarHBondContact O-ND2 3.36Å; D107-N112 PolarHBondContact OD2-ND2 3.04Å; D107-N112 VanDerWaalsContact OD2-ND2 3.16Å; D107-F130 HydrophobicContact CB-CB 4.34Å; D107-F130 HydrophobicContact CB-CD2 3.62Å; D107-F130 HydrophobicContact CB-CE2 4.38Å; D107-F130 HydrophobicContact CB-CG 4.32Å; D107-G145 WeakPolarHBondContact OD1-CA 3.25Å; D107-T146 WeakPolarHBondContact OD1-CB 3.4Å; D107-T146 PolarHBondContact OD1-N 3.33Å; D107-T146 PolarHBondContact OD1-OG1 3.36Å | ||
| 108 | L | 97.3 | Very high | 94.4 | Very high | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | trans | -68.6 | 119.1 | 172.4 | -69.9 | -178 | 0 | 0 | 0 | 109.5 | L95 H105 L125 Y149 D165 I169 I172 | L95-L108 HydrophobicContact CD2-CD1 4.44Å; H105-L108 HydrophobicContact CB-CD2 4Å; H105-L108 HydrophobicContact CB-CG 4.04Å; L108-L125 HydrophobicContact CD2-CD1 4.28Å; L108-L125 HydrophobicContact CD2-CD2 3.7Å; L108-Y149 WeakPolarHBondContact O-CB 3.17Å; L108-D165 HydrophobicContact CD1-CB 3.66Å; L108-I169 HydrophobicContact CD1-CD1 4.3Å; L108-I169 HydrophobicContact CD1-CG1 4.02Å; L108-I172 HydrophobicContact CB-CD1 4.24Å | ||
| 109 | K | 96.5 | Very high | 93.4 | Very high | 36 Ų | 36 | 40 Ų | 40 | 16% | 0.157 | 21% | 0.211 | C | C | . | . | trans | -153.6 | 160.3 | 175.7 | 61.5 | -173.2 | 165.6 | -158.5 | 0 | 108.9 | D107 Q111 N112 T146 Y149 | D107-K109 PolarHBondContact O-N 3.47Å; D107-K109 IonicContact OD1-NZ 3.26Å; D107-K109 VanDerWaalsContact OD2-CE 3.22Å; D107-K109 WeakPolarHBondContact OD2-CE 3.46Å; D107-K109 IonicContact OD2-NZ 3.84Å; D107-K109 PolarHBondContact OD2-NZ 3.29Å; K109-Q111 HydrophobicContact CD-CB 4.39Å; K109-Q111 HydrophobicContact CG-CB 4.24Å; K109-Q111 PolarHBondContact O-N 3.29Å; K109-N112 VanDerWaalsContact CE-ND2 3.31Å; K109-N112 WeakPolarHBondContact CE-ND2 3.49Å; K109-N112 WeakPolarHBondContact CE-OD1 3.37Å; K109-N112 HydrophobicContact CG-CB 4.1Å; K109-N112 PolarHBondContact O-N 3.5Å; K109-T146 HydrophobicContact CD-CG2 4.26Å; K109-T146 VanDerWaalsContact CD-OG1 3.3Å; K109-T146 WeakPolarHBondContact CD-OG1 3.47Å; K109-T146 PolarHBondContact NZ-OG1 3.02Å; K109-Y149 HydrophobicContact CB-CD2 3.58Å; K109-Y149 HydrophobicContact CB-CE2 3.75Å; K109-Y149 HydrophobicContact CB-CG 4.01Å | ||
| 110 | P | 97.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -55.4 | -29.1 | -179 | -26.8 | 36 | 0 | 0 | 0 | 114.2 | L69 G70 L73 N112 I113 Y149 I172 E175 | L69-P110 HydrophobicContact CB-CB 4.13Å; L69-P110 WeakPolarHBondContact CB-O 3.36Å; L69-P110 HydrophobicContact CD2-CB 4.44Å; L69-P110 HydrophobicContact CG-CB 4.21Å; L69-P110 PolarHBondContact N-O 3.13Å; L69-P110 VanDerWaalsContact N-O 3.08Å; G70-P110 VanDerWaalsContact CA-CB 3.46Å; G70-P110 VanDerWaalsContact N-CB 3.28Å; G70-P110 PolarHBondContact N-O 3.25Å; L73-P110 HydrophobicContact CD1-CB 4.2Å; L73-P110 HydrophobicContact CD1-CG 4.17Å; P110-N112 VanDerWaalsContact C-N 3.31Å; P110-N112 PolarHBondContact O-N 3.44Å; P110-I113 PolarHBondContact O-N 3.42Å; P110-Y149 VanDerWaalsContact CD-CE1 3.41Å; P110-Y149 VanDerWaalsContact CD-OH 3.29Å; P110-Y149 WeakPolarHBondContact CD-OH 3.12Å; P110-Y149 HydrophobicContact CG-CE1 4.02Å; P110-I172 HydrophobicContact CG-CG1 4.29Å; P110-E175 WeakPolarHBondContact CG-OE2 3.47Å |
| 111 | Q | 96.8 | Very high | 92.4 | Very high | 77 Ų | 77 | 35.6 Ų | 35.6 | 36% | 0.36 | 19% | 0.191 | S | C | . | . | G | 310 helix | trans | -71 | -24.9 | 178.6 | -60.3 | 77.2 | 11 | 0 | 0 | 113.1 | K109 I113 | K109-Q111 HydrophobicContact CD-CB 4.39Å; K109-Q111 HydrophobicContact CG-CB 4.24Å; K109-Q111 PolarHBondContact O-N 3.29Å; Q111-I113 VanDerWaalsContact C-N 3.33Å |
| 112 | N | 97.6 | Very high | 92.3 | Very high | 11 Ų | 11 | 32.8 Ų | 32.8 | 6% | 0.059 | 18% | 0.182 | C | C | . | . | G | 310 helix | trans | -94.7 | 7.4 | 178.5 | -71.5 | 1.3 | 0 | 0 | 0 | 112.3 | D107 K109 P110 A126 D127 | D107-N112 PolarHBondContact O-ND2 3.36Å; D107-N112 PolarHBondContact OD2-ND2 3.04Å; D107-N112 VanDerWaalsContact OD2-ND2 3.16Å; K109-N112 VanDerWaalsContact CE-ND2 3.31Å; K109-N112 WeakPolarHBondContact CE-ND2 3.49Å; K109-N112 WeakPolarHBondContact CE-OD1 3.37Å; K109-N112 HydrophobicContact CG-CB 4.1Å; K109-N112 PolarHBondContact O-N 3.5Å; P110-N112 VanDerWaalsContact C-N 3.31Å; P110-N112 PolarHBondContact O-N 3.44Å; N112-A126 PolarHBondContact O-N 2.94Å; N112-D127 HydrophobicContact CB-CB 4.44Å |
| 113 | I | 98.4 | Very high | 92.4 | Very high | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 102.2 | 177.6 | -63.8 | 179.8 | 0 | 0 | 0 | 107.2 | D68 L69 L91 P110 Q111 L123 L125 I172 | D68-I113 CarbonylContact C-O 3.49Å; D68-I113 WeakPolarHBondContact CA-O 3.21Å; L69-I113 HydrophobicContact CB-CB 3.93Å; L69-I113 HydrophobicContact CB-CG2 3.89Å; L69-I113 HydrophobicContact CD2-CB 4.36Å; L69-I113 HydrophobicContact CD2-CD1 4.09Å; L69-I113 HydrophobicContact CD2-CG2 4.05Å; L69-I113 PolarHBondContact N-O 3.15Å; L91-I113 HydrophobicContact CD2-CD1 4.5Å; P110-I113 PolarHBondContact O-N 3.42Å; Q111-I113 VanDerWaalsContact C-N 3.33Å; I113-L123 HydrophobicContact CG2-CB 4.01Å; I113-L123 HydrophobicContact CG2-CD1 3.58Å; I113-L123 HydrophobicContact CG2-CD2 3.81Å; I113-L123 HydrophobicContact CG2-CG 3.99Å; I113-L125 HydrophobicContact CG1-CD2 3.89Å; I113-I172 HydrophobicContact CD1-CD1 3.89Å; I113-I172 HydrophobicContact CD1-CG2 4.4Å |
| 114 | L | 98.1 | Very high | 92.6 | Very high | 45 Ų | 45 | 30.2 Ų | 30.2 | 24% | 0.236 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 151 | -178.8 | -56.7 | -172.2 | 0 | 0 | 0 | 111.6 | V45 C64 G67 D68 L123 K124 A126 | V45-L114 HydrophobicContact CG2-CD1 3.97Å; V45-L114 HydrophobicContact CG2-CG 4.5Å; C64-L114 HydrophobicContact CB-CB 3.7Å; C64-L114 HydrophobicContact CB-CD1 4Å; C64-L114 HydrophobicContact CB-CG 4.5Å; G67-L114 CarbonylContact O-C 3.54Å; G67-L114 WeakPolarHBondContact O-CA 3.47Å; D68-L114 HydrophobicContact CB-CD2 3.96Å; L114-L123 CarbonylContact O-C 3.39Å; L114-L123 VanDerWaalsContact O-CA 3.25Å; L114-L123 WeakPolarHBondContact O-CA 3.31Å; L114-K124 PolarHBondContact N-O 3.01Å; L114-K124 PolarHBondContact O-N 2.98Å; L114-A126 HydrophobicContact CD1-CB 3.83Å; L114-A126 HydrophobicContact CG-CB 3.75Å |
| 115 | L | 96.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 134.3 | 176.1 | -56.1 | -178.7 | 0 | 0 | 0 | 109.7 | C64 G66 G67 F72 F87 S117 P121 L123 | C64-L115 CarbonylContact C-O 3.41Å; C64-L115 WeakPolarHBondContact CB-O 3.49Å; G66-L115 WeakPolarHBondContact CA-O 3.44Å; G66-L115 PolarHBondContact N-O 2.9Å; G67-L115 PolarHBondContact O-N 3.13Å; F72-L115 HydrophobicContact CB-CD1 3.76Å; F72-L115 HydrophobicContact CD1-CD1 4.18Å; F72-L115 HydrophobicContact CD2-CD1 3.69Å; F72-L115 HydrophobicContact CE2-CD1 4.3Å; F72-L115 HydrophobicContact CG-CD1 3.62Å; F87-L115 HydrophobicContact CE1-CD2 4.23Å; F87-L115 HydrophobicContact CE2-CD2 4.41Å; F87-L115 HydrophobicContact CZ-CD1 4.38Å; F87-L115 HydrophobicContact CZ-CD2 3.92Å; L115-S117 VanDerWaalsContact C-N 3.33Å; L115-S117 PolarHBondContact O-N 3.23Å; L115-P121 HydrophobicContact CB-CB 4.07Å; L115-P121 HydrophobicContact CD1-CB 3.98Å; L115-P121 HydrophobicContact CD2-CB 4.11Å; L115-P121 HydrophobicContact CG-CB 4.27Å; L115-L123 HydrophobicContact CD2-CB 3.77Å |
| 116 | T | 90.8 | Very high | 92.9 | Very high | 46 Ų | 46 | 30.3 Ų | 30.3 | 28% | 0.282 | 17% | 0.169 | S | C | . | . | S | Bend | trans | -67.7 | -29.6 | -179.7 | 45.8 | 0 | 0 | 0 | 0 | 113.6 | G65 S122 K124 | G65-T116 PolarHBondContact N-O 3.18Å; T116-S122 WeakPolarHBondContact CG2-O 3.45Å; T116-S122 PolarHBondContact N-O 3.39Å; T116-S122 WeakPolarHBondContact OG1-CB 3.47Å; T116-S122 PolarHBondContact OG1-N 3.1Å; T116-S122 PolarHBondContact OG1-O 3.31Å; T116-K124 HydrophobicContact CG2-CD 3.86Å; T116-K124 HydrophobicContact CG2-CG 4.37Å |
| 117 | S | 87.8 | Confident | 93 | Very high | 42 Ų | 42 | 32.5 Ų | 32.5 | 29% | 0.294 | 18% | 0.181 | S | C | . | . | trans | -157.3 | 169.7 | 178.4 | 74.9 | 0 | 0 | 0 | 0 | 111.3 | L115 N120 P121 | L115-S117 VanDerWaalsContact C-N 3.33Å; L115-S117 PolarHBondContact O-N 3.23Å; S117-N120 VanDerWaalsContact OG-C 3.32Å; S117-N120 PolarHBondContact OG-N 3.38Å; S117-N120 PolarHBondContact OG-O 3.31Å; S117-N120 VanDerWaalsContact OG-O 3.04Å; S117-P121 WeakPolarHBondContact O-CA 3.5Å; S117-P121 VanDerWaalsContact O-CB 3.31Å; S117-P121 WeakPolarHBondContact O-CB 3.47Å | ||
| 118 | T | 80.7 | Confident | 93 | Very high | 90 Ų | 90 | 32.3 Ų | 32.3 | 55% | 0.552 | 18% | 0.18 | S | C | * | . | S | Bend | trans | -87.3 | -35 | 177.5 | 50.2 | 0 | 0 | 0 | 0 | 114.1 | ||
| 119 | N | 75.2 | Confident | 92.7 | Very high | 129 Ų | 129 | 33 Ų | 33 | 69% | 0.69 | 19% | 0.188 | S | C | * | . | S | Bend | trans | -85.8 | -32 | -172.5 | -71.3 | -14.9 | 0 | 0 | 0 | 113.6 | E564 | N119-E564 PolarHBondContact ND2-OE1 3.25Š|
| 120 | N | 79.4 | Confident | 92.3 | Very high | 72 Ų | 72 | 34.5 Ų | 34.5 | 39% | 0.385 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -141 | 72.2 | 173.7 | -171.3 | 37.5 | 0 | 0 | 0 | 108.8 | S117 S122 | S117-N120 VanDerWaalsContact OG-C 3.32Å; S117-N120 PolarHBondContact OG-N 3.38Å; S117-N120 PolarHBondContact OG-O 3.31Å; S117-N120 VanDerWaalsContact OG-O 3.04Å; N120-S122 PolarHBondContact O-N 2.98Å |
| 121 | P | 88.9 | Confident | 92.1 | Very high | 18 Ų | 18 | 34.6 Ų | 34.6 | 12% | 0.117 | 20% | 0.195 | C | C | . | . | P | Polyproline II helix | trans | -65.2 | 124.4 | -173.2 | 24.4 | -32.5 | 0 | 0 | 0 | 111.1 | F72 F87 L115 S117 | F72-P121 HydrophobicContact CZ-CG 4.43Å; F87-P121 HydrophobicContact CE1-CB 4.03Å; F87-P121 HydrophobicContact CE1-CG 3.93Å; F87-P121 HydrophobicContact CZ-CB 3.96Å; F87-P121 HydrophobicContact CZ-CG 3.74Å; L115-P121 HydrophobicContact CB-CB 4.07Å; L115-P121 HydrophobicContact CD1-CB 3.98Å; L115-P121 HydrophobicContact CD2-CB 4.11Å; L115-P121 HydrophobicContact CG-CB 4.27Å; S117-P121 WeakPolarHBondContact O-CA 3.5Å; S117-P121 VanDerWaalsContact O-CB 3.31Å; S117-P121 WeakPolarHBondContact O-CB 3.47Å |
| 122 | S | 92.6 | Very high | 91.8 | Very high | 24 Ų | 24 | 33.1 Ų | 33.1 | 17% | 0.168 | 19% | 0.188 | C | C | . | . | P | Polyproline II helix | trans | -103.9 | 132.6 | 157.2 | -179.1 | 0 | 0 | 0 | 0 | 108 | T116 N120 | T116-S122 WeakPolarHBondContact CG2-O 3.45Å; T116-S122 PolarHBondContact N-O 3.39Å; T116-S122 WeakPolarHBondContact OG1-CB 3.47Å; T116-S122 PolarHBondContact OG1-N 3.1Å; T116-S122 PolarHBondContact OG1-O 3.31Å; N120-S122 PolarHBondContact O-N 2.98Å |
| 123 | L | 96.9 | Very high | 91.3 | Very high | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.01 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 148.5 | -179.8 | 102 | -174.3 | 0 | 0 | 0 | 112.4 | H43 F87 Q90 L91 I113 L114 L115 L125 | H43-L123 PolarHBondContact ND1-O 3.38Å; F87-L123 HydrophobicContact CB-CD1 3.95Å; F87-L123 HydrophobicContact CG-CD1 4.27Å; F87-L123 WeakPolarHBondContact O-CD1 3.29Å; Q90-L123 HydrophobicContact CB-CG 4.11Å; L91-L123 HydrophobicContact CB-CD1 4.41Å; I113-L123 HydrophobicContact CG2-CB 4.01Å; I113-L123 HydrophobicContact CG2-CD1 3.58Å; I113-L123 HydrophobicContact CG2-CD2 3.81Å; I113-L123 HydrophobicContact CG2-CG 3.99Å; L114-L123 CarbonylContact O-C 3.39Å; L114-L123 VanDerWaalsContact O-CA 3.25Å; L114-L123 WeakPolarHBondContact O-CA 3.31Å; L115-L123 HydrophobicContact CD2-CB 3.77Å; L123-L125 HydrophobicContact CD2-CD2 4.5Å |
| 124 | K | 98.3 | Very high | 90.5 | Very high | 19 Ų | 19 | 37.6 Ų | 37.6 | 8% | 0.083 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 125.6 | 173 | -74.5 | 175.4 | 169.3 | -78.7 | 0 | 109.6 | P42 H43 I44 V45 E62 L114 T116 | P42-K124 WeakPolarHBondContact O-CE 3.29Å; P42-K124 WeakPolarHBondContact O-CG 3.45Å; P42-K124 PolarHBondContact O-NZ 3.14Å; H43-K124 CarbonylContact O-C 3.52Å; H43-K124 WeakPolarHBondContact O-CA 3.45Å; I44-K124 PolarHBondContact O-NZ 3.42Å; V45-K124 HydrophobicContact CG2-CB 3.77Å; E62-K124 WeakPolarHBondContact OE1-CE 3.49Å; E62-K124 IonicContact OE1-NZ 3.52Å; E62-K124 PolarHBondContact OE1-NZ 3.04Å; E62-K124 WeakPolarHBondContact OE2-CE 3.43Å; E62-K124 IonicContact OE2-NZ 3.02Å; E62-K124 PolarHBondContact OE2-NZ 3.36Å; E62-K124 VanDerWaalsContact OE2-NZ 3.08Å; L114-K124 PolarHBondContact N-O 3.01Å; L114-K124 PolarHBondContact O-N 2.98Å; T116-K124 HydrophobicContact CG2-CD 3.86Å; T116-K124 HydrophobicContact CG2-CG 4.37Å |
| 125 | L | 98.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 135.6 | 170.7 | -73.3 | -174.6 | 0 | 0 | 0 | 110.9 | H43 I44 V45 L91 A94 L98 L108 I113 L123 F128 | H43-L125 PolarHBondContact O-N 3.22Å; I44-L125 HydrophobicContact CG1-CB 4.39Å; V45-L125 WeakPolarHBondContact CG2-O 3.18Å; V45-L125 PolarHBondContact N-O 3.26Å; L91-L125 HydrophobicContact CD1-CD1 3.8Å; L91-L125 HydrophobicContact CD1-CD2 3.41Å; L91-L125 VanDerWaalsContact CD1-CD2 3.41Å; L91-L125 HydrophobicContact CD1-CG 3.78Å; A94-L125 HydrophobicContact CB-CD1 3.76Å; A94-L125 HydrophobicContact CB-CG 4.21Å; L98-L125 HydrophobicContact CD1-CD1 4.11Å; L108-L125 HydrophobicContact CD2-CD1 4.28Å; L108-L125 HydrophobicContact CD2-CD2 3.7Å; I113-L125 HydrophobicContact CG1-CD2 3.89Å; L123-L125 HydrophobicContact CD2-CD2 4.5Å; L125-F128 HydrophobicContact CB-CZ 4.49Å |
| 126 | A | 97 | Very high | 88.7 | Confident | 11 Ų | 11 | 50.8 Ų | 50.8 | 9% | 0.091 | 28% | 0.276 | C | S | . | . | trans | -134.7 | 169.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | V45 H105 N112 L114 | V45-A126 HydrophobicContact CB-CB 4.29Å; V45-A126 HydrophobicContact CG2-CB 3.69Å; H105-A126 PolarHBondContact NE2-O 3.1Å; N112-A126 PolarHBondContact O-N 2.94Å; L114-A126 HydrophobicContact CD1-CB 3.83Å; L114-A126 HydrophobicContact CG-CB 3.75Å | ||
| 127 | D | 94.1 | Very high | 88.2 | Confident | 54 Ų | 54 | 52.1 Ų | 52.1 | 29% | 0.289 | 29% | 0.285 | S | S | . | . | trans | 63.2 | 72.7 | 173.9 | -159.2 | 23.2 | 0 | 0 | 0 | 115.5 | K14 H105 N112 G129 | K14-D127 IonicContact NZ-OD1 2.72Å; K14-D127 PolarHBondContact NZ-OD1 3.17Å; H105-D127 PolarHBondContact CE1-O 3.4Å; H105-D127 PolarHBondContact NE2-O 3.24Å; N112-D127 HydrophobicContact CB-CB 4.44Å; D127-G129 PolarHBondContact O-N 3.12Å | ||
| 128 | F | 95 | Very high | 87.7 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | 18.9 | 177.3 | -72.8 | -101.1 | 0 | 0 | 0 | 112.9 | E32 I35 L36 L39 I44 L98 I103 L125 F130 A131 | E32-F128 HydrophobicContact CG-CB 4.43Å; I35-F128 HydrophobicContact CG2-CB 4.36Å; I35-F128 HydrophobicContact CG2-CD1 3.92Å; I35-F128 HydrophobicContact CG2-CG 4.34Å; L36-F128 HydrophobicContact CD2-CB 4.29Å; L36-F128 HydrophobicContact CD2-CD2 3.68Å; L36-F128 HydrophobicContact CD2-CE2 4.37Å; L36-F128 HydrophobicContact CD2-CG 4.17Å; L36-F128 HydrophobicContact CG-CB 4.44Å; L39-F128 HydrophobicContact CD1-CD1 3.88Å; L39-F128 HydrophobicContact CD1-CD2 4.42Å; L39-F128 HydrophobicContact CD1-CE1 3.53Å; L39-F128 HydrophobicContact CD1-CE2 4.11Å; L39-F128 HydrophobicContact CD1-CG 4.32Å; L39-F128 HydrophobicContact CD1-CZ 3.66Å; I44-F128 HydrophobicContact CD1-CZ 4.43Å; I44-F128 HydrophobicContact CG2-CE2 3.66Å; I44-F128 HydrophobicContact CG2-CZ 3.75Å; L98-F128 HydrophobicContact CD1-CE1 3.97Å; L98-F128 HydrophobicContact CD1-CZ 4.22Å; L98-F128 HydrophobicContact CD2-CE1 3.76Å; L98-F128 HydrophobicContact CD2-CZ 4.23Å; I103-F128 HydrophobicContact CG2-CE1 4.49Å; L125-F128 HydrophobicContact CB-CZ 4.49Å; F128-F130 PolarHBondContact O-N 3.1Å; F128-F130 VanDerWaalsContact O-N 3.12Å; F128-A131 HydrophobicContact CB-CB 3.85Å; F128-A131 HydrophobicContact CD1-CB 3.59Å; F128-A131 HydrophobicContact CG-CB 4.18Å; F128-A131 WeakPolarHBondContact O-CB 3.5Å; F128-A131 PolarHBondContact O-N 3Å |
| 129 | G | 89.8 | Confident | 87.6 | Confident | 16 Ų | 16 | 54.2 Ų | 54.2 | 17% | 0.165 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -25 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | D127 | D127-G129 PolarHBondContact O-N 3.12Š|
| 130 | F | 89.7 | Confident | 87.5 | Confident | 68 Ų | 68 | 49.8 Ų | 49.8 | 30% | 0.298 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -98 | -18.5 | 172.5 | -66.9 | -71.2 | 0 | 0 | 0 | 113.6 | M106 D107 F128 R144 | M106-F130 WeakPolarHBondContact CE-O 3.36Å; D107-F130 HydrophobicContact CB-CB 4.34Å; D107-F130 HydrophobicContact CB-CD2 3.62Å; D107-F130 HydrophobicContact CB-CE2 4.38Å; D107-F130 HydrophobicContact CB-CG 4.32Å; F128-F130 PolarHBondContact O-N 3.1Å; F128-F130 VanDerWaalsContact O-N 3.12Å; F130-R144 HydrophobicContact CD1-CB 3.77Å; F130-R144 HydrophobicContact CD1-CG 3.99Å; F130-R144 HydrophobicContact CE1-CB 4.22Å; F130-R144 HydrophobicContact CE1-CG 4.31Å; F130-R144 HydrophobicContact CG-CB 4.47Å |
| 131 | A | 92.5 | Very high | 87 | Confident | 2 Ų | 2 | 54.9 Ų | 54.9 | 2% | 0.017 | 29% | 0.288 | C | S | . | . | trans | -60.8 | 147 | -167.7 | 0 | 0 | 0 | 0 | 0 | 113 | I35 I103 V104 H105 F128 | I35-A131 HydrophobicContact CD1-CB 4.04Å; I35-A131 WeakPolarHBondContact CD1-O 3.41Å; I103-A131 HydrophobicContact CG2-CB 4.31Å; V104-A131 VanDerWaalsContact O-CA 3.24Å; V104-A131 WeakPolarHBondContact O-CA 3.26Å; V104-A131 WeakPolarHBondContact O-CB 3.45Å; H105-A131 PolarHBondContact O-N 3.42Å; F128-A131 HydrophobicContact CB-CB 3.85Å; F128-A131 HydrophobicContact CD1-CB 3.59Å; F128-A131 HydrophobicContact CG-CB 4.18Å; F128-A131 WeakPolarHBondContact O-CB 3.5Å; F128-A131 PolarHBondContact O-N 3Å | ||
| 132 | Q | 89.8 | Confident | 86.3 | Confident | 45 Ų | 45 | 58.3 Ų | 58.3 | 21% | 0.21 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 156.5 | -178.5 | -71.1 | -178.6 | 37.8 | 0 | 0 | 111.8 | I103 V104 M106 I134 R144 | I103-Q132 WeakPolarHBondContact CA-O 3.37Å; V104-Q132 PolarHBondContact N-O 3.16Å; V104-Q132 PolarHBondContact O-N 3.5Å; M106-Q132 HydrophobicContact CE-CB 3.8Å; M106-Q132 HydrophobicContact CE-CG 3.69Å; Q132-I134 HydrophobicContact CB-CD1 4.48Å; Q132-I134 HydrophobicContact CB-CG1 4.18Å; Q132-I134 PolarHBondContact O-N 3.38Å; Q132-R144 VanDerWaalsContact NE2-NH1 3.15Å |
| 133 | C | 87 | Confident | 85.4 | Confident | 94 Ų | 94 | 60.7 Ų | 60.7 | 64% | 0.635 | 32% | 0.316 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 109.5 | 169.4 | -62.3 | 0 | 0 | 0 | 0 | 109.9 | N102 | N102-C133 CarbonylContact O-C 3.59Å; N102-C133 WeakPolarHBondContact O-CA 3.47Å |
| 134 | I | 82.8 | Confident | 84.4 | Confident | 13 Ų | 13 | 61.6 Ų | 61.6 | 7% | 0.067 | 32% | 0.319 | C | S | . | . | trans | -129.2 | 111.9 | 179.9 | -54.6 | 177.1 | 0 | 0 | 0 | 108 | N102 V104 M106 Q132 E136 A138 K140 | N102-I134 PolarHBondContact O-N 3.44Å; V104-I134 HydrophobicContact CB-CD1 4.19Å; V104-I134 HydrophobicContact CG2-CB 3.97Å; V104-I134 HydrophobicContact CG2-CD1 4.23Å; V104-I134 HydrophobicContact CG2-CG1 4.42Å; M106-I134 HydrophobicContact SD-CD1 3.71Å; Q132-I134 HydrophobicContact CB-CD1 4.48Å; Q132-I134 HydrophobicContact CB-CG1 4.18Å; Q132-I134 PolarHBondContact O-N 3.38Å; I134-E136 WeakPolarHBondContact CG2-O 3.28Å; I134-A138 HydrophobicContact CG2-CB 4.42Å; I134-K140 VanDerWaalsContact CD1-NZ 3.33Å | ||
| 135 | K | 76.5 | Confident | 83.4 | Confident | 163 Ų | 163 | 61.9 Ų | 61.9 | 71% | 0.709 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -84.8 | -41.1 | 176.7 | -68.8 | -174.6 | 175.9 | -177.4 | 0 | 112.5 | N102 | N102-K135 HydrophobicContact CB-CG 3.87Š|
| 136 | E | 79.1 | Confident | 82.9 | Confident | 159 Ų | 159 | 64 Ų | 64 | 74% | 0.743 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -132.4 | 162.8 | -175.3 | -68 | 177 | -171 | 0 | 0 | 109.8 | I134 A138 | I134-E136 WeakPolarHBondContact CG2-O 3.28Å; E136-A138 PolarHBondContact O-N 2.91Å; E136-A138 VanDerWaalsContact O-N 3.15Å |
| 137 | T | 79.9 | Confident | 82.6 | Confident | 74 Ų | 74 | 65.2 Ų | 65.2 | 45% | 0.454 | 35% | 0.346 | S | S | . | . | trans | -51.5 | 121.7 | 178.1 | -53.6 | 0 | 0 | 0 | 0 | 110.7 | F159 Y160 H161 | T137-F159 HydrophobicContact CG2-CB 4.43Å; T137-F159 HydrophobicContact CG2-CD1 4.25Å; T137-Y160 WeakPolarHBondContact CA-O 3.12Å; T137-H161 PolarHBondContact OG1-CD2 3.06Å; T137-H161 VanDerWaalsContact OG1-CD2 3.24Å | ||
| 138 | A | 78.2 | Confident | 82.5 | Confident | 32 Ų | 32 | 65 Ų | 65 | 26% | 0.264 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 131 | -176.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | I134 E136 Y160 | I134-A138 HydrophobicContact CG2-CB 4.42Å; E136-A138 PolarHBondContact O-N 2.91Å; E136-A138 VanDerWaalsContact O-N 3.15Å; A138-Y160 PolarHBondContact N-O 2.91Å; A138-Y160 PolarHBondContact O-N 3.25Å |
| 139 | K | 77.6 | Confident | 82.5 | Confident | 144 Ų | 144 | 65.5 Ų | 65.5 | 63% | 0.626 | 35% | 0.346 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 131.5 | 165.9 | -163.9 | 170.5 | -175.4 | 172.9 | 0 | 108.6 | F159 | K139-F159 HydrophobicContact CB-CD1 3.81Å; K139-F159 HydrophobicContact CB-CE1 3.58Å; K139-F159 HydrophobicContact CB-CZ 4.39Å; K139-F159 HydrophobicContact CD-CE1 4Å; K139-F159 HydrophobicContact CD-CZ 3.95Å; K139-F159 HydrophobicContact CG-CD1 4.16Å; K139-F159 HydrophobicContact CG-CE1 3.91Å; K139-F159 HydrophobicContact CG-CZ 4.28Å |
| 140 | K | 75 | Confident | 82.7 | Confident | 35 Ų | 35 | 65.4 Ų | 65.4 | 15% | 0.152 | 34% | 0.342 | C | S | . | . | trans | -122.1 | 150.3 | 173.4 | -60.2 | -171 | -176.2 | 172.3 | 0 | 110.3 | I134 E142 G158 Y160 | I134-K140 VanDerWaalsContact CD1-NZ 3.33Å; K140-E142 PolarHBondContact O-N 3.28Å; K140-G158 PolarHBondContact N-O 3.49Å; K140-Y160 HydrophobicContact CB-CD2 3.9Å; K140-Y160 HydrophobicContact CB-CE2 3.71Å; K140-Y160 HydrophobicContact CD-CD2 3.68Å; K140-Y160 HydrophobicContact CD-CE2 3.78Å; K140-Y160 HydrophobicContact CD-CG 4.26Å; K140-Y160 HydrophobicContact CG-CD2 3.71Å; K140-Y160 HydrophobicContact CG-CE2 3.96Å | ||
| 141 | N | 68.7 | Low | 82.9 | Confident | 179 Ų | 179 | 62.2 Ų | 62.2 | 96% | 0.957 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -74.7 | -16.2 | 178.5 | -63.4 | -12.2 | 0 | 0 | 0 | 112.3 | ||
| 142 | E | 72.8 | Confident | 82.8 | Confident | 91 Ų | 91 | 62.1 Ų | 62.1 | 43% | 0.425 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -122.2 | 131.6 | -173 | -166.9 | -177.2 | -167.3 | 0 | 0 | 110.9 | K140 R144 Y160 | K140-E142 PolarHBondContact O-N 3.28Å; E142-R144 HydrophobicContact CG-CG 4.12Å; E142-R144 IonicContact OE2-CZ 3.27Å; E142-R144 IonicContact OE2-NE 2.83Å; E142-R144 PolarHBondContact OE2-NE 3.4Å; E142-R144 IonicContact OE2-NH2 4Å; E142-R144 PolarHBondContact OE2-NH2 2.93Å; E142-Y160 PolarHBondContact O-OH 3.4Å |
| 143 | V | 74.7 | Confident | 82.9 | Confident | 74 Ų | 74 | 60.4 Ų | 60.4 | 45% | 0.448 | 32% | 0.319 | S | S | . | . | trans | -87.5 | 117.8 | 171.5 | 178 | 0 | 0 | 0 | 0 | 108.1 | M150 I154 Y160 | V143-M150 HydrophobicContact CG1-CE 3.66Å; V143-M150 HydrophobicContact CG1-SD 3.39Å; V143-M150 WeakPolarHBondContact CG1-SD 3.44Å; V143-I154 HydrophobicContact CG1-CG2 4.01Å; V143-Y160 WeakPolarHBondContact CA-OH 3.4Å | ||
| 144 | R | 76.4 | Confident | 83 | Confident | 20 Ų | 20 | 56.1 Ų | 56.1 | 8% | 0.075 | 29% | 0.29 | C | S | . | . | trans | -121.2 | 148.4 | -175.2 | -67.3 | 176.4 | 175 | -156.6 | 5.1 | 109.3 | N28 F130 Q132 E142 M150 Y160 | N28-R144 PolarHBondContact OD1-NH1 3.25Å; N28-R144 PolarHBondContact OD1-NH2 2.98Å; F130-R144 HydrophobicContact CD1-CB 3.77Å; F130-R144 HydrophobicContact CD1-CG 3.99Å; F130-R144 HydrophobicContact CE1-CB 4.22Å; F130-R144 HydrophobicContact CE1-CG 4.31Å; F130-R144 HydrophobicContact CG-CB 4.47Å; Q132-R144 VanDerWaalsContact NE2-NH1 3.15Å; E142-R144 HydrophobicContact CG-CG 4.12Å; E142-R144 IonicContact OE2-CZ 3.27Å; E142-R144 IonicContact OE2-NE 2.83Å; E142-R144 PolarHBondContact OE2-NE 3.4Å; E142-R144 IonicContact OE2-NH2 4Å; E142-R144 PolarHBondContact OE2-NH2 2.93Å; R144-M150 VanDerWaalsContact O-CE 3.27Å; R144-M150 WeakPolarHBondContact O-CE 3.14Å; R144-Y160 WeakPolarHBondContact CB-OH 3.45Å; R144-Y160 PolarHBondContact N-OH 3.04Å | ||
| 145 | G | 77.5 | Confident | 83.2 | Confident | 25 Ų | 25 | 58 Ų | 58 | 26% | 0.258 | 30% | 0.298 | S | S | . | . | S | Bend | trans | 107.7 | 174 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | M106 D107 M150 | M106-G145 WeakPolarHBondContact O-CA 3.48Å; D107-G145 WeakPolarHBondContact OD1-CA 3.25Å; G145-M150 WeakPolarHBondContact O-CE 3.36Å |
| 146 | T | 87.4 | Confident | 83.7 | Confident | 46 Ų | 46 | 52.7 Ų | 52.7 | 28% | 0.282 | 28% | 0.281 | S | S | . | . | trans | -87.2 | 114.3 | -176.4 | -54.9 | 0 | 0 | 0 | 0 | 110.6 | D107 K109 L148 Y149 M150 | D107-T146 WeakPolarHBondContact OD1-CB 3.4Å; D107-T146 PolarHBondContact OD1-N 3.33Å; D107-T146 PolarHBondContact OD1-OG1 3.36Å; K109-T146 HydrophobicContact CD-CG2 4.26Å; K109-T146 VanDerWaalsContact CD-OG1 3.3Å; K109-T146 WeakPolarHBondContact CD-OG1 3.47Å; K109-T146 PolarHBondContact NZ-OG1 3.02Å; T146-L148 PolarHBondContact O-N 2.92Å; T146-Y149 HydrophobicContact CG2-CD2 4Å; T146-Y149 HydrophobicContact CG2-CE2 4.42Å; T146-Y149 PolarHBondContact O-N 3.33Å; T146-M150 PolarHBondContact O-N 2.83Å | ||
| 147 | L | 90.5 | Very high | 83.9 | Confident | 36 Ų | 36 | 50.4 Ų | 50.4 | 19% | 0.188 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -49 | -37.8 | -170.1 | -173.7 | 66.2 | 0 | 0 | 0 | 114.4 | Y149 M150 F155 I188 L191 K192 L195 | L147-Y149 PolarHBondContact O-N 2.88Å; L147-M150 HydrophobicContact CD1-SD 4.3Å; L147-M150 PolarHBondContact O-N 3.04Å; L147-F155 HydrophobicContact CD1-CD2 3.58Å; L147-F155 HydrophobicContact CD1-CE2 4Å; L147-F155 HydrophobicContact CD1-CG 4.04Å; L147-I188 HydrophobicContact CD2-CG2 3.93Å; L147-L191 HydrophobicContact CD2-CD2 3.93Å; L147-L191 HydrophobicContact CD2-CG 4.28Å; L147-L191 HydrophobicContact CG-CD2 3.81Å; L147-L191 HydrophobicContact CG-CG 4.33Å; L147-K192 HydrophobicContact CD2-CG 3.82Å; L147-L195 HydrophobicContact CD1-CD1 3.82Å; L147-L195 HydrophobicContact CG-CD1 4.34Å |
| 148 | L | 92.6 | Very high | 84.1 | Confident | 50 Ų | 50 | 47.3 Ų | 47.3 | 26% | 0.262 | 25% | 0.253 | S | S | . | . | G | 310 helix | trans | -61.5 | -29.1 | -179.4 | -168.1 | 64 | 0 | 0 | 0 | 113.7 | T146 T181 L191 | T146-L148 PolarHBondContact O-N 2.92Å; L148-T181 WeakPolarHBondContact CD1-OG1 3.34Å; L148-T181 HydrophobicContact CD2-CG2 3.78Å; L148-T181 HydrophobicContact CG-CG2 4.04Å; L148-L191 HydrophobicContact CD1-CD2 4.13Å |
| 149 | Y | 95.1 | Very high | 84.4 | Confident | 9 Ų | 9 | 49.2 Ų | 49.2 | 4% | 0.035 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -110.3 | -1.7 | -179.6 | -55 | -86.6 | 0 | 0 | 0 | 112.1 | L108 K109 P110 T146 L147 S168 I171 I172 E175 T181 | L108-Y149 WeakPolarHBondContact O-CB 3.17Å; K109-Y149 HydrophobicContact CB-CD2 3.58Å; K109-Y149 HydrophobicContact CB-CE2 3.75Å; K109-Y149 HydrophobicContact CB-CG 4.01Å; P110-Y149 VanDerWaalsContact CD-CE1 3.41Å; P110-Y149 VanDerWaalsContact CD-OH 3.29Å; P110-Y149 WeakPolarHBondContact CD-OH 3.12Å; P110-Y149 HydrophobicContact CG-CE1 4.02Å; T146-Y149 HydrophobicContact CG2-CD2 4Å; T146-Y149 HydrophobicContact CG2-CE2 4.42Å; T146-Y149 PolarHBondContact O-N 3.33Å; L147-Y149 PolarHBondContact O-N 2.88Å; Y149-S168 WeakPolarHBondContact O-CA 3.37Å; Y149-S168 WeakPolarHBondContact O-CB 3.45Å; Y149-S168 PolarHBondContact O-OG 2.85Å; Y149-I171 HydrophobicContact CD1-CB 3.91Å; Y149-I171 HydrophobicContact CD1-CG2 3.43Å; Y149-I171 VanDerWaalsContact CD1-CG2 3.43Å; Y149-I171 HydrophobicContact CE1-CG2 3.72Å; Y149-I171 HydrophobicContact CG-CG2 4.31Å; Y149-I172 HydrophobicContact CD1-CG1 3.93Å; Y149-I172 HydrophobicContact CE1-CG1 4.06Å; Y149-E175 WeakPolarHBondContact CE1-OE2 3.47Å; Y149-E175 PolarHBondContact OH-OE2 3.05Å; Y149-T181 HydrophobicContact CE1-CG2 4.03Å |
| 150 | M | 93.6 | Very high | 84.7 | Confident | 14 Ų | 14 | 42.4 Ų | 42.4 | 7% | 0.069 | 23% | 0.226 | C | C | . | . | trans | -74.1 | 138.4 | -175 | -173.6 | -179.6 | -64.2 | 0 | 0 | 110.8 | V143 R144 G145 T146 L147 I154 F155 W167 | V143-M150 HydrophobicContact CG1-CE 3.66Å; V143-M150 HydrophobicContact CG1-SD 3.39Å; V143-M150 WeakPolarHBondContact CG1-SD 3.44Å; R144-M150 VanDerWaalsContact O-CE 3.27Å; R144-M150 WeakPolarHBondContact O-CE 3.14Å; G145-M150 WeakPolarHBondContact O-CE 3.36Å; T146-M150 PolarHBondContact O-N 2.83Å; L147-M150 HydrophobicContact CD1-SD 4.3Å; L147-M150 PolarHBondContact O-N 3.04Å; M150-I154 HydrophobicContact CG-CB 4Å; M150-I154 HydrophobicContact CG-CG2 4Å; M150-I154 HydrophobicContact SD-CB 4.28Å; M150-I154 HydrophobicContact SD-CG2 3.79Å; M150-F155 HydrophobicContact SD-CB 4.05Å; M150-W167 PolarHBondContact O-NE1 2.89Å | ||
| 151 | A | 92.4 | Very high | 85.1 | Confident | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.008 | 23% | 0.231 | C | C | . | . | trans | -68.6 | 140.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | E153 I154 F155 C164 W167 | A151-E153 VanDerWaalsContact C-N 3.28Å; A151-E153 VanDerWaalsContact CB-CD 3.42Å; A151-E153 HydrophobicContact CB-CG 4.47Å; A151-E153 VanDerWaalsContact CB-OE1 3.29Å; A151-E153 WeakPolarHBondContact CB-OE1 3.2Å; A151-E153 WeakPolarHBondContact CB-OE2 3.46Å; A151-E153 PolarHBondContact O-N 3.32Å; A151-I154 HydrophobicContact CB-CD1 4.17Å; A151-I154 HydrophobicContact CB-CG1 4.41Å; A151-I154 WeakPolarHBondContact O-CB 3.41Å; A151-I154 PolarHBondContact O-N 3.19Å; A151-I154 VanDerWaalsContact O-N 3.09Å; A151-F155 PolarHBondContact O-N 2.6Å; A151-C164 HydrophobicContact CB-CB 3.87Å; A151-W167 VanDerWaalsContact CA-CD1 3.42Å; A151-W167 HydrophobicContact CB-CB 3.84Å; A151-W167 HydrophobicContact CB-CG 3.86Å | ||
| 152 | P | 91.4 | Very high | 85.8 | Confident | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.006 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61 | -34.9 | -174.3 | 21.4 | -31.9 | 0 | 0 | 0 | 113.1 | I154 F155 C156 W167 L195 R224 | P152-I154 VanDerWaalsContact C-N 3.27Å; P152-I154 PolarHBondContact O-N 3.12Å; P152-F155 PolarHBondContact O-N 3.43Å; P152-C156 WeakPolarHBondContact O-CB 3.33Å; P152-C156 PolarHBondContact O-N 3.21Å; P152-C156 PolarHBondContact O-SG 2.87Å; P152-C156 VanDerWaalsContact O-SG 3.4Å; P152-W167 HydrophobicContact CG-CE3 4.37Å; P152-W167 HydrophobicContact CG-CH2 4.02Å; P152-W167 HydrophobicContact CG-CZ2 4.25Å; P152-W167 HydrophobicContact CG-CZ3 4.09Å; P152-L195 HydrophobicContact CB-CD2 4.3Å; P152-R224 HydrophobicContact CB-CG 4.07Å; P152-R224 VanDerWaalsContact CB-NH1 3.29Å; P152-R224 HydrophobicContact CG-CB 4.4Å; P152-R224 HydrophobicContact CG-CG 3.65Å |
| 153 | E | 91.1 | Very high | 86.6 | Confident | 8 Ų | 8 | 32.3 Ų | 32.3 | 4% | 0.037 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.6 | -30.9 | 177.2 | 66.5 | -84.6 | -160.5 | 0 | 0 | 113.2 | A151 E157 G158 F159 P226 R229 | A151-E153 VanDerWaalsContact C-N 3.28Å; A151-E153 VanDerWaalsContact CB-CD 3.42Å; A151-E153 HydrophobicContact CB-CG 4.47Å; A151-E153 VanDerWaalsContact CB-OE1 3.29Å; A151-E153 WeakPolarHBondContact CB-OE1 3.2Å; A151-E153 WeakPolarHBondContact CB-OE2 3.46Å; A151-E153 PolarHBondContact O-N 3.32Å; E153-E157 WeakPolarHBondContact O-CB 3.41Å; E153-E157 PolarHBondContact O-N 3.43Å; E153-E157 VanDerWaalsContact O-N 3.1Å; E153-G158 PolarHBondContact O-N 3.33Å; E153-F159 PolarHBondContact O-N 3.48Å; E153-P226 HydrophobicContact CB-CG 3.92Å; E153-P226 VanDerWaalsContact CD-CG 3.46Å; E153-P226 HydrophobicContact CG-CG 3.66Å; E153-R229 IonicContact OE1-CZ 3.52Å; E153-R229 IonicContact OE1-NH1 3.62Å; E153-R229 PolarHBondContact OE1-NH1 3.24Å; E153-R229 IonicContact OE1-NH2 2.75Å; E153-R229 PolarHBondContact OE1-NH2 3.33Å; E153-R229 IonicContact OE2-CZ 2.79Å; E153-R229 IonicContact OE2-NH1 2.78Å; E153-R229 IonicContact OE2-NH2 3.08Å; E153-R229 PolarHBondContact OE2-NH2 2.97Å |
| 154 | I | 89.4 | Confident | 87.5 | Confident | 5 Ų | 5 | 28.8 Ų | 28.8 | 3% | 0.026 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -69.8 | -47.3 | 175.2 | -65.3 | 171.6 | 0 | 0 | 0 | 109 | V143 M150 A151 P152 G158 F159 Y160 C164 | V143-I154 HydrophobicContact CG1-CG2 4.01Å; M150-I154 HydrophobicContact CG-CB 4Å; M150-I154 HydrophobicContact CG-CG2 4Å; M150-I154 HydrophobicContact SD-CB 4.28Å; M150-I154 HydrophobicContact SD-CG2 3.79Å; A151-I154 HydrophobicContact CB-CD1 4.17Å; A151-I154 HydrophobicContact CB-CG1 4.41Å; A151-I154 WeakPolarHBondContact O-CB 3.41Å; A151-I154 PolarHBondContact O-N 3.19Å; A151-I154 VanDerWaalsContact O-N 3.09Å; P152-I154 VanDerWaalsContact C-N 3.27Å; P152-I154 PolarHBondContact O-N 3.12Å; I154-G158 VanDerWaalsContact O-CA 3.25Å; I154-G158 WeakPolarHBondContact O-CA 3.42Å; I154-G158 PolarHBondContact O-N 2.92Å; I154-F159 WeakPolarHBondContact CG1-O 3.44Å; I154-Y160 HydrophobicContact CD1-CD1 3.66Å; I154-Y160 HydrophobicContact CD1-CE1 3.72Å; I154-Y160 HydrophobicContact CD1-CG 4.49Å; I154-Y160 HydrophobicContact CG1-CD1 3.9Å; I154-Y160 HydrophobicContact CG1-CE1 4.02Å; I154-Y160 HydrophobicContact CG1-CG 4.28Å; I154-Y160 HydrophobicContact CG2-CD1 4.45Å; I154-Y160 HydrophobicContact CG2-CE1 3.77Å; I154-Y160 HydrophobicContact CG2-CE2 4.07Å; I154-C164 HydrophobicContact CD1-CB 3.53Å; I154-C164 HydrophobicContact CG1-CB 4.33Å |
| 155 | F | 87 | Confident | 88.5 | Confident | 52 Ų | 52 | 28 Ų | 28 | 23% | 0.228 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -69.1 | -45.5 | -177.3 | 179.1 | -107.7 | 0 | 0 | 0 | 112.8 | L147 M150 A151 P152 K192 L195 V196 | L147-F155 HydrophobicContact CD1-CD2 3.58Å; L147-F155 HydrophobicContact CD1-CE2 4Å; L147-F155 HydrophobicContact CD1-CG 4.04Å; M150-F155 HydrophobicContact SD-CB 4.05Å; A151-F155 PolarHBondContact O-N 2.6Å; P152-F155 PolarHBondContact O-N 3.43Å; F155-K192 HydrophobicContact CE1-CB 4.08Å; F155-K192 HydrophobicContact CE1-CG 4.27Å; F155-K192 HydrophobicContact CE2-CD 4.48Å; F155-K192 HydrophobicContact CE2-CG 3.99Å; F155-K192 HydrophobicContact CZ-CB 3.71Å; F155-K192 HydrophobicContact CZ-CD 4.14Å; F155-K192 HydrophobicContact CZ-CG 3.51Å; F155-L195 HydrophobicContact CB-CD1 4.48Å; F155-L195 HydrophobicContact CD1-CB 3.81Å; F155-L195 HydrophobicContact CD1-CD1 4.01Å; F155-L195 HydrophobicContact CE1-CB 4.18Å; F155-L195 HydrophobicContact CG-CD1 4.22Å; F155-V196 HydrophobicContact CD1-CG2 4.49Å; F155-V196 HydrophobicContact CE1-CG2 3.91Å |
| 156 | C | 86.6 | Confident | 89.4 | Confident | 51 Ų | 51 | 26.8 Ų | 26.8 | 35% | 0.345 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -79.7 | -35.7 | -174 | -66 | 0 | 0 | 0 | 0 | 113.1 | P152 L195 R224 | P152-C156 WeakPolarHBondContact O-CB 3.33Å; P152-C156 PolarHBondContact O-N 3.21Å; P152-C156 PolarHBondContact O-SG 2.87Å; P152-C156 VanDerWaalsContact O-SG 3.4Å; C156-L195 PolarHBondContact SG-O 3.43Å; C156-R224 PolarHBondContact SG-NH2 2.92Å; C156-R224 VanDerWaalsContact SG-NH2 3.4Å |
| 157 | E | 83.3 | Confident | 89.9 | Confident | 112 Ų | 112 | 25 Ų | 25 | 52% | 0.523 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -124.3 | -12.9 | -167.7 | -53.8 | 173.7 | -148 | 0 | 0 | 113.6 | E153 F159 | E153-E157 WeakPolarHBondContact O-CB 3.41Å; E153-E157 PolarHBondContact O-N 3.43Å; E153-E157 VanDerWaalsContact O-N 3.1Å; E157-F159 HydrophobicContact CB-CD2 3.49Å; E157-F159 VanDerWaalsContact CB-CD2 3.49Å; E157-F159 HydrophobicContact CB-CE2 4.1Å; E157-F159 HydrophobicContact CB-CG 4.47Å; E157-F159 HydrophobicContact CG-CD2 4.49Å; E157-F159 PolarHBondContact O-N 3.08Å; E157-F159 WeakPolarHBondContact OE2-CD2 3.45Å |
| 158 | G | 83.9 | Confident | 90.2 | Very high | 9 Ų | 9 | 23.7 Ų | 23.7 | 9% | 0.093 | 12% | 0.121 | C | C | . | . | trans | 70.3 | 16.9 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | K140 E153 I154 | K140-G158 PolarHBondContact N-O 3.49Å; E153-G158 PolarHBondContact O-N 3.33Å; I154-G158 VanDerWaalsContact O-CA 3.25Å; I154-G158 WeakPolarHBondContact O-CA 3.42Å; I154-G158 PolarHBondContact O-N 2.92Å | ||
| 159 | F | 85.2 | Confident | 90.5 | Very high | 72 Ų | 72 | 21.3 Ų | 21.3 | 32% | 0.316 | 11% | 0.109 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 126 | 176.9 | -75.1 | -70.5 | 0 | 0 | 0 | 110.9 | T137 K139 E153 I154 E157 | T137-F159 HydrophobicContact CG2-CB 4.43Å; T137-F159 HydrophobicContact CG2-CD1 4.25Å; K139-F159 HydrophobicContact CB-CD1 3.81Å; K139-F159 HydrophobicContact CB-CE1 3.58Å; K139-F159 HydrophobicContact CB-CZ 4.39Å; K139-F159 HydrophobicContact CD-CE1 4Å; K139-F159 HydrophobicContact CD-CZ 3.95Å; K139-F159 HydrophobicContact CG-CD1 4.16Å; K139-F159 HydrophobicContact CG-CE1 3.91Å; K139-F159 HydrophobicContact CG-CZ 4.28Å; E153-F159 PolarHBondContact O-N 3.48Å; I154-F159 WeakPolarHBondContact CG1-O 3.44Å; E157-F159 HydrophobicContact CB-CD2 3.49Å; E157-F159 VanDerWaalsContact CB-CD2 3.49Å; E157-F159 HydrophobicContact CB-CE2 4.1Å; E157-F159 HydrophobicContact CB-CG 4.47Å; E157-F159 HydrophobicContact CG-CD2 4.49Å; E157-F159 PolarHBondContact O-N 3.08Å; E157-F159 WeakPolarHBondContact OE2-CD2 3.45Å |
| 160 | Y | 83.4 | Confident | 90.6 | Very high | 1 Ų | 1 | 20.9 Ų | 20.9 | 0% | 0.004 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 98.8 | 172.5 | -70.1 | -98.4 | 0 | 0 | 0 | 108.6 | M106 T137 A138 K140 E142 V143 R144 I154 | M106-Y160 HydrophobicContact CB-CE1 4.42Å; M106-Y160 HydrophobicContact CG-CD1 4.05Å; M106-Y160 HydrophobicContact CG-CE1 4.21Å; M106-Y160 HydrophobicContact SD-CD1 3.32Å; M106-Y160 WeakPolarHBondContact SD-CD1 3.47Å; M106-Y160 HydrophobicContact SD-CE1 3.51Å; M106-Y160 VanDerWaalsContact SD-CE1 3.51Å; M106-Y160 HydrophobicContact SD-CG 4.18Å; T137-Y160 WeakPolarHBondContact CA-O 3.12Å; A138-Y160 PolarHBondContact N-O 2.91Å; A138-Y160 PolarHBondContact O-N 3.25Å; K140-Y160 HydrophobicContact CB-CD2 3.9Å; K140-Y160 HydrophobicContact CB-CE2 3.71Å; K140-Y160 HydrophobicContact CD-CD2 3.68Å; K140-Y160 HydrophobicContact CD-CE2 3.78Å; K140-Y160 HydrophobicContact CD-CG 4.26Å; K140-Y160 HydrophobicContact CG-CD2 3.71Å; K140-Y160 HydrophobicContact CG-CE2 3.96Å; E142-Y160 PolarHBondContact O-OH 3.4Å; V143-Y160 WeakPolarHBondContact CA-OH 3.4Å; R144-Y160 WeakPolarHBondContact CB-OH 3.45Å; R144-Y160 PolarHBondContact N-OH 3.04Å; I154-Y160 HydrophobicContact CD1-CD1 3.66Å; I154-Y160 HydrophobicContact CD1-CE1 3.72Å; I154-Y160 HydrophobicContact CD1-CG 4.49Å; I154-Y160 HydrophobicContact CG1-CD1 3.9Å; I154-Y160 HydrophobicContact CG1-CE1 4.02Å; I154-Y160 HydrophobicContact CG1-CG 4.28Å; I154-Y160 HydrophobicContact CG2-CD1 4.45Å; I154-Y160 HydrophobicContact CG2-CE1 3.77Å; I154-Y160 HydrophobicContact CG2-CE2 4.07Å |
| 161 | H | 85 | Confident | 90.8 | Very high | 59 Ų | 59 | 20.2 Ų | 20.2 | 27% | 0.273 | 10% | 0.104 | S | C | . | . | trans | -83.2 | 143.8 | 169.2 | -170.5 | -95.1 | 0 | 0 | 0 | 109.6 | T137 S163 C164 P226 | T137-H161 PolarHBondContact OG1-CD2 3.06Å; T137-H161 VanDerWaalsContact OG1-CD2 3.24Å; H161-S163 PolarHBondContact CE1-OG 3.09Å; H161-S163 PolarHBondContact ND1-N 3Å; H161-S163 VanDerWaalsContact ND1-N 3.17Å; H161-S163 PolarHBondContact ND1-OG 3.38Å; H161-S163 PolarHBondContact O-N 3.19Å; H161-C164 WeakPolarHBondContact O-CB 3.4Å; H161-C164 PolarHBondContact O-N 3.01Å; H161-C164 PolarHBondContact O-SG 3.46Å; H161-P226 HydrophobicContact CB-CB 4.14Å | ||
| 162 | P | 81.9 | Confident | 91.1 | Very high | 30 Ų | 30 | 20.4 Ų | 20.4 | 20% | 0.195 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -29.3 | 178.4 | -29.4 | 36.2 | 0 | 0 | 0 | 114.2 | C164 H232 | P162-C164 VanDerWaalsContact C-N 3.27Å; P162-C164 PolarHBondContact O-N 3.36Å; P162-H232 PolarHBondContact O-CE1 3.38Å |
| 163 | S | 90.6 | Very high | 91.4 | Very high | 3 Ų | 3 | 20.4 Ų | 20.4 | 2% | 0.021 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | 9 | 178 | 71.3 | 0 | 0 | 0 | 0 | 115.2 | H161 D165 L166 W167 R229 | H161-S163 PolarHBondContact CE1-OG 3.09Å; H161-S163 PolarHBondContact ND1-N 3Å; H161-S163 VanDerWaalsContact ND1-N 3.17Å; H161-S163 PolarHBondContact ND1-OG 3.38Å; H161-S163 PolarHBondContact O-N 3.19Å; S163-D165 VanDerWaalsContact C-N 3.34Å; S163-L166 WeakPolarHBondContact O-CB 3.47Å; S163-L166 PolarHBondContact O-N 3.45Å; S163-L166 VanDerWaalsContact O-N 3.16Å; S163-W167 PolarHBondContact O-N 3.39Å; S163-R229 PolarHBondContact O-NH1 2.98Å |
| 164 | C | 94.1 | Very high | 91.6 | Very high | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.007 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -64 | -38.4 | 177.1 | 61 | 0 | 0 | 0 | 0 | 112.5 | V104 A151 I154 H161 P162 L166 W167 S168 | V104-C164 VanDerWaalsContact CG1-SG 3.59Å; A151-C164 HydrophobicContact CB-CB 3.87Å; I154-C164 HydrophobicContact CD1-CB 3.53Å; I154-C164 HydrophobicContact CG1-CB 4.33Å; H161-C164 WeakPolarHBondContact O-CB 3.4Å; H161-C164 PolarHBondContact O-N 3.01Å; H161-C164 PolarHBondContact O-SG 3.46Å; P162-C164 VanDerWaalsContact C-N 3.27Å; P162-C164 PolarHBondContact O-N 3.36Å; C164-L166 PolarHBondContact O-N 3.21Å; C164-W167 WeakPolarHBondContact O-CB 3.42Å; C164-W167 PolarHBondContact O-N 3.47Å; C164-W167 VanDerWaalsContact O-N 3.08Å; C164-S168 PolarHBondContact O-N 2.91Å; C164-S168 PolarHBondContact O-OG 2.86Å |
| 165 | D | 95.7 | Very high | 91.9 | Very high | 3 Ų | 3 | 22.1 Ų | 22.1 | 2% | 0.016 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -61.2 | -31.2 | 173.9 | -79.6 | -14.7 | 0 | 0 | 0 | 111.5 | V104 H105 M106 L108 S163 S168 I169 | V104-D165 WeakPolarHBondContact CG1-OD2 3.25Å; H105-D165 PolarHBondContact N-OD2 2.97Å; M106-D165 PolarHBondContact N-OD1 3.1Å; L108-D165 HydrophobicContact CD1-CB 3.66Å; S163-D165 VanDerWaalsContact C-N 3.34Å; D165-S168 WeakPolarHBondContact O-CB 3.43Å; D165-S168 PolarHBondContact O-N 3.28Å; D165-I169 WeakPolarHBondContact O-CG1 3.27Å; D165-I169 PolarHBondContact O-N 3.02Å |
| 166 | L | 97.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -68.7 | -32.4 | 176 | -61 | -178.2 | 0 | 0 | 0 | 112.4 | L95 S163 C164 I169 G170 L221 L230 F235 | L95-L166 HydrophobicContact CD1-CD2 3.83Å; S163-L166 WeakPolarHBondContact O-CB 3.47Å; S163-L166 PolarHBondContact O-N 3.45Å; S163-L166 VanDerWaalsContact O-N 3.16Å; C164-L166 PolarHBondContact O-N 3.21Å; L166-I169 HydrophobicContact CD2-CD1 4.46Å; L166-I169 PolarHBondContact O-N 2.69Å; L166-G170 PolarHBondContact O-N 2.88Å; L166-L221 HydrophobicContact CB-CD2 3.88Å; L166-L230 WeakPolarHBondContact CD1-O 3.47Å; L166-F235 HydrophobicContact CD1-CB 4.3Å; L166-F235 HydrophobicContact CD2-CB 4.21Å; L166-F235 HydrophobicContact CD2-CD1 3.61Å; L166-F235 HydrophobicContact CD2-CD2 4.39Å; L166-F235 HydrophobicContact CD2-CE1 4.05Å; L166-F235 HydrophobicContact CD2-CG 3.81Å |
| 167 | W | 96.8 | Very high | 92.8 | Very high | 9 Ų | 9 | 18 Ų | 18 | 3% | 0.034 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -64 | -48 | 170 | 171.1 | -83.5 | 0 | 0 | 0 | 110.9 | M150 A151 P152 S163 C164 I169 G170 I171 I202 L222 | M150-W167 PolarHBondContact O-NE1 2.89Å; A151-W167 VanDerWaalsContact CA-CD1 3.42Å; A151-W167 HydrophobicContact CB-CB 3.84Å; A151-W167 HydrophobicContact CB-CG 3.86Å; P152-W167 HydrophobicContact CG-CE3 4.37Å; P152-W167 HydrophobicContact CG-CH2 4.02Å; P152-W167 HydrophobicContact CG-CZ2 4.25Å; P152-W167 HydrophobicContact CG-CZ3 4.09Å; S163-W167 PolarHBondContact O-N 3.39Å; C164-W167 WeakPolarHBondContact O-CB 3.42Å; C164-W167 PolarHBondContact O-N 3.47Å; C164-W167 VanDerWaalsContact O-N 3.08Å; W167-I169 PolarHBondContact O-N 2.53Å; W167-G170 WeakPolarHBondContact O-CA 3.36Å; W167-G170 PolarHBondContact O-N 2.92Å; W167-I171 HydrophobicContact CZ2-CD1 4.32Å; W167-I171 PolarHBondContact O-N 3.26Å; W167-I202 HydrophobicContact CH2-CD1 4.06Å; W167-I202 HydrophobicContact CZ2-CD1 4.37Å; W167-L222 HydrophobicContact CD2-CD2 4.44Å; W167-L222 HydrophobicContact CE3-CD2 4.39Å |
| 168 | S | 97.5 | Very high | 93.3 | Very high | 7 Ų | 7 | 14.4 Ų | 14.4 | 5% | 0.049 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -57.6 | -40.6 | 177.8 | -54.8 | 0 | 0 | 0 | 0 | 111.4 | Y149 C164 D165 G170 I171 I172 | Y149-S168 WeakPolarHBondContact O-CA 3.37Å; Y149-S168 WeakPolarHBondContact O-CB 3.45Å; Y149-S168 PolarHBondContact O-OG 2.85Å; C164-S168 PolarHBondContact O-N 2.91Å; C164-S168 PolarHBondContact O-OG 2.86Å; D165-S168 WeakPolarHBondContact O-CB 3.43Å; D165-S168 PolarHBondContact O-N 3.28Å; S168-G170 VanDerWaalsContact C-N 3.35Å; S168-G170 PolarHBondContact O-N 3.21Å; S168-I171 PolarHBondContact O-N 3.28Å; S168-I172 WeakPolarHBondContact O-CD1 3.15Å; S168-I172 VanDerWaalsContact O-CG1 3.28Å; S168-I172 WeakPolarHBondContact O-CG1 3.05Å; S168-I172 PolarHBondContact O-N 3.05Å |
| 169 | I | 98.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -61.2 | -41.2 | 171.5 | -69.8 | -178 | 0 | 0 | 0 | 112 | L88 L91 L95 L108 D165 L166 W167 I171 I172 L173 L221 F235 | L88-I169 HydrophobicContact CD2-CG2 3.71Å; L91-I169 HydrophobicContact CD1-CD1 4.49Å; L91-I169 HydrophobicContact CD2-CD1 3.54Å; L91-I169 HydrophobicContact CD2-CG1 3.63Å; L91-I169 HydrophobicContact CD2-CG2 4.33Å; L91-I169 HydrophobicContact CG-CD1 3.72Å; L91-I169 HydrophobicContact CG-CG1 4.34Å; L95-I169 HydrophobicContact CD1-CD1 3.21Å; L95-I169 HydrophobicContact CG-CD1 4.17Å; L108-I169 HydrophobicContact CD1-CD1 4.3Å; L108-I169 HydrophobicContact CD1-CG1 4.02Å; D165-I169 WeakPolarHBondContact O-CG1 3.27Å; D165-I169 PolarHBondContact O-N 3.02Å; L166-I169 HydrophobicContact CD2-CD1 4.46Å; L166-I169 PolarHBondContact O-N 2.69Å; W167-I169 PolarHBondContact O-N 2.53Å; I169-I171 VanDerWaalsContact C-N 3.29Å; I169-I171 PolarHBondContact O-N 3.22Å; I169-I172 PolarHBondContact O-N 3.4Å; I169-L173 VanDerWaalsContact O-CB 3.28Å; I169-L173 WeakPolarHBondContact O-CB 3.33Å; I169-L173 PolarHBondContact O-N 2.92Å; I169-L221 HydrophobicContact CG2-CD1 4.01Å; I169-F235 HydrophobicContact CD1-CE1 4.42Å; I169-F235 HydrophobicContact CD1-CZ 4.21Å; I169-F235 HydrophobicContact CG2-CE2 4.33Å; I169-F235 HydrophobicContact CG2-CZ 4.27Å |
| 170 | G | 98.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -57.9 | -41.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L166 W167 S168 L173 Y174 L218 | L166-G170 PolarHBondContact O-N 2.88Å; W167-G170 WeakPolarHBondContact O-CA 3.36Å; W167-G170 PolarHBondContact O-N 2.92Å; S168-G170 VanDerWaalsContact C-N 3.35Å; S168-G170 PolarHBondContact O-N 3.21Å; G170-L173 PolarHBondContact O-N 3.06Å; G170-Y174 WeakPolarHBondContact O-CB 3.3Å; G170-Y174 PolarHBondContact O-N 2.91Å; G170-L218 VanDerWaalsContact O-CD1 3.29Å; G170-L218 WeakPolarHBondContact O-CD1 3.36Å |
| 171 | I | 97.3 | Very high | 94.4 | Very high | 1 Ų | 1 | 15.7 Ų | 15.7 | 1% | 0.005 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -68.4 | -43 | 176.3 | -58.3 | -63.8 | 0 | 0 | 0 | 111.1 | Y149 W167 S168 I169 L173 Y174 E175 T181 P182 I202 L222 | Y149-I171 HydrophobicContact CD1-CB 3.91Å; Y149-I171 HydrophobicContact CD1-CG2 3.43Å; Y149-I171 VanDerWaalsContact CD1-CG2 3.43Å; Y149-I171 HydrophobicContact CE1-CG2 3.72Å; Y149-I171 HydrophobicContact CG-CG2 4.31Å; W167-I171 HydrophobicContact CZ2-CD1 4.32Å; W167-I171 PolarHBondContact O-N 3.26Å; S168-I171 PolarHBondContact O-N 3.28Å; I169-I171 VanDerWaalsContact C-N 3.29Å; I169-I171 PolarHBondContact O-N 3.22Å; I171-L173 VanDerWaalsContact C-N 3.34Å; I171-L173 PolarHBondContact O-N 3.36Å; I171-Y174 WeakPolarHBondContact O-CB 3.45Å; I171-Y174 PolarHBondContact O-N 2.99Å; I171-E175 PolarHBondContact O-N 2.81Å; I171-T181 HydrophobicContact CG2-CG2 3.81Å; I171-P182 HydrophobicContact CD1-CG 4.01Å; I171-I202 HydrophobicContact CD1-CD1 4.34Å; I171-L222 HydrophobicContact CD1-CD2 3.69Å; I171-L222 HydrophobicContact CG1-CD2 4.14Å |
| 172 | I | 98.1 | Very high | 94.6 | Very high | 5 Ų | 5 | 14.4 Ų | 14.4 | 3% | 0.026 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -62.2 | -42.5 | 176.1 | -66.7 | 160.1 | 0 | 0 | 0 | 110.8 | L69 L108 P110 I113 Y149 S168 I169 E175 C176 | L69-I172 HydrophobicContact CD2-CG2 3.97Å; L108-I172 HydrophobicContact CB-CD1 4.24Å; P110-I172 HydrophobicContact CG-CG1 4.29Å; I113-I172 HydrophobicContact CD1-CD1 3.89Å; I113-I172 HydrophobicContact CD1-CG2 4.4Å; Y149-I172 HydrophobicContact CD1-CG1 3.93Å; Y149-I172 HydrophobicContact CE1-CG1 4.06Å; S168-I172 WeakPolarHBondContact O-CD1 3.15Å; S168-I172 VanDerWaalsContact O-CG1 3.28Å; S168-I172 WeakPolarHBondContact O-CG1 3.05Å; S168-I172 PolarHBondContact O-N 3.05Å; I169-I172 PolarHBondContact O-N 3.4Å; I172-E175 PolarHBondContact O-N 2.95Å; I172-C176 WeakPolarHBondContact O-CB 3.19Å; I172-C176 PolarHBondContact O-N 2.93Å; I172-C176 PolarHBondContact O-SG 2.99Å |
| 173 | L | 98 | Very high | 94.8 | Very high | 1 Ų | 1 | 14 Ų | 14 | 1% | 0.005 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -60.8 | -47.7 | 175.6 | 174.2 | 54.7 | 0 | 0 | 0 | 110.7 | V84 L88 I169 G170 I171 E175 C176 L177 L217 L218 L221 | V84-L173 HydrophobicContact CG1-CD1 3.31Å; L88-L173 HydrophobicContact CD1-CD1 3.84Å; L88-L173 HydrophobicContact CD1-CD2 4.07Å; L88-L173 HydrophobicContact CD1-CG 4.4Å; I169-L173 VanDerWaalsContact O-CB 3.28Å; I169-L173 WeakPolarHBondContact O-CB 3.33Å; I169-L173 PolarHBondContact O-N 2.92Å; G170-L173 PolarHBondContact O-N 3.06Å; I171-L173 VanDerWaalsContact C-N 3.34Å; I171-L173 PolarHBondContact O-N 3.36Å; L173-E175 VanDerWaalsContact C-N 3.32Å; L173-E175 PolarHBondContact O-N 2.95Å; L173-C176 PolarHBondContact O-N 2.92Å; L173-L177 HydrophobicContact CD1-CD1 3.62Å; L173-L177 HydrophobicContact CD1-CD2 4.47Å; L173-L177 HydrophobicContact CD1-CG 3.93Å; L173-L177 HydrophobicContact CG-CD1 3.89Å; L173-L177 VanDerWaalsContact O-CG 3.26Å; L173-L177 WeakPolarHBondContact O-CG 3.35Å; L173-L177 PolarHBondContact O-N 3.23Å; L173-L217 HydrophobicContact CD2-CD2 3.92Å; L173-L217 HydrophobicContact CD2-CG 4.13Å; L173-L218 HydrophobicContact CB-CD1 4.23Å; L173-L218 HydrophobicContact CD2-CB 4.04Å; L173-L218 HydrophobicContact CD2-CD1 3.97Å; L173-L218 HydrophobicContact CG-CD1 3.99Å; L173-L221 HydrophobicContact CD2-CD1 4.3Å |
| 174 | Y | 96.5 | Very high | 94.3 | Very high | 20 Ų | 20 | 16 Ų | 16 | 8% | 0.078 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -55.9 | -48 | 175 | -170.6 | -76.1 | 0 | 0 | 0 | 111.2 | G170 I171 C176 L177 F178 T180 P182 I202 L204 L218 L222 | G170-Y174 WeakPolarHBondContact O-CB 3.3Å; G170-Y174 PolarHBondContact O-N 2.91Å; I171-Y174 WeakPolarHBondContact O-CB 3.45Å; I171-Y174 PolarHBondContact O-N 2.99Å; Y174-C176 VanDerWaalsContact C-N 3.34Å; Y174-C176 PolarHBondContact O-N 3.48Å; Y174-L177 PolarHBondContact O-N 3.36Å; Y174-F178 HydrophobicContact CD1-CB 4.37Å; Y174-F178 AromaticContact CD1-CD2 3.68Å; Y174-F178 HydrophobicContact CD1-CD2 3.68Å; Y174-F178 HydrophobicContact CD1-CG 4.49Å; Y174-F178 AromaticContact CD2-CD2 3.7Å; Y174-F178 HydrophobicContact CD2-CD2 3.7Å; Y174-F178 AromaticContact CD2-CE2 3.77Å; Y174-F178 HydrophobicContact CD2-CE2 3.77Å; Y174-F178 HydrophobicContact CE1-CB 4.07Å; Y174-F178 AromaticContact CE1-CD2 3.68Å; Y174-F178 HydrophobicContact CE1-CD2 3.68Å; Y174-F178 HydrophobicContact CE1-CG 4.25Å; Y174-F178 AromaticContact CE2-CD2 3.71Å; Y174-F178 HydrophobicContact CE2-CD2 3.71Å; Y174-F178 AromaticContact CE2-CE2 3.83Å; Y174-F178 HydrophobicContact CE2-CE2 3.83Å; Y174-F178 AromaticContact CG-CD2 3.68Å; Y174-F178 HydrophobicContact CG-CD2 3.68Å; Y174-F178 HydrophobicContact CG-CE2 4.15Å; Y174-F178 AromaticContact CZ-CD2 3.7Å; Y174-F178 VanDerWaalsContact O-CD2 3.25Å; Y174-F178 WeakPolarHBondContact O-CD2 3.39Å; Y174-F178 PolarHBondContact O-N 2.89Å; Y174-T180 WeakPolarHBondContact CD1-O 3.44Å; Y174-T180 VanDerWaalsContact CE1-O 3.22Å; Y174-T180 WeakPolarHBondContact CE1-O 3.33Å; Y174-P182 VanDerWaalsContact CD1-CD 3.43Å; Y174-P182 HydrophobicContact CD1-CG 3.68Å; Y174-P182 HydrophobicContact CD2-CG 3.76Å; Y174-P182 HydrophobicContact CE1-CB 4.34Å; Y174-P182 HydrophobicContact CE1-CG 3.9Å; Y174-P182 HydrophobicContact CE2-CB 4.47Å; Y174-P182 HydrophobicContact CE2-CG 3.97Å; Y174-P182 HydrophobicContact CG-CG 3.62Å; Y174-I202 HydrophobicContact CD2-CG2 4.47Å; Y174-I202 HydrophobicContact CE2-CG2 4.12Å; Y174-L204 HydrophobicContact CD2-CD2 3.99Å; Y174-L204 HydrophobicContact CE2-CD2 3.86Å; Y174-L218 HydrophobicContact CD2-CD2 4.17Å; Y174-L222 HydrophobicContact CD2-CD1 4.36Å |
| 175 | E | 96 | Very high | 93.7 | Very high | 28 Ų | 28 | 24.6 Ų | 24.6 | 13% | 0.131 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -63.4 | -38.9 | 179.2 | -166.5 | -178.7 | 170.4 | 0 | 0 | 112.2 | L73 P110 Y149 I171 I172 L173 L177 G179 T181 | L73-E175 HydrophobicContact CD1-CG 4.07Å; P110-E175 WeakPolarHBondContact CG-OE2 3.47Å; Y149-E175 WeakPolarHBondContact CE1-OE2 3.47Å; Y149-E175 PolarHBondContact OH-OE2 3.05Å; I171-E175 PolarHBondContact O-N 2.81Å; I172-E175 PolarHBondContact O-N 2.95Å; L173-E175 VanDerWaalsContact C-N 3.32Å; L173-E175 PolarHBondContact O-N 2.95Å; E175-L177 VanDerWaalsContact C-N 3.33Å; E175-L177 PolarHBondContact O-N 3.11Å; E175-G179 WeakPolarHBondContact O-CA 3.29Å; E175-G179 PolarHBondContact O-N 2.82Å; E175-T181 HydrophobicContact CB-CG2 4.09Å; E175-T181 HydrophobicContact CG-CG2 4.07Å; E175-T181 WeakPolarHBondContact OE2-CG2 3.38Å |
| 176 | C | 96.6 | Very high | 93.3 | Very high | 6 Ų | 6 | 26.5 Ų | 26.5 | 4% | 0.041 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63.4 | -38.5 | 176.1 | -68.7 | 0 | 0 | 0 | 0 | 112.6 | L73 L79 V84 I172 L173 Y174 | L73-C176 HydrophobicContact CD2-CB 4.3Å; L79-C176 HydrophobicContact CD1-CB 4.21Å; L79-C176 HydrophobicContact CG-CB 4.45Å; L79-C176 PolarHBondContact N-O 3.35Å; V84-C176 HydrophobicContact CG2-CB 3.82Å; I172-C176 WeakPolarHBondContact O-CB 3.19Å; I172-C176 PolarHBondContact O-N 2.93Å; I172-C176 PolarHBondContact O-SG 2.99Å; L173-C176 PolarHBondContact O-N 2.92Å; Y174-C176 VanDerWaalsContact C-N 3.34Å; Y174-C176 PolarHBondContact O-N 3.48Å |
| 177 | L | 95 | Very high | 92.8 | Very high | 11 Ų | 11 | 29.7 Ų | 29.7 | 6% | 0.058 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -79.9 | -42.6 | -176.7 | -65.1 | 167.7 | 0 | 0 | 0 | 112.4 | V84 L173 Y174 E175 I210 L218 | V84-L177 HydrophobicContact CG1-CD2 4.37Å; V84-L177 HydrophobicContact CG2-CD2 4.29Å; L173-L177 HydrophobicContact CD1-CD1 3.62Å; L173-L177 HydrophobicContact CD1-CD2 4.47Å; L173-L177 HydrophobicContact CD1-CG 3.93Å; L173-L177 HydrophobicContact CG-CD1 3.89Å; L173-L177 VanDerWaalsContact O-CG 3.26Å; L173-L177 WeakPolarHBondContact O-CG 3.35Å; L173-L177 PolarHBondContact O-N 3.23Å; Y174-L177 PolarHBondContact O-N 3.36Å; E175-L177 VanDerWaalsContact C-N 3.33Å; E175-L177 PolarHBondContact O-N 3.11Å; L177-I210 HydrophobicContact CB-CG2 4.48Å; L177-I210 HydrophobicContact CD1-CD1 4.45Å; L177-I210 HydrophobicContact CD1-CG2 4.28Å; L177-I210 HydrophobicContact CD2-CG2 3.95Å; L177-I210 HydrophobicContact CG-CG2 4.45Å; L177-L218 HydrophobicContact CD1-CD2 4.16Å |
| 178 | F | 93 | Very high | 92.3 | Very high | 37 Ų | 37 | 33.7 Ų | 33.7 | 16% | 0.162 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -108.9 | -7.3 | -170 | -53.9 | -62.8 | 0 | 0 | 0 | 113.8 | Y174 T180 L204 P205 I210 L218 | Y174-F178 HydrophobicContact CD1-CB 4.37Å; Y174-F178 AromaticContact CD1-CD2 3.68Å; Y174-F178 HydrophobicContact CD1-CD2 3.68Å; Y174-F178 HydrophobicContact CD1-CG 4.49Å; Y174-F178 AromaticContact CD2-CD2 3.7Å; Y174-F178 HydrophobicContact CD2-CD2 3.7Å; Y174-F178 AromaticContact CD2-CE2 3.77Å; Y174-F178 HydrophobicContact CD2-CE2 3.77Å; Y174-F178 HydrophobicContact CE1-CB 4.07Å; Y174-F178 AromaticContact CE1-CD2 3.68Å; Y174-F178 HydrophobicContact CE1-CD2 3.68Å; Y174-F178 HydrophobicContact CE1-CG 4.25Å; Y174-F178 AromaticContact CE2-CD2 3.71Å; Y174-F178 HydrophobicContact CE2-CD2 3.71Å; Y174-F178 AromaticContact CE2-CE2 3.83Å; Y174-F178 HydrophobicContact CE2-CE2 3.83Å; Y174-F178 AromaticContact CG-CD2 3.68Å; Y174-F178 HydrophobicContact CG-CD2 3.68Å; Y174-F178 HydrophobicContact CG-CE2 4.15Å; Y174-F178 AromaticContact CZ-CD2 3.7Å; Y174-F178 VanDerWaalsContact O-CD2 3.25Å; Y174-F178 WeakPolarHBondContact O-CD2 3.39Å; Y174-F178 PolarHBondContact O-N 2.89Å; F178-T180 PolarHBondContact O-N 3.45Å; F178-L204 HydrophobicContact CE2-CD2 4.32Å; F178-P205 HydrophobicContact CD1-CB 4.38Å; F178-P205 HydrophobicContact CD1-CG 3.76Å; F178-P205 HydrophobicContact CD2-CG 4.43Å; F178-P205 HydrophobicContact CE1-CB 4.3Å; F178-P205 HydrophobicContact CE1-CG 3.92Å; F178-P205 HydrophobicContact CG-CG 4.02Å; F178-P205 HydrophobicContact CZ-CG 4.34Å; F178-I210 HydrophobicContact CZ-CD1 4.23Å; F178-L218 HydrophobicContact CE2-CD2 3.96Å |
| 179 | G | 91.8 | Very high | 91.8 | Very high | 30 Ų | 30 | 39.1 Ų | 39.1 | 31% | 0.309 | 22% | 0.218 | S | C | . | . | S | Bend | trans | 78.2 | -2.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 116 | R77 E175 | R77-G179 WeakPolarHBondContact O-CA 3.42Å; E175-G179 WeakPolarHBondContact O-CA 3.29Å; E175-G179 PolarHBondContact O-N 2.82Å |
| 180 | T | 91.6 | Very high | 91.4 | Very high | 69 Ų | 69 | 43.2 Ų | 43.2 | 42% | 0.423 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -142.4 | 151.8 | 172.2 | 59.1 | 0 | 0 | 0 | 0 | 108.9 | Y174 F178 | Y174-T180 WeakPolarHBondContact CD1-O 3.44Å; Y174-T180 VanDerWaalsContact CE1-O 3.22Å; Y174-T180 WeakPolarHBondContact CE1-O 3.33Å; F178-T180 PolarHBondContact O-N 3.45Å |
| 181 | T | 92.9 | Very high | 90.9 | Very high | 9 Ų | 9 | 43.6 Ų | 43.6 | 6% | 0.055 | 24% | 0.239 | C | C | . | . | trans | -69.1 | 161.4 | 170.6 | 61.6 | 0 | 0 | 0 | 0 | 111 | L148 Y149 I171 E175 Y183 G184 | L148-T181 WeakPolarHBondContact CD1-OG1 3.34Å; L148-T181 HydrophobicContact CD2-CG2 3.78Å; L148-T181 HydrophobicContact CG-CG2 4.04Å; Y149-T181 HydrophobicContact CE1-CG2 4.03Å; I171-T181 HydrophobicContact CG2-CG2 3.81Å; E175-T181 HydrophobicContact CB-CG2 4.09Å; E175-T181 HydrophobicContact CG-CG2 4.07Å; E175-T181 WeakPolarHBondContact OE2-CG2 3.38Å; T181-Y183 PolarHBondContact O-N 2.98Å; T181-G184 PolarHBondContact O-N 3.32Å; T181-G184 VanDerWaalsContact OG1-CA 3.3Å; T181-G184 WeakPolarHBondContact OG1-CA 3.49Å; T181-G184 PolarHBondContact OG1-N 3.47Å; T181-G184 VanDerWaalsContact OG1-N 3.11Å | ||
| 182 | P | 89.8 | Confident | 90.4 | Very high | 32 Ų | 32 | 47.8 Ų | 47.8 | 21% | 0.208 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -24 | 178.7 | -25.3 | 34.3 | 0 | 0 | 0 | 114.3 | I171 Y174 I202 | I171-P182 HydrophobicContact CD1-CG 4.01Å; Y174-P182 VanDerWaalsContact CD1-CD 3.43Å; Y174-P182 HydrophobicContact CD1-CG 3.68Å; Y174-P182 HydrophobicContact CD2-CG 3.76Å; Y174-P182 HydrophobicContact CE1-CB 4.34Å; Y174-P182 HydrophobicContact CE1-CG 3.9Å; Y174-P182 HydrophobicContact CE2-CB 4.47Å; Y174-P182 HydrophobicContact CE2-CG 3.97Å; Y174-P182 HydrophobicContact CG-CG 3.62Å; P182-I202 HydrophobicContact CB-CD1 4.3Å; P182-I202 HydrophobicContact CB-CG2 3.79Å; P182-I202 HydrophobicContact CG-CD1 4.18Å; P182-I202 HydrophobicContact CG-CG2 3.92Å |
| 183 | Y | 86.5 | Confident | 89.9 | Confident | 21 Ų | 21 | 53.5 Ų | 53.5 | 8% | 0.082 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118.6 | 20.6 | -178 | -50.4 | -67.7 | 0 | 0 | 0 | 112.2 | T181 Q185 I186 L191 K194 M198 I202 | T181-Y183 PolarHBondContact O-N 2.98Å; Y183-Q185 PolarHBondContact O-N 3.36Å; Y183-Q185 VanDerWaalsContact O-N 3.13Å; Y183-I186 HydrophobicContact CD1-CD1 3.92Å; Y183-I186 HydrophobicContact CG-CD1 4.27Å; Y183-I186 WeakPolarHBondContact O-CG1 3.38Å; Y183-I186 PolarHBondContact O-N 3.44Å; Y183-L191 HydrophobicContact CD1-CD1 4.24Å; Y183-L191 HydrophobicContact CD2-CD1 3.66Å; Y183-L191 HydrophobicContact CE2-CD1 4.3Å; Y183-L191 HydrophobicContact CG-CD1 3.62Å; Y183-K194 HydrophobicContact CD1-CD 4.28Å; Y183-K194 HydrophobicContact CE1-CD 4.27Å; Y183-M198 HydrophobicContact CE1-CE 4Å; Y183-M198 WeakPolarHBondContact OH-CE 3.21Å; Y183-I202 HydrophobicContact CE2-CD1 4.21Å |
| 184 | G | 79.5 | Confident | 89.3 | Confident | 46 Ų | 46 | 57.2 Ų | 57.2 | 47% | 0.474 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -9.7 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | T181 | T181-G184 PolarHBondContact O-N 3.32Å; T181-G184 VanDerWaalsContact OG1-CA 3.3Å; T181-G184 WeakPolarHBondContact OG1-CA 3.49Å; T181-G184 PolarHBondContact OG1-N 3.47Å; T181-G184 VanDerWaalsContact OG1-N 3.11Å |
| 185 | Q | 81.1 | Confident | 88.8 | Confident | 181 Ų | 181 | 56.5 Ų | 56.5 | 85% | 0.846 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.4 | 11 | -175.8 | -62.1 | -175.6 | -39.3 | 0 | 0 | 113.8 | Y183 | Y183-Q185 PolarHBondContact O-N 3.36Å; Y183-Q185 VanDerWaalsContact O-N 3.13Å |
| 186 | I | 86.3 | Confident | 88.2 | Confident | 43 Ų | 43 | 59.3 Ų | 59.3 | 22% | 0.221 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -117.5 | 158.2 | 179.2 | 66.5 | 175 | 0 | 0 | 0 | 110.9 | Y183 Q190 L191 K194 | Y183-I186 HydrophobicContact CD1-CD1 3.92Å; Y183-I186 HydrophobicContact CG-CD1 4.27Å; Y183-I186 WeakPolarHBondContact O-CG1 3.38Å; Y183-I186 PolarHBondContact O-N 3.44Å; I186-Q190 HydrophobicContact CB-CB 3.9Å; I186-Q190 VanDerWaalsContact CB-OE1 3.29Å; I186-Q190 HydrophobicContact CD1-CB 4.19Å; I186-Q190 HydrophobicContact CG1-CB 4.33Å; I186-L191 HydrophobicContact CD1-CB 3.97Å; I186-L191 HydrophobicContact CD1-CD1 4.45Å; I186-L191 HydrophobicContact CG1-CB 4.29Å; I186-K194 HydrophobicContact CD1-CD 3.75Å |
| 187 | T | 88.4 | Confident | 87.5 | Confident | 67 Ų | 67 | 63.3 Ų | 63.3 | 41% | 0.411 | 34% | 0.341 | S | S | . | . | trans | -70 | 164.2 | 175.6 | 75.2 | 0 | 0 | 0 | 0 | 111.4 | E189 Q190 L191 | T187-E189 PolarHBondContact O-N 3.5Å; T187-E189 PolarHBondContact OG1-N 3.37Å; T187-E189 PolarHBondContact OG1-OE2 3.36Å; T187-Q190 PolarHBondContact O-N 3.46Å; T187-Q190 WeakPolarHBondContact OG1-CG 3.44Å; T187-Q190 PolarHBondContact OG1-N 3.25Å; T187-L191 WeakPolarHBondContact O-CB 3.21Å; T187-L191 PolarHBondContact O-N 3.01Å | ||
| 188 | I | 85.6 | Confident | 86.6 | Confident | 94 Ų | 94 | 65.1 Ų | 65.1 | 48% | 0.482 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -59.8 | -38.7 | 176 | -71.2 | 171.2 | 0 | 0 | 0 | 110.6 | L147 L191 K192 | L147-I188 HydrophobicContact CD2-CG2 3.93Å; I188-L191 WeakPolarHBondContact O-CB 3.41Å; I188-L191 PolarHBondContact O-N 2.88Å; I188-K192 HydrophobicContact CG2-CD 4.31Å; I188-K192 VanDerWaalsContact O-CG 3.3Å; I188-K192 WeakPolarHBondContact O-CG 3.28Å; I188-K192 PolarHBondContact O-N 3.18Å |
| 189 | E | 87.5 | Confident | 85.9 | Confident | 120 Ų | 120 | 70.1 Ų | 70.1 | 56% | 0.561 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -65 | -44.9 | 178.5 | -64 | 62.7 | -131.9 | 0 | 0 | 110.5 | T187 L191 K192 E193 | T187-E189 PolarHBondContact O-N 3.5Å; T187-E189 PolarHBondContact OG1-N 3.37Å; T187-E189 PolarHBondContact OG1-OE2 3.36Å; E189-L191 VanDerWaalsContact C-N 3.3Å; E189-L191 PolarHBondContact O-N 3.06Å; E189-K192 PolarHBondContact O-N 3.46Å; E189-E193 WeakPolarHBondContact O-CB 3.2Å; E189-E193 PolarHBondContact O-N 2.74Å |
| 190 | Q | 89.7 | Confident | 85.3 | Confident | 86 Ų | 86 | 74.3 Ų | 74.3 | 40% | 0.402 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64.6 | -35.8 | 174.9 | -70.8 | 172.5 | -16.4 | 0 | 0 | 111.7 | I186 T187 K194 | I186-Q190 HydrophobicContact CB-CB 3.9Å; I186-Q190 VanDerWaalsContact CB-OE1 3.29Å; I186-Q190 HydrophobicContact CD1-CB 4.19Å; I186-Q190 HydrophobicContact CG1-CB 4.33Å; T187-Q190 PolarHBondContact O-N 3.46Å; T187-Q190 WeakPolarHBondContact OG1-CG 3.44Å; T187-Q190 PolarHBondContact OG1-N 3.25Å; Q190-K194 WeakPolarHBondContact O-CB 3.4Å; Q190-K194 WeakPolarHBondContact O-CG 3.45Å; Q190-K194 PolarHBondContact O-N 3.04Å |
| 191 | L | 88.2 | Confident | 85 | Confident | 9 Ų | 9 | 75.4 Ų | 75.4 | 5% | 0.047 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -64.5 | -47.9 | 173.8 | 174.6 | 59.6 | 0 | 0 | 0 | 110.7 | L147 L148 Y183 I186 T187 I188 E189 E193 K194 L195 | L147-L191 HydrophobicContact CD2-CD2 3.93Å; L147-L191 HydrophobicContact CD2-CG 4.28Å; L147-L191 HydrophobicContact CG-CD2 3.81Å; L147-L191 HydrophobicContact CG-CG 4.33Å; L148-L191 HydrophobicContact CD1-CD2 4.13Å; Y183-L191 HydrophobicContact CD1-CD1 4.24Å; Y183-L191 HydrophobicContact CD2-CD1 3.66Å; Y183-L191 HydrophobicContact CE2-CD1 4.3Å; Y183-L191 HydrophobicContact CG-CD1 3.62Å; I186-L191 HydrophobicContact CD1-CB 3.97Å; I186-L191 HydrophobicContact CD1-CD1 4.45Å; I186-L191 HydrophobicContact CG1-CB 4.29Å; T187-L191 WeakPolarHBondContact O-CB 3.21Å; T187-L191 PolarHBondContact O-N 3.01Å; I188-L191 WeakPolarHBondContact O-CB 3.41Å; I188-L191 PolarHBondContact O-N 2.88Å; E189-L191 VanDerWaalsContact C-N 3.3Å; E189-L191 PolarHBondContact O-N 3.06Å; L191-E193 VanDerWaalsContact C-N 3.33Å; L191-E193 PolarHBondContact O-N 3.2Å; L191-K194 PolarHBondContact O-N 3.11Å; L191-L195 HydrophobicContact CD1-CD1 4.02Å; L191-L195 HydrophobicContact CD1-CD2 4.45Å; L191-L195 HydrophobicContact CD1-CG 3.92Å; L191-L195 HydrophobicContact CG-CD1 4.03Å; L191-L195 HydrophobicContact CG-CG 4.35Å; L191-L195 WeakPolarHBondContact O-CB 3.44Å; L191-L195 VanDerWaalsContact O-CG 3.27Å; L191-L195 WeakPolarHBondContact O-CG 3.4Å; L191-L195 PolarHBondContact O-N 3.23Å |
| 192 | K | 86.8 | Confident | 84.7 | Confident | 89 Ų | 89 | 75.8 Ų | 75.8 | 39% | 0.387 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -57.4 | -47 | 175.4 | -70.1 | 174.9 | 179.8 | 170.6 | 0 | 111.1 | L147 F155 I188 E189 L195 V196 | L147-K192 HydrophobicContact CD2-CG 3.82Å; F155-K192 HydrophobicContact CE1-CB 4.08Å; F155-K192 HydrophobicContact CE1-CG 4.27Å; F155-K192 HydrophobicContact CE2-CD 4.48Å; F155-K192 HydrophobicContact CE2-CG 3.99Å; F155-K192 HydrophobicContact CZ-CB 3.71Å; F155-K192 HydrophobicContact CZ-CD 4.14Å; F155-K192 HydrophobicContact CZ-CG 3.51Å; I188-K192 HydrophobicContact CG2-CD 4.31Å; I188-K192 VanDerWaalsContact O-CG 3.3Å; I188-K192 WeakPolarHBondContact O-CG 3.28Å; I188-K192 PolarHBondContact O-N 3.18Å; E189-K192 PolarHBondContact O-N 3.46Å; K192-L195 PolarHBondContact O-N 3.08Å; K192-V196 WeakPolarHBondContact O-CG2 3.47Å; K192-V196 PolarHBondContact O-N 3.16Å; K192-V196 VanDerWaalsContact O-N 3.14Å |
| 193 | E | 87.4 | Confident | 84.5 | Confident | 124 Ų | 124 | 81.4 Ų | 81.4 | 58% | 0.579 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -59.7 | -48.6 | 177.2 | -173.6 | -175.1 | 176.2 | 0 | 0 | 111.3 | E189 L191 L195 V196 T197 | E189-E193 WeakPolarHBondContact O-CB 3.2Å; E189-E193 PolarHBondContact O-N 2.74Å; L191-E193 VanDerWaalsContact C-N 3.33Å; L191-E193 PolarHBondContact O-N 3.2Å; E193-L195 PolarHBondContact O-N 3.33Å; E193-V196 PolarHBondContact O-N 3.3Å; E193-V196 VanDerWaalsContact O-N 3.12Å; E193-T197 HydrophobicContact CG-CG2 4.14Å; E193-T197 WeakPolarHBondContact O-CB 3.43Å; E193-T197 WeakPolarHBondContact O-CG2 3.27Å; E193-T197 PolarHBondContact O-N 2.91Å; E193-T197 PolarHBondContact O-OG1 3.41Å |
| 194 | K | 85.6 | Confident | 84.5 | Confident | 80 Ų | 80 | 82.2 Ų | 82.2 | 35% | 0.348 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -64.2 | -38.6 | 177.4 | -77 | -171.1 | -175.5 | -178.8 | 0 | 112.7 | Y183 I186 Q190 L191 V196 M198 | Y183-K194 HydrophobicContact CD1-CD 4.28Å; Y183-K194 HydrophobicContact CE1-CD 4.27Å; I186-K194 HydrophobicContact CD1-CD 3.75Å; Q190-K194 WeakPolarHBondContact O-CB 3.4Å; Q190-K194 WeakPolarHBondContact O-CG 3.45Å; Q190-K194 PolarHBondContact O-N 3.04Å; L191-K194 PolarHBondContact O-N 3.11Å; K194-V196 PolarHBondContact O-N 2.85Å; K194-M198 HydrophobicContact CB-CB 4.47Å; K194-M198 HydrophobicContact CD-SD 4.47Å; K194-M198 WeakPolarHBondContact O-CB 3.22Å; K194-M198 PolarHBondContact O-N 3.08Å |
| 195 | L | 85.1 | Confident | 84.6 | Confident | 4 Ų | 4 | 82.5 Ų | 82.5 | 2% | 0.021 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -63.7 | -24.5 | 175.8 | -74 | 175.1 | 0 | 0 | 0 | 111.9 | L147 P152 F155 C156 L191 K192 E193 R224 | L147-L195 HydrophobicContact CD1-CD1 3.82Å; L147-L195 HydrophobicContact CG-CD1 4.34Å; P152-L195 HydrophobicContact CB-CD2 4.3Å; F155-L195 HydrophobicContact CB-CD1 4.48Å; F155-L195 HydrophobicContact CD1-CB 3.81Å; F155-L195 HydrophobicContact CD1-CD1 4.01Å; F155-L195 HydrophobicContact CE1-CB 4.18Å; F155-L195 HydrophobicContact CG-CD1 4.22Å; C156-L195 PolarHBondContact SG-O 3.43Å; L191-L195 HydrophobicContact CD1-CD1 4.02Å; L191-L195 HydrophobicContact CD1-CD2 4.45Å; L191-L195 HydrophobicContact CD1-CG 3.92Å; L191-L195 HydrophobicContact CG-CD1 4.03Å; L191-L195 HydrophobicContact CG-CG 4.35Å; L191-L195 WeakPolarHBondContact O-CB 3.44Å; L191-L195 VanDerWaalsContact O-CG 3.27Å; L191-L195 WeakPolarHBondContact O-CG 3.4Å; L191-L195 PolarHBondContact O-N 3.23Å; K192-L195 PolarHBondContact O-N 3.08Å; E193-L195 PolarHBondContact O-N 3.33Å; L195-R224 PolarHBondContact O-NH1 3.35Å; L195-R224 PolarHBondContact O-NH2 2.97Å |
| 196 | V | 84 | Confident | 84.1 | Confident | 88 Ų | 88 | 80 Ų | 80 | 53% | 0.533 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -90.8 | -44.2 | 175.9 | 175.9 | 0 | 0 | 0 | 0 | 111.9 | F155 K192 E193 K194 | F155-V196 HydrophobicContact CD1-CG2 4.49Å; F155-V196 HydrophobicContact CE1-CG2 3.91Å; K192-V196 WeakPolarHBondContact O-CG2 3.47Å; K192-V196 PolarHBondContact O-N 3.16Å; K192-V196 VanDerWaalsContact O-N 3.14Å; E193-V196 PolarHBondContact O-N 3.3Å; E193-V196 VanDerWaalsContact O-N 3.12Å; K194-V196 PolarHBondContact O-N 2.85Å |
| 197 | T | 81.9 | Confident | 83 | Confident | 89 Ų | 89 | 80.7 Ų | 80.7 | 55% | 0.546 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -92.5 | -26.8 | -166.7 | 58.4 | 0 | 0 | 0 | 0 | 114.1 | E193 N199 | E193-T197 HydrophobicContact CG-CG2 4.14Å; E193-T197 WeakPolarHBondContact O-CB 3.43Å; E193-T197 WeakPolarHBondContact O-CG2 3.27Å; E193-T197 PolarHBondContact O-N 2.91Å; E193-T197 PolarHBondContact O-OG1 3.41Å; T197-N199 PolarHBondContact O-N 3.17Å |
| 198 | M | 75.7 | Confident | 81.8 | Confident | 49 Ų | 49 | 85.8 Ų | 85.8 | 24% | 0.241 | 45% | 0.453 | C | S | . | . | trans | -87.1 | 112.3 | -170 | -160.8 | 179.6 | 77 | 0 | 0 | 111.2 | Y183 K194 E200 | Y183-M198 HydrophobicContact CE1-CE 4Å; Y183-M198 WeakPolarHBondContact OH-CE 3.21Å; K194-M198 HydrophobicContact CB-CB 4.47Å; K194-M198 HydrophobicContact CD-SD 4.47Å; K194-M198 WeakPolarHBondContact O-CB 3.22Å; K194-M198 PolarHBondContact O-N 3.08Å; M198-E200 HydrophobicContact CG-CB 4.3Å | ||
| 199 | N | 77.7 | Confident | 81.5 | Confident | 142 Ų | 142 | 86.2 Ų | 86.2 | 76% | 0.759 | 45% | 0.453 | S | S | * | . | trans | -95.2 | -8.1 | 170.5 | -73.2 | -23 | 0 | 0 | 0 | 113.1 | T197 | T197-N199 PolarHBondContact O-N 3.17Š| ||
| 200 | E | 80 | Confident | 81.7 | Confident | 118 Ų | 118 | 82.1 Ų | 82.1 | 55% | 0.551 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -71.9 | 143.3 | 178.2 | -71.2 | -169.2 | -170.8 | 0 | 0 | 111.9 | M198 K203 | M198-E200 HydrophobicContact CG-CB 4.3Å; E200-K203 WeakPolarHBondContact OE2-CE 3.48Å; E200-K203 IonicContact OE2-NZ 3.34Å; E200-K203 PolarHBondContact OE2-NZ 3.43Å |
| 201 | P | 84.8 | Confident | 81.9 | Confident | 93 Ų | 93 | 80 Ų | 80 | 60% | 0.604 | 43% | 0.429 | S | S | * | . | P | Polyproline II helix | trans | -65.4 | 149 | 173.6 | 28.1 | -34.1 | 0 | 0 | 0 | 111.1 | K203 | P201-K203 PolarHBondContact O-N 2.96Å; P201-K203 VanDerWaalsContact O-N 3.16Å |
| 202 | I | 87.6 | Confident | 82.1 | Confident | 17 Ų | 17 | 88.5 Ų | 88.5 | 9% | 0.087 | 47% | 0.466 | C | S | . | . | P | Polyproline II helix | trans | -59.1 | 120.2 | 174.4 | -66.8 | 172.5 | 0 | 0 | 0 | 108.9 | W167 I171 Y174 P182 Y183 L222 | W167-I202 HydrophobicContact CH2-CD1 4.06Å; W167-I202 HydrophobicContact CZ2-CD1 4.37Å; I171-I202 HydrophobicContact CD1-CD1 4.34Å; Y174-I202 HydrophobicContact CD2-CG2 4.47Å; Y174-I202 HydrophobicContact CE2-CG2 4.12Å; P182-I202 HydrophobicContact CB-CD1 4.3Å; P182-I202 HydrophobicContact CB-CG2 3.79Å; P182-I202 HydrophobicContact CG-CD1 4.18Å; P182-I202 HydrophobicContact CG-CG2 3.92Å; Y183-I202 HydrophobicContact CE2-CD1 4.21Å; I202-L222 HydrophobicContact CB-CD1 4.43Å; I202-L222 HydrophobicContact CD1-CB 4.26Å; I202-L222 HydrophobicContact CD1-CD1 4.01Å; I202-L222 HydrophobicContact CD1-CD2 4.18Å; I202-L222 HydrophobicContact CD1-CG 4.39Å; I202-L222 HydrophobicContact CG2-CD1 4.28Å |
| 203 | K | 84.9 | Confident | 82.5 | Confident | 150 Ų | 150 | 86.9 Ų | 86.9 | 65% | 0.652 | 47% | 0.465 | S | S | * | . | P | Polyproline II helix | trans | -78.9 | 124.4 | 179.3 | -67.7 | 175 | -174.6 | 159.7 | 0 | 109.3 | E200 P201 | E200-K203 WeakPolarHBondContact OE2-CE 3.48Å; E200-K203 IonicContact OE2-NZ 3.34Å; E200-K203 PolarHBondContact OE2-NZ 3.43Å; P201-K203 PolarHBondContact O-N 2.96Å; P201-K203 VanDerWaalsContact O-N 3.16Å |
| 204 | L | 85.8 | Confident | 82.9 | Confident | 37 Ų | 37 | 81 Ų | 81 | 19% | 0.194 | 44% | 0.437 | C | S | . | . | P | Polyproline II helix | trans | -76.5 | 143.2 | 171.5 | -57.5 | -174.3 | 0 | 0 | 0 | 109.3 | Y174 F178 S206 I210 L218 H219 | Y174-L204 HydrophobicContact CD2-CD2 3.99Å; Y174-L204 HydrophobicContact CE2-CD2 3.86Å; F178-L204 HydrophobicContact CE2-CD2 4.32Å; L204-S206 PolarHBondContact O-N 3.49Å; L204-I210 HydrophobicContact CD1-CD1 4.5Å; L204-L218 HydrophobicContact CD1-CD2 4.15Å; L204-L218 HydrophobicContact CD2-CD2 3.42Å; L204-L218 VanDerWaalsContact CD2-CD2 3.42Å; L204-L218 HydrophobicContact CD2-CG 4.03Å; L204-L218 HydrophobicContact CG-CD2 4.45Å; L204-H219 VanDerWaalsContact CD1-NE2 3.31Å; L204-H219 WeakPolarHBondContact CD1-NE2 3.36Å |
| 205 | P | 83.1 | Confident | 83.3 | Confident | 52 Ų | 52 | 78.2 Ų | 78.2 | 34% | 0.338 | 43% | 0.429 | S | S | . | . | P | Polyproline II helix | trans | -51.9 | 137.9 | 168.6 | -24.7 | 35.3 | 0 | 0 | 0 | 110.2 | F178 T207 | F178-P205 HydrophobicContact CD1-CB 4.38Å; F178-P205 HydrophobicContact CD1-CG 3.76Å; F178-P205 HydrophobicContact CD2-CG 4.43Å; F178-P205 HydrophobicContact CE1-CB 4.3Å; F178-P205 HydrophobicContact CE1-CG 3.92Å; F178-P205 HydrophobicContact CG-CG 4.02Å; F178-P205 HydrophobicContact CZ-CG 4.34Å; P205-T207 PolarHBondContact O-N 2.91Å |
| 206 | S | 70.7 | Confident | 83.8 | Confident | 128 Ų | 128 | 80.5 Ų | 80.5 | 90% | 0.895 | 45% | 0.448 | S | S | * | . | S | Bend | trans | -70.8 | 21.5 | -172.7 | 40.3 | 0 | 0 | 0 | 0 | 114.8 | L204 | L204-S206 PolarHBondContact O-N 3.49Š|
| 207 | T | 62.8 | Low | 84.5 | Confident | 59 Ų | 59 | 76.3 Ų | 76.3 | 36% | 0.362 | 42% | 0.423 | S | S | . | . | trans | -88 | 129.5 | -176.3 | 50.9 | 0 | 0 | 0 | 0 | 110.6 | P205 E209 | P205-T207 PolarHBondContact O-N 2.91Å; T207-E209 HydrophobicContact CG2-CG 4.49Å; T207-E209 PolarHBondContact O-N 3.48Å | ||
| 208 | N | 62.6 | Low | 85.2 | Confident | 174 Ų | 174 | 72.1 Ų | 72.1 | 93% | 0.93 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | 30.2 | 167.8 | -72.4 | -12.6 | 0 | 0 | 0 | 112.6 | ||
| 209 | E | 79.8 | Confident | 86.1 | Confident | 102 Ų | 102 | 74.2 Ų | 74.2 | 48% | 0.477 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -18.6 | -170.2 | -83.5 | -176.2 | 168.6 | 0 | 0 | 113.6 | R78 T207 | R78-E209 IonicContact CZ-OE1 3.02Å; R78-E209 IonicContact NH1-OE1 3.8Å; R78-E209 PolarHBondContact NH1-OE1 3.33Å; R78-E209 IonicContact NH1-OE2 2.69Å; R78-E209 PolarHBondContact NH1-OE2 2.96Å; T207-E209 HydrophobicContact CG2-CG 4.49Å; T207-E209 PolarHBondContact O-N 3.48Å |
| 210 | I | 91.5 | Very high | 87 | Confident | 35 Ų | 35 | 68.1 Ų | 68.1 | 18% | 0.179 | 38% | 0.377 | C | S | . | . | S | Bend | trans | -119.1 | 149.5 | -176.8 | 66.7 | 172.1 | 0 | 0 | 0 | 111.8 | E81 L177 F178 L204 C214 A215 | E81-I210 WeakPolarHBondContact OE2-CA 3.5Å; L177-I210 HydrophobicContact CB-CG2 4.48Å; L177-I210 HydrophobicContact CD1-CD1 4.45Å; L177-I210 HydrophobicContact CD1-CG2 4.28Å; L177-I210 HydrophobicContact CD2-CG2 3.95Å; L177-I210 HydrophobicContact CG-CG2 4.45Å; F178-I210 HydrophobicContact CZ-CD1 4.23Å; L204-I210 HydrophobicContact CD1-CD1 4.5Å; I210-C214 HydrophobicContact CB-CB 4.41Å; I210-A215 HydrophobicContact CD1-CB 3.79Å; I210-A215 HydrophobicContact CG1-CB 4.19Å |
| 211 | S | 93.4 | Very high | 87.8 | Confident | 41 Ų | 41 | 62.5 Ų | 62.5 | 29% | 0.287 | 35% | 0.351 | S | S | . | . | trans | -65.6 | 157.7 | 177.3 | 80.7 | 0 | 0 | 0 | 0 | 112.7 | E81 P213 C214 A215 | E81-S211 WeakPolarHBondContact OE1-CB 3.44Å; E81-S211 PolarHBondContact OE1-N 3.25Å; E81-S211 PolarHBondContact OE1-OG 3.42Å; E81-S211 PolarHBondContact OE2-N 3.19Å; S211-P213 WeakPolarHBondContact OG-CD 3.31Å; S211-C214 PolarHBondContact O-N 3.48Å; S211-C214 WeakPolarHBondContact OG-CB 3.12Å; S211-C214 PolarHBondContact OG-N 2.95Å; S211-A215 PolarHBondContact O-N 2.9Å | ||
| 212 | K | 92.8 | Very high | 88.3 | Confident | 187 Ų | 187 | 58.8 Ų | 58.8 | 81% | 0.813 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -59 | -44.6 | 176 | -63.3 | 178.1 | -179.2 | 176.8 | 0 | 112.6 | C214 A215 A216 | K212-C214 VanDerWaalsContact C-N 3.34Å; K212-C214 PolarHBondContact O-N 2.98Å; K212-A215 PolarHBondContact O-N 3.38Å; K212-A216 WeakPolarHBondContact O-CB 3.44Å; K212-A216 PolarHBondContact O-N 3.3Å |
| 213 | P | 95 | Very high | 88.6 | Confident | 55 Ų | 55 | 62 Ų | 62 | 36% | 0.357 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -58 | -42.8 | 172.9 | -26.3 | 35.3 | 0 | 0 | 0 | 113 | S211 A216 L217 H238 F240 | S211-P213 WeakPolarHBondContact OG-CD 3.31Å; P213-A216 PolarHBondContact O-N 2.98Å; P213-L217 PolarHBondContact O-N 3.39Å; P213-H238 PolarHBondContact O-CE1 3.08Å; P213-H238 VanDerWaalsContact O-CE1 3.25Å; P213-F240 HydrophobicContact CB-CB 3.96Å; P213-F240 HydrophobicContact CB-CD2 4.19Å |
| 214 | C | 96 | Very high | 89 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63 | -45.4 | 178.1 | -173 | 0 | 0 | 0 | 0 | 112 | E81 I210 S211 K212 A216 L217 L218 F240 | E81-C214 HydrophobicContact CG-CB 4.41Å; E81-C214 VanDerWaalsContact OE1-CB 3.31Å; E81-C214 WeakPolarHBondContact OE1-CB 3.31Å; I210-C214 HydrophobicContact CB-CB 4.41Å; S211-C214 PolarHBondContact O-N 3.48Å; S211-C214 WeakPolarHBondContact OG-CB 3.12Å; S211-C214 PolarHBondContact OG-N 2.95Å; K212-C214 VanDerWaalsContact C-N 3.34Å; K212-C214 PolarHBondContact O-N 2.98Å; C214-A216 PolarHBondContact O-N 3.37Å; C214-L217 PolarHBondContact O-N 3.29Å; C214-L218 WeakPolarHBondContact O-CB 3.25Å; C214-L218 PolarHBondContact O-N 2.89Å; C214-F240 HydrophobicContact CB-CD1 4.5Å; C214-F240 HydrophobicContact CB-CD2 3.68Å; C214-F240 HydrophobicContact CB-CE1 4.31Å; C214-F240 HydrophobicContact CB-CE2 3.53Å; C214-F240 HydrophobicContact CB-CG 4.19Å; C214-F240 HydrophobicContact CB-CZ 3.83Å |
| 215 | A | 94.8 | Very high | 89.2 | Confident | 23 Ų | 23 | 59.8 Ų | 59.8 | 19% | 0.19 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.2 | -41.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | I210 S211 K212 L218 H219 | I210-A215 HydrophobicContact CD1-CB 3.79Å; I210-A215 HydrophobicContact CG1-CB 4.19Å; S211-A215 PolarHBondContact O-N 2.9Å; K212-A215 PolarHBondContact O-N 3.38Å; A215-L218 PolarHBondContact O-N 3.24Å; A215-H219 WeakPolarHBondContact O-CB 3.41Å; A215-H219 PolarHBondContact O-CD2 3.07Å; A215-H219 PolarHBondContact O-N 3.4Å |
| 216 | A | 95.3 | Very high | 89.7 | Confident | 51 Ų | 51 | 58.5 Ų | 58.5 | 42% | 0.421 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.2 | -43.9 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | K212 P213 C214 H219 G220 | K212-A216 WeakPolarHBondContact O-CB 3.44Å; K212-A216 PolarHBondContact O-N 3.3Å; P213-A216 PolarHBondContact O-N 2.98Å; C214-A216 PolarHBondContact O-N 3.37Å; A216-H219 PolarHBondContact O-N 2.98Å; A216-G220 PolarHBondContact O-N 3.45Å |
| 217 | L | 97.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -58.1 | -51.7 | 174.8 | 178.2 | 61.9 | 0 | 0 | 0 | 110.8 | L88 L173 P213 C214 H219 G220 L221 L230 F235 H238 F240 I241 | L88-L217 HydrophobicContact CD1-CD2 3.8Å; L173-L217 HydrophobicContact CD2-CD2 3.92Å; L173-L217 HydrophobicContact CD2-CG 4.13Å; P213-L217 PolarHBondContact O-N 3.39Å; C214-L217 PolarHBondContact O-N 3.29Å; L217-H219 VanDerWaalsContact C-N 3.33Å; L217-H219 PolarHBondContact O-N 3.01Å; L217-G220 PolarHBondContact O-N 3.28Å; L217-G220 VanDerWaalsContact O-N 3.09Å; L217-L221 HydrophobicContact CD1-CD1 3.89Å; L217-L221 HydrophobicContact CD1-CG 4.01Å; L217-L221 HydrophobicContact CD2-CD1 4.42Å; L217-L221 HydrophobicContact CG-CD1 3.84Å; L217-L221 HydrophobicContact CG-CG 4.33Å; L217-L221 WeakPolarHBondContact O-CG 3.15Å; L217-L221 PolarHBondContact O-N 2.69Å; L217-L230 HydrophobicContact CD1-CD1 3.85Å; L217-F235 HydrophobicContact CD1-CD2 3.86Å; L217-F235 HydrophobicContact CD1-CE2 4.15Å; L217-H238 VanDerWaalsContact CB-CE1 3.48Å; L217-H238 WeakPolarHBondContact CB-CE1 3.26Å; L217-H238 HydrophobicContact CD1-CB 4.15Å; L217-H238 PolarHBondContact N-NE2 3.25Å; L217-F240 HydrophobicContact CB-CB 4.3Å; L217-F240 HydrophobicContact CD2-CB 4.23Å; L217-F240 HydrophobicContact CD2-CD1 3.54Å; L217-F240 HydrophobicContact CD2-CE1 4.4Å; L217-F240 HydrophobicContact CD2-CG 4.29Å; L217-I241 HydrophobicContact CD2-CD1 3.69Å; L217-I241 HydrophobicContact CD2-CG1 4.17Å |
| 218 | L | 96.2 | Very high | 92.2 | Very high | 1 Ų | 1 | 59.9 Ų | 59.9 | 1% | 0.005 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.3 | -43.2 | -176.9 | -176 | 57.6 | 0 | 0 | 0 | 111.7 | G170 L173 Y174 L177 F178 L204 C214 A215 G220 L221 L222 | G170-L218 VanDerWaalsContact O-CD1 3.29Å; G170-L218 WeakPolarHBondContact O-CD1 3.36Å; L173-L218 HydrophobicContact CB-CD1 4.23Å; L173-L218 HydrophobicContact CD2-CB 4.04Å; L173-L218 HydrophobicContact CD2-CD1 3.97Å; L173-L218 HydrophobicContact CG-CD1 3.99Å; Y174-L218 HydrophobicContact CD2-CD2 4.17Å; L177-L218 HydrophobicContact CD1-CD2 4.16Å; F178-L218 HydrophobicContact CE2-CD2 3.96Å; L204-L218 HydrophobicContact CD1-CD2 4.15Å; L204-L218 HydrophobicContact CD2-CD2 3.42Å; L204-L218 VanDerWaalsContact CD2-CD2 3.42Å; L204-L218 HydrophobicContact CD2-CG 4.03Å; L204-L218 HydrophobicContact CG-CD2 4.45Å; C214-L218 WeakPolarHBondContact O-CB 3.25Å; C214-L218 PolarHBondContact O-N 2.89Å; A215-L218 PolarHBondContact O-N 3.24Å; L218-G220 VanDerWaalsContact C-N 3.33Å; L218-G220 PolarHBondContact O-N 3.27Å; L218-L221 PolarHBondContact O-N 3.39Å; L218-L222 HydrophobicContact CD1-CD1 3.51Å; L218-L222 HydrophobicContact CD1-CG 4Å; L218-L222 HydrophobicContact CG-CD1 4.06Å; L218-L222 WeakPolarHBondContact O-CB 2.94Å; L218-L222 WeakPolarHBondContact O-CG 3.47Å; L218-L222 PolarHBondContact O-N 3.48Å |
| 219 | H | 95 | Very high | 93.8 | Very high | 94 Ų | 94 | 51.9 Ų | 51.9 | 44% | 0.435 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64.1 | -35.4 | 174.7 | -81 | -55.3 | 0 | 0 | 0 | 113.5 | L204 A215 A216 L217 | L204-H219 VanDerWaalsContact CD1-NE2 3.31Å; L204-H219 WeakPolarHBondContact CD1-NE2 3.36Å; A215-H219 WeakPolarHBondContact O-CB 3.41Å; A215-H219 PolarHBondContact O-CD2 3.07Å; A215-H219 PolarHBondContact O-N 3.4Å; A216-H219 PolarHBondContact O-N 2.98Å; L217-H219 VanDerWaalsContact C-N 3.33Å; L217-H219 PolarHBondContact O-N 3.01Å |
| 220 | G | 96.5 | Very high | 94.7 | Very high | 14 Ų | 14 | 48.1 Ų | 48.1 | 14% | 0.144 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -72.6 | -34.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | A216 L217 L218 L230 | A216-G220 PolarHBondContact O-N 3.45Å; L217-G220 PolarHBondContact O-N 3.28Å; L217-G220 VanDerWaalsContact O-N 3.09Å; L218-G220 VanDerWaalsContact C-N 3.33Å; L218-G220 PolarHBondContact O-N 3.27Å; G220-L230 PolarHBondContact O-N 3.39Å |
| 221 | L | 97.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -75.4 | -37.7 | 177 | -67.2 | 173.9 | 0 | 0 | 0 | 112.4 | L166 I169 L173 L217 L218 K223 R229 L230 F235 | L166-L221 HydrophobicContact CB-CD2 3.88Å; I169-L221 HydrophobicContact CG2-CD1 4.01Å; L173-L221 HydrophobicContact CD2-CD1 4.3Å; L217-L221 HydrophobicContact CD1-CD1 3.89Å; L217-L221 HydrophobicContact CD1-CG 4.01Å; L217-L221 HydrophobicContact CD2-CD1 4.42Å; L217-L221 HydrophobicContact CG-CD1 3.84Å; L217-L221 HydrophobicContact CG-CG 4.33Å; L217-L221 WeakPolarHBondContact O-CG 3.15Å; L217-L221 PolarHBondContact O-N 2.69Å; L218-L221 PolarHBondContact O-N 3.39Å; L221-K223 PolarHBondContact O-N 3.16Å; L221-R229 WeakPolarHBondContact O-CD 3.12Å; L221-R229 WeakPolarHBondContact O-CG 3.36Å; L221-L230 HydrophobicContact CD2-CB 4.42Å; L221-L230 HydrophobicContact CD2-CD1 4.27Å; L221-L230 HydrophobicContact CG-CD1 4.24Å; L221-F235 HydrophobicContact CD1-CE2 4.33Å; L221-F235 HydrophobicContact CD2-CD2 3.88Å; L221-F235 HydrophobicContact CD2-CE2 4.31Å |
| 222 | L | 95.7 | Very high | 95 | Very high | 14 Ų | 14 | 48.9 Ų | 48.9 | 7% | 0.073 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | 35.9 | -176.4 | -64.8 | -177.4 | 0 | 0 | 0 | 113.6 | W167 I171 Y174 I202 L218 | W167-L222 HydrophobicContact CD2-CD2 4.44Å; W167-L222 HydrophobicContact CE3-CD2 4.39Å; I171-L222 HydrophobicContact CD1-CD2 3.69Å; I171-L222 HydrophobicContact CG1-CD2 4.14Å; Y174-L222 HydrophobicContact CD2-CD1 4.36Å; I202-L222 HydrophobicContact CB-CD1 4.43Å; I202-L222 HydrophobicContact CD1-CB 4.26Å; I202-L222 HydrophobicContact CD1-CD1 4.01Å; I202-L222 HydrophobicContact CD1-CD2 4.18Å; I202-L222 HydrophobicContact CD1-CG 4.39Å; I202-L222 HydrophobicContact CG2-CD1 4.28Å; L218-L222 HydrophobicContact CD1-CD1 3.51Å; L218-L222 HydrophobicContact CD1-CG 4Å; L218-L222 HydrophobicContact CG-CD1 4.06Å; L218-L222 WeakPolarHBondContact O-CB 2.94Å; L218-L222 WeakPolarHBondContact O-CG 3.47Å; L218-L222 PolarHBondContact O-N 3.48Å |
| 223 | K | 94.2 | Very high | 95.1 | Very high | 84 Ų | 84 | 45.3 Ų | 45.3 | 37% | 0.365 | 25% | 0.247 | S | C | . | . | trans | -85.7 | 125.7 | 167.7 | -68.1 | -70.9 | -172.6 | 166.6 | 0 | 109.8 | L221 E228 R229 | L221-K223 PolarHBondContact O-N 3.16Å; K223-E228 HydrophobicContact CB-CB 4.3Å; K223-E228 HydrophobicContact CD-CB 4.48Å; K223-E228 HydrophobicContact CG-CB 4.44Å; K223-R229 HydrophobicContact CB-CB 3.96Å; K223-R229 HydrophobicContact CB-CG 4.38Å; K223-R229 PolarHBondContact O-NE 2.92Å; K223-R229 PolarHBondContact O-NH2 3.21Å | ||
| 224 | R | 91.8 | Very high | 95.3 | Very high | 76 Ų | 76 | 47.2 Ų | 47.2 | 29% | 0.287 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -63.1 | -52.1 | -178.9 | -173.7 | -174.1 | 168.1 | 76.4 | 8 | 111.1 | P152 C156 L195 P226 R229 | P152-R224 HydrophobicContact CB-CG 4.07Å; P152-R224 VanDerWaalsContact CB-NH1 3.29Å; P152-R224 HydrophobicContact CG-CB 4.4Å; P152-R224 HydrophobicContact CG-CG 3.65Å; C156-R224 PolarHBondContact SG-NH2 2.92Å; C156-R224 VanDerWaalsContact SG-NH2 3.4Å; L195-R224 PolarHBondContact O-NH1 3.35Å; L195-R224 PolarHBondContact O-NH2 2.97Å; R224-P226 WeakPolarHBondContact O-CD 3.31Å; R224-R229 PolarHBondContact O-NH2 3.43Å; R224-R229 VanDerWaalsContact O-NH2 3.15Å |
| 225 | N | 91 | Very high | 95.4 | Very high | 65 Ų | 65 | 47.2 Ų | 47.2 | 35% | 0.348 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -67.8 | 118.1 | 175.9 | -179.7 | -3.4 | 0 | 0 | 0 | 110.1 | S227 E228 R229 | N225-S227 PolarHBondContact ND2-OG 3.43Å; N225-S227 PolarHBondContact O-N 2.97Å; N225-S227 VanDerWaalsContact O-N 3.14Å; N225-S227 PolarHBondContact OD1-N 3.46Å; N225-S227 VanDerWaalsContact OD1-N 3.09Å; N225-S227 PolarHBondContact OD1-OG 3.21Å; N225-E228 HydrophobicContact CB-CB 4.28Å; N225-E228 HydrophobicContact CB-CG 4.21Å; N225-E228 PolarHBondContact ND2-OE1 3.21Å; N225-E228 PolarHBondContact O-N 3.45Å; N225-R229 PolarHBondContact O-N 2.9Å; N225-R229 VanDerWaalsContact O-N 3.15Å |
| 226 | P | 93 | Very high | 95.5 | Very high | 26 Ų | 26 | 46.8 Ų | 46.8 | 17% | 0.169 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -26.7 | -178.2 | -25.3 | 35.6 | 0 | 0 | 0 | 114.1 | E153 H161 R224 R229 | E153-P226 HydrophobicContact CB-CG 3.92Å; E153-P226 VanDerWaalsContact CD-CG 3.46Å; E153-P226 HydrophobicContact CG-CG 3.66Å; H161-P226 HydrophobicContact CB-CB 4.14Å; R224-P226 WeakPolarHBondContact O-CD 3.31Å; P226-R229 PolarHBondContact O-N 3.16Å |
| 227 | S | 92.3 | Very high | 95.6 | Very high | 98 Ų | 98 | 48.7 Ų | 48.7 | 69% | 0.685 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -20.5 | 177.8 | 61.7 | 0 | 0 | 0 | 0 | 114 | N225 | N225-S227 PolarHBondContact ND2-OG 3.43Å; N225-S227 PolarHBondContact O-N 2.97Å; N225-S227 VanDerWaalsContact O-N 3.14Å; N225-S227 PolarHBondContact OD1-N 3.46Å; N225-S227 VanDerWaalsContact OD1-N 3.09Å; N225-S227 PolarHBondContact OD1-OG 3.21Å |
| 228 | E | 94.4 | Very high | 95.7 | Very high | 117 Ų | 117 | 49.9 Ų | 49.9 | 55% | 0.547 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95 | -15.8 | 173.3 | -68.5 | 170.9 | -142.1 | 0 | 0 | 112.6 | K223 N225 | K223-E228 HydrophobicContact CB-CB 4.3Å; K223-E228 HydrophobicContact CD-CB 4.48Å; K223-E228 HydrophobicContact CG-CB 4.44Å; N225-E228 HydrophobicContact CB-CB 4.28Å; N225-E228 HydrophobicContact CB-CG 4.21Å; N225-E228 PolarHBondContact ND2-OE1 3.21Å; N225-E228 PolarHBondContact O-N 3.45Å |
| 229 | R | 96.5 | Very high | 95.7 | Very high | 6 Ų | 6 | 54.5 Ų | 54.5 | 2% | 0.023 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -69.7 | 146.1 | 177.5 | -165 | -178.8 | -58 | 147.8 | 3.6 | 110.1 | E153 S163 L221 K223 R224 N225 P226 N231 | E153-R229 IonicContact OE1-CZ 3.52Å; E153-R229 IonicContact OE1-NH1 3.62Å; E153-R229 PolarHBondContact OE1-NH1 3.24Å; E153-R229 IonicContact OE1-NH2 2.75Å; E153-R229 PolarHBondContact OE1-NH2 3.33Å; E153-R229 IonicContact OE2-CZ 2.79Å; E153-R229 IonicContact OE2-NH1 2.78Å; E153-R229 IonicContact OE2-NH2 3.08Å; E153-R229 PolarHBondContact OE2-NH2 2.97Å; S163-R229 PolarHBondContact O-NH1 2.98Å; L221-R229 WeakPolarHBondContact O-CD 3.12Å; L221-R229 WeakPolarHBondContact O-CG 3.36Å; K223-R229 HydrophobicContact CB-CB 3.96Å; K223-R229 HydrophobicContact CB-CG 4.38Å; K223-R229 PolarHBondContact O-NE 2.92Å; K223-R229 PolarHBondContact O-NH2 3.21Å; R224-R229 PolarHBondContact O-NH2 3.43Å; R224-R229 VanDerWaalsContact O-NH2 3.15Å; N225-R229 PolarHBondContact O-N 2.9Å; N225-R229 VanDerWaalsContact O-N 3.15Å; P226-R229 PolarHBondContact O-N 3.16Å; R229-N231 PolarHBondContact O-N 3.3Å; R229-N231 VanDerWaalsContact O-N 3.15Å |
| 230 | L | 96.8 | Very high | 95.8 | Very high | 24 Ų | 24 | 50.4 Ų | 50.4 | 13% | 0.126 | 27% | 0.271 | C | S | . | . | P | Polyproline II helix | trans | -48.8 | 126.2 | 169.5 | -74.6 | 170.4 | 0 | 0 | 0 | 109.4 | L166 L217 G220 L221 Q234 | L166-L230 WeakPolarHBondContact CD1-O 3.47Å; L217-L230 HydrophobicContact CD1-CD1 3.85Å; G220-L230 PolarHBondContact O-N 3.39Å; L221-L230 HydrophobicContact CD2-CB 4.42Å; L221-L230 HydrophobicContact CD2-CD1 4.27Å; L221-L230 HydrophobicContact CG-CD1 4.24Å; L230-Q234 HydrophobicContact CD2-CB 3.59Å; L230-Q234 HydrophobicContact CD2-CG 4.49Å |
| 231 | N | 95.8 | Very high | 95.9 | Very high | 72 Ų | 72 | 49.7 Ų | 49.7 | 39% | 0.385 | 26% | 0.264 | S | S | . | . | P | Polyproline II helix | trans | -79.2 | 169.2 | 167.6 | 71.2 | 50 | 0 | 0 | 0 | 109.7 | R229 E233 Q234 F235 | R229-N231 PolarHBondContact O-N 3.3Å; R229-N231 VanDerWaalsContact O-N 3.15Å; N231-E233 VanDerWaalsContact C-N 3.32Å; N231-E233 PolarHBondContact O-N 3.37Å; N231-E233 WeakPolarHBondContact OD1-CB 3.39Å; N231-E233 PolarHBondContact OD1-N 2.89Å; N231-Q234 PolarHBondContact ND2-OE1 2.94Å; N231-Q234 PolarHBondContact O-N 3.06Å; N231-Q234 PolarHBondContact OD1-N 3.02Å; N231-F235 WeakPolarHBondContact O-CB 3Å; N231-F235 PolarHBondContact O-N 2.8Å |
| 232 | H | 95.9 | Very high | 95.8 | Very high | 19 Ų | 19 | 52 Ų | 52 | 9% | 0.088 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -57.9 | -39.5 | -178 | -68.7 | 98.4 | 0 | 0 | 0 | 114 | K99 P162 F235 F236 | K99-H232 HydrophobicContact CD-CB 3.56Å; K99-H232 VanDerWaalsContact NZ-CB 3.34Å; P162-H232 PolarHBondContact O-CE1 3.38Å; H232-F235 PolarHBondContact O-N 2.99Å; H232-F236 HydrophobicContact CB-CD2 4.39Å; H232-F236 HydrophobicContact CB-CE2 3.76Å; H232-F236 HydrophobicContact CB-CZ 3.98Å; H232-F236 AromaticContact CD2-CZ 4Å; H232-F236 WeakPolarHBondContact O-CD2 3.41Å; H232-F236 WeakPolarHBondContact O-CG 3.21Å; H232-F236 PolarHBondContact O-N 2.63Å |
| 233 | E | 96.3 | Very high | 95.9 | Very high | 113 Ų | 113 | 53 Ų | 53 | 53% | 0.528 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -65.4 | -43 | 179.3 | -60.8 | -53.7 | 141.6 | 0 | 0 | 110.9 | K99 N231 F235 F236 S237 | K99-E233 IonicContact NZ-OE1 2.81Å; K99-E233 PolarHBondContact NZ-OE1 3Å; N231-E233 VanDerWaalsContact C-N 3.32Å; N231-E233 PolarHBondContact O-N 3.37Å; N231-E233 WeakPolarHBondContact OD1-CB 3.39Å; N231-E233 PolarHBondContact OD1-N 2.89Å; E233-F235 VanDerWaalsContact C-N 3.32Å; E233-F235 PolarHBondContact O-N 2.82Å; E233-F236 PolarHBondContact O-N 3.24Å; E233-S237 WeakPolarHBondContact O-CB 3.47Å; E233-S237 PolarHBondContact O-N 3.22Å; E233-S237 PolarHBondContact O-OG 2.98Å |
| 234 | Q | 97.8 | Very high | 95.9 | Very high | 94 Ų | 94 | 54.5 Ų | 54.5 | 44% | 0.439 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -66.6 | -34.6 | 175.6 | -63.7 | 172.3 | -46.4 | 0 | 0 | 112.1 | L230 N231 H238 | L230-Q234 HydrophobicContact CD2-CB 3.59Å; L230-Q234 HydrophobicContact CD2-CG 4.49Å; N231-Q234 PolarHBondContact ND2-OE1 2.94Å; N231-Q234 PolarHBondContact O-N 3.06Å; N231-Q234 PolarHBondContact OD1-N 3.02Å; Q234-H238 WeakPolarHBondContact O-CB 3.45Å; Q234-H238 PolarHBondContact O-N 3.09Å; Q234-H238 VanDerWaalsContact O-N 3.14Å |
| 235 | F | 98.3 | Very high | 96 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -65.9 | -49.4 | 174.3 | 173.8 | -114.1 | 0 | 0 | 0 | 111.5 | A92 L95 L166 I169 L217 L221 N231 H232 E233 S237 H238 I241 | A92-F235 HydrophobicContact CB-CE1 3.69Å; A92-F235 HydrophobicContact CB-CZ 4.09Å; L95-F235 HydrophobicContact CD1-CE1 4.18Å; L166-F235 HydrophobicContact CD1-CB 4.3Å; L166-F235 HydrophobicContact CD2-CB 4.21Å; L166-F235 HydrophobicContact CD2-CD1 3.61Å; L166-F235 HydrophobicContact CD2-CD2 4.39Å; L166-F235 HydrophobicContact CD2-CE1 4.05Å; L166-F235 HydrophobicContact CD2-CG 3.81Å; I169-F235 HydrophobicContact CD1-CE1 4.42Å; I169-F235 HydrophobicContact CD1-CZ 4.21Å; I169-F235 HydrophobicContact CG2-CE2 4.33Å; I169-F235 HydrophobicContact CG2-CZ 4.27Å; L217-F235 HydrophobicContact CD1-CD2 3.86Å; L217-F235 HydrophobicContact CD1-CE2 4.15Å; L221-F235 HydrophobicContact CD1-CE2 4.33Å; L221-F235 HydrophobicContact CD2-CD2 3.88Å; L221-F235 HydrophobicContact CD2-CE2 4.31Å; N231-F235 WeakPolarHBondContact O-CB 3Å; N231-F235 PolarHBondContact O-N 2.8Å; H232-F235 PolarHBondContact O-N 2.99Å; E233-F235 VanDerWaalsContact C-N 3.32Å; E233-F235 PolarHBondContact O-N 2.82Å; F235-S237 VanDerWaalsContact C-N 3.3Å; F235-S237 PolarHBondContact O-N 3.43Å; F235-H238 VanDerWaalsContact O-CB 3.28Å; F235-H238 WeakPolarHBondContact O-CB 3.38Å; F235-H238 PolarHBondContact O-N 2.86Å; F235-I241 HydrophobicContact CD2-CD1 4.41Å; F235-I241 HydrophobicContact CD2-CG1 4.29Å; F235-I241 HydrophobicContact CE2-CD1 3.64Å; F235-I241 HydrophobicContact CE2-CG1 3.99Å; F235-I241 HydrophobicContact CZ-CD1 3.95Å; F235-I241 HydrophobicContact CZ-CG1 4.44Å; F235-I241 WeakPolarHBondContact O-CG1 3.43Å |
| 236 | F | 97.9 | Very high | 96.2 | Very high | 14 Ų | 14 | 49.4 Ų | 49.4 | 6% | 0.061 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.1 | -32 | -178.9 | -57 | -34.2 | 0 | 0 | 0 | 113 | A92 L95 Q96 K99 H232 E233 L243 | A92-F236 HydrophobicContact CB-CD1 4.2Å; A92-F236 WeakPolarHBondContact O-CE1 3.45Å; L95-F236 HydrophobicContact CB-CE1 3.97Å; L95-F236 HydrophobicContact CB-CZ 4.2Å; Q96-F236 HydrophobicContact CB-CD2 4.47Å; Q96-F236 HydrophobicContact CB-CE1 4.17Å; Q96-F236 HydrophobicContact CB-CE2 4.04Å; Q96-F236 HydrophobicContact CB-CZ 3.89Å; Q96-F236 HydrophobicContact CG-CD2 4.31Å; Q96-F236 HydrophobicContact CG-CE2 4.09Å; Q96-F236 HydrophobicContact CG-CZ 4.45Å; K99-F236 HydrophobicContact CD-CE2 3.9Å; K99-F236 HydrophobicContact CD-CZ 4.38Å; H232-F236 HydrophobicContact CB-CD2 4.39Å; H232-F236 HydrophobicContact CB-CE2 3.76Å; H232-F236 HydrophobicContact CB-CZ 3.98Å; H232-F236 AromaticContact CD2-CZ 4Å; H232-F236 WeakPolarHBondContact O-CD2 3.41Å; H232-F236 WeakPolarHBondContact O-CG 3.21Å; H232-F236 PolarHBondContact O-N 2.63Å; E233-F236 PolarHBondContact O-N 3.24Å; F236-L243 HydrophobicContact CB-CD1 4.06Å |
| 237 | S | 97.5 | Very high | 96.2 | Very high | 92 Ų | 92 | 50 Ų | 50 | 64% | 0.643 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | 5.6 | 176.6 | 58.9 | 0 | 0 | 0 | 0 | 114 | E233 F235 | E233-S237 WeakPolarHBondContact O-CB 3.47Å; E233-S237 PolarHBondContact O-N 3.22Å; E233-S237 PolarHBondContact O-OG 2.98Å; F235-S237 VanDerWaalsContact C-N 3.3Å; F235-S237 PolarHBondContact O-N 3.43Å |
| 238 | H | 98.3 | Very high | 96.3 | Very high | 24 Ų | 24 | 47 Ų | 47 | 11% | 0.111 | 26% | 0.256 | C | S | . | . | trans | -68.6 | 134.5 | -175.4 | -167.9 | -84.6 | 0 | 0 | 0 | 111.1 | P213 L217 Q234 F235 F240 I241 D242 | P213-H238 PolarHBondContact O-CE1 3.08Å; P213-H238 VanDerWaalsContact O-CE1 3.25Å; L217-H238 VanDerWaalsContact CB-CE1 3.48Å; L217-H238 WeakPolarHBondContact CB-CE1 3.26Å; L217-H238 HydrophobicContact CD1-CB 4.15Å; L217-H238 PolarHBondContact N-NE2 3.25Å; Q234-H238 WeakPolarHBondContact O-CB 3.45Å; Q234-H238 PolarHBondContact O-N 3.09Å; Q234-H238 VanDerWaalsContact O-N 3.14Å; F235-H238 VanDerWaalsContact O-CB 3.28Å; F235-H238 WeakPolarHBondContact O-CB 3.38Å; F235-H238 PolarHBondContact O-N 2.86Å; H238-F240 WeakPolarHBondContact ND1-CB 3.38Å; H238-F240 PolarHBondContact ND1-N 3.42Å; H238-F240 VanDerWaalsContact ND1-N 3.13Å; H238-F240 PolarHBondContact O-N 3.21Å; H238-I241 HydrophobicContact CB-CG1 4.08Å; H238-I241 PolarHBondContact O-N 3.49Å; H238-D242 PolarHBondContact O-N 2.89Å; H238-D242 VanDerWaalsContact O-N 3.16Å | ||
| 239 | P | 96.9 | Very high | 96.1 | Very high | 99 Ų | 99 | 43.2 Ų | 43.2 | 64% | 0.643 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -28.5 | -176.9 | -28.6 | 35 | 0 | 0 | 0 | 115.4 | ||
| 240 | F | 97.6 | Very high | 95.9 | Very high | 7 Ų | 7 | 48.7 Ų | 48.7 | 3% | 0.031 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -33.8 | 174.4 | -171.6 | -106.2 | 0 | 0 | 0 | 113.2 | E81 V84 Q85 L88 P213 C214 L217 H238 | E81-F240 HydrophobicContact CG-CE2 3.64Å; E81-F240 HydrophobicContact CG-CZ 3.59Å; E81-F240 WeakPolarHBondContact OE1-CE2 3.49Å; V84-F240 HydrophobicContact CG1-CE1 4.42Å; Q85-F240 HydrophobicContact CB-CE1 4.24Å; Q85-F240 HydrophobicContact CB-CE2 4.38Å; Q85-F240 HydrophobicContact CB-CZ 3.92Å; Q85-F240 WeakPolarHBondContact CG-O 3.32Å; Q85-F240 PolarHBondContact NE2-O 2.79Å; L88-F240 HydrophobicContact CD1-CD1 4.21Å; L88-F240 HydrophobicContact CD1-CE1 3.95Å; P213-F240 HydrophobicContact CB-CB 3.96Å; P213-F240 HydrophobicContact CB-CD2 4.19Å; C214-F240 HydrophobicContact CB-CD1 4.5Å; C214-F240 HydrophobicContact CB-CD2 3.68Å; C214-F240 HydrophobicContact CB-CE1 4.31Å; C214-F240 HydrophobicContact CB-CE2 3.53Å; C214-F240 HydrophobicContact CB-CG 4.19Å; C214-F240 HydrophobicContact CB-CZ 3.83Å; L217-F240 HydrophobicContact CB-CB 4.3Å; L217-F240 HydrophobicContact CD2-CB 4.23Å; L217-F240 HydrophobicContact CD2-CD1 3.54Å; L217-F240 HydrophobicContact CD2-CE1 4.4Å; L217-F240 HydrophobicContact CD2-CG 4.29Å; H238-F240 WeakPolarHBondContact ND1-CB 3.38Å; H238-F240 PolarHBondContact ND1-N 3.42Å; H238-F240 VanDerWaalsContact ND1-N 3.13Å; H238-F240 PolarHBondContact O-N 3.21Å |
| 241 | I | 97.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -45.6 | 179.7 | -59.3 | -62.8 | 0 | 0 | 0 | 109.6 | L88 Q89 A92 L217 F235 H238 L243 | L88-I241 HydrophobicContact CB-CD1 3.66Å; L88-I241 HydrophobicContact CD1-CD1 3.96Å; L88-I241 HydrophobicContact CG-CD1 4.42Å; Q89-I241 HydrophobicContact CG-CG2 4.46Å; Q89-I241 WeakPolarHBondContact CG-O 3.03Å; Q89-I241 PolarHBondContact NE2-O 3.09Å; A92-I241 HydrophobicContact CB-CG2 3.8Å; L217-I241 HydrophobicContact CD2-CD1 3.69Å; L217-I241 HydrophobicContact CD2-CG1 4.17Å; F235-I241 HydrophobicContact CD2-CD1 4.41Å; F235-I241 HydrophobicContact CD2-CG1 4.29Å; F235-I241 HydrophobicContact CE2-CD1 3.64Å; F235-I241 HydrophobicContact CE2-CG1 3.99Å; F235-I241 HydrophobicContact CZ-CD1 3.95Å; F235-I241 HydrophobicContact CZ-CG1 4.44Å; F235-I241 WeakPolarHBondContact O-CG1 3.43Å; H238-I241 HydrophobicContact CB-CG1 4.08Å; H238-I241 PolarHBondContact O-N 3.49Å; I241-L243 HydrophobicContact CG2-CD2 3.7Å; I241-L243 HydrophobicContact CG2-CG 3.79Å; I241-L243 PolarHBondContact O-N 2.95Å |
| 242 | D | 96.1 | Very high | 95.8 | Very high | 49 Ų | 49 | 44.2 Ų | 44.2 | 26% | 0.262 | 25% | 0.246 | S | C | . | . | trans | 48.2 | 64.4 | 174.1 | -172.3 | 12.3 | 0 | 0 | 0 | 112.9 | Q89 H238 D244 H245 A246 | Q89-D242 PolarHBondContact NE2-O 3.29Å; H238-D242 PolarHBondContact O-N 2.89Å; H238-D242 VanDerWaalsContact O-N 3.16Å; D242-D244 PolarHBondContact O-N 3.27Å; D242-H245 VanDerWaalsContact CG-ND1 3.27Å; D242-H245 PolarHBondContact O-N 2.84Å; D242-H245 IonicContact OD1-CE1 3.24Å; D242-H245 IonicContact OD1-CG 3.57Å; D242-H245 PolarHBondContact OD1-N 3.19Å; D242-H245 IonicContact OD1-ND1 2.98Å; D242-H245 PolarHBondContact OD1-ND1 3.44Å; D242-H245 WeakPolarHBondContact OD2-CB 3.31Å; D242-H245 IonicContact OD2-CG 3.21Å; D242-H245 IonicContact OD2-ND1 2.77Å; D242-H245 PolarHBondContact OD2-ND1 3.18Å; D242-A246 PolarHBondContact O-N 2.79Å | ||
| 243 | L | 96.6 | Very high | 95.8 | Very high | 35 Ų | 35 | 46.8 Ų | 46.8 | 18% | 0.183 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -65.7 | -23.6 | -179.3 | -70.4 | -176.2 | 0 | 0 | 0 | 113 | Q89 A92 L93 F236 I241 H245 A246 | Q89-L243 HydrophobicContact CB-CD2 4.45Å; Q89-L243 HydrophobicContact CG-CD2 4.46Å; A92-L243 HydrophobicContact CB-CD2 4.04Å; L93-L243 HydrophobicContact CD2-CD2 4.18Å; L93-L243 HydrophobicContact CG-CD2 4.11Å; F236-L243 HydrophobicContact CB-CD1 4.06Å; I241-L243 HydrophobicContact CG2-CD2 3.7Å; I241-L243 HydrophobicContact CG2-CG 3.79Å; I241-L243 PolarHBondContact O-N 2.95Å; L243-H245 PolarHBondContact O-N 3.43Å; L243-A246 WeakPolarHBondContact O-CB 3.36Å; L243-A246 PolarHBondContact O-N 3.32Å |
| 244 | D | 94.6 | Very high | 95.7 | Very high | 115 Ų | 115 | 44.3 Ų | 44.3 | 62% | 0.615 | 25% | 0.249 | S | C | * | . | G | 310 helix | trans | -63.1 | -35.3 | 178.9 | -68.5 | -33.1 | 0 | 0 | 0 | 111.6 | D242 H284 | D242-D244 PolarHBondContact O-N 3.27Å; D244-H284 PolarHBondContact O-CE1 2.82Å; D244-H284 VanDerWaalsContact O-CE1 3.29Å |
| 245 | H | 95.2 | Very high | 95.7 | Very high | 23 Ų | 23 | 39.9 Ų | 39.9 | 11% | 0.106 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -103 | 15.4 | 176.5 | -53.9 | 99.2 | 0 | 0 | 0 | 113.8 | D242 L243 E280 N283 H284 A287 | D242-H245 VanDerWaalsContact CG-ND1 3.27Å; D242-H245 PolarHBondContact O-N 2.84Å; D242-H245 IonicContact OD1-CE1 3.24Å; D242-H245 IonicContact OD1-CG 3.57Å; D242-H245 PolarHBondContact OD1-N 3.19Å; D242-H245 IonicContact OD1-ND1 2.98Å; D242-H245 PolarHBondContact OD1-ND1 3.44Å; D242-H245 WeakPolarHBondContact OD2-CB 3.31Å; D242-H245 IonicContact OD2-CG 3.21Å; D242-H245 IonicContact OD2-ND1 2.77Å; D242-H245 PolarHBondContact OD2-ND1 3.18Å; L243-H245 PolarHBondContact O-N 3.43Å; H245-E280 IonicContact CE1-OE2 3.22Å; H245-E280 IonicContact NE2-OE2 2.63Å; H245-E280 PolarHBondContact NE2-OE2 3.4Å; H245-N283 WeakPolarHBondContact CD2-CB 3.16Å; H245-N283 WeakPolarHBondContact NE2-CB 3.47Å; H245-H284 AromaticContact CD2-CE1 3.59Å; H245-H284 AromaticContact CD2-ND1 3.59Å; H245-H284 AromaticContact NE2-CE1 3.95Å; H245-A287 WeakPolarHBondContact O-CB 3.43Å |
| 246 | A | 95 | Very high | 95.5 | Very high | 10 Ų | 10 | 40.1 Ų | 40.1 | 8% | 0.083 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -59.7 | 132 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | Q89 D242 L243 S248 S251 | Q89-A246 HydrophobicContact CB-CB 4.26Å; Q89-A246 HydrophobicContact CG-CB 4.25Å; D242-A246 PolarHBondContact O-N 2.79Å; L243-A246 WeakPolarHBondContact O-CB 3.36Å; L243-A246 PolarHBondContact O-N 3.32Å; A246-S248 PolarHBondContact O-N 2.87Å; A246-S248 VanDerWaalsContact O-N 3.13Å; A246-S251 PolarHBondContact O-OG 3.11Å |
| 247 | P | 93 | Very high | 95.4 | Very high | 38 Ų | 38 | 45.4 Ų | 45.4 | 25% | 0.247 | 26% | 0.255 | C | S | . | . | trans | -56.1 | 118.4 | 178.2 | -27.8 | 35.8 | 0 | 0 | 0 | 112.2 | A287 N290 | P247-A287 WeakPolarHBondContact CB-O 3.37Å; P247-N290 HydrophobicContact CB-CB 4.07Å; P247-N290 HydrophobicContact CG-CB 3.7Å | ||
| 248 | S | 92.8 | Very high | 95.4 | Very high | 36 Ų | 36 | 44 Ų | 44 | 25% | 0.252 | 24% | 0.236 | S | C | . | . | trans | -146.8 | 170.3 | -177.9 | 70.9 | 0 | 0 | 0 | 0 | 111.9 | A246 Q250 S251 Y291 | A246-S248 PolarHBondContact O-N 2.87Å; A246-S248 VanDerWaalsContact O-N 3.13Å; S248-Q250 PolarHBondContact O-N 3.27Å; S248-Q250 PolarHBondContact OG-N 2.9Å; S248-S251 PolarHBondContact N-OG 3.49Å; S248-S251 WeakPolarHBondContact O-CB 3.43Å; S248-S251 PolarHBondContact O-N 3.26Å; S248-S251 PolarHBondContact O-OG 3.12Å; S248-S251 PolarHBondContact OG-N 3.33Å; S248-S251 PolarHBondContact OG-OG 3.34Å; S248-Y291 VanDerWaalsContact C-CD2 3.46Å; S248-Y291 VanDerWaalsContact C-CG 3.48Å; S248-Y291 VanDerWaalsContact CA-CD2 3.46Å; S248-Y291 WeakPolarHBondContact O-CD1 3.17Å | ||
| 249 | A | 90.7 | Very high | 95.3 | Very high | 37 Ų | 37 | 42.9 Ų | 42.9 | 31% | 0.306 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -26.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y291 L419 | A249-Y291 HydrophobicContact CB-CE1 3.93Å; A249-L419 WeakPolarHBondContact O-CD2 3.28Å |
| 250 | Q | 93.7 | Very high | 95.2 | Very high | 122 Ų | 122 | 41.4 Ų | 41.4 | 57% | 0.57 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | -9.7 | 179.8 | -64.6 | 174.2 | 2.9 | 0 | 0 | 112.7 | S248 L252 D253 K254 | S248-Q250 PolarHBondContact O-N 3.27Å; S248-Q250 PolarHBondContact OG-N 2.9Å; Q250-L252 PolarHBondContact O-N 2.96Å; Q250-D253 PolarHBondContact O-N 3.01Å; Q250-D253 VanDerWaalsContact O-N 3.09Å; Q250-K254 WeakPolarHBondContact O-CG 3.42Å; Q250-K254 PolarHBondContact O-N 3.4Å |
| 251 | S | 95 | Very high | 95.1 | Very high | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.007 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -58.3 | -35 | -174.9 | -64 | 0 | 0 | 0 | 0 | 112.6 | A246 S248 A255 A287 | A246-S251 PolarHBondContact O-OG 3.11Å; S248-S251 PolarHBondContact N-OG 3.49Å; S248-S251 WeakPolarHBondContact O-CB 3.43Å; S248-S251 PolarHBondContact O-N 3.26Å; S248-S251 PolarHBondContact O-OG 3.12Å; S248-S251 PolarHBondContact OG-N 3.33Å; S248-S251 PolarHBondContact OG-OG 3.34Å; S251-A255 WeakPolarHBondContact O-CB 3.33Å; S251-A255 PolarHBondContact O-N 3.09Å; S251-A287 WeakPolarHBondContact OG-CB 3.4Å |
| 252 | L | 94.5 | Very high | 95 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -74.1 | -36.9 | 178.1 | -170.4 | 65.4 | 0 | 0 | 0 | 112.4 | Q250 A255 A256 L285 A288 I301 L419 I424 I427 | Q250-L252 PolarHBondContact O-N 2.96Å; L252-A255 WeakPolarHBondContact O-CB 3.49Å; L252-A255 PolarHBondContact O-N 3.2Å; L252-A256 PolarHBondContact O-N 3.43Å; L252-L285 HydrophobicContact CD1-CD2 4.01Å; L252-A288 HydrophobicContact CB-CB 4.02Å; L252-A288 HydrophobicContact CD1-CB 4.18Å; L252-I301 HydrophobicContact CD1-CG1 4.37Å; L252-L419 HydrophobicContact CB-CD1 4.25Å; L252-L419 HydrophobicContact CB-CD2 3.93Å; L252-L419 HydrophobicContact CD2-CB 3.94Å; L252-L419 HydrophobicContact CD2-CD1 4.28Å; L252-I424 HydrophobicContact CD2-CD1 4.42Å; L252-I424 HydrophobicContact CD2-CG1 3.69Å; L252-I427 HydrophobicContact CD1-CD1 3.83Å; L252-I427 HydrophobicContact CG-CD1 4.43Å |
| 253 | D | 95.4 | Very high | 94.8 | Very high | 73 Ų | 73 | 46.4 Ų | 46.4 | 39% | 0.39 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -69.8 | -40.9 | 178.3 | -61.1 | -29.7 | 0 | 0 | 0 | 110.9 | Q250 A255 A256 E257 S423 | Q250-D253 PolarHBondContact O-N 3.01Å; Q250-D253 VanDerWaalsContact O-N 3.09Å; D253-A255 VanDerWaalsContact C-N 3.34Å; D253-A255 PolarHBondContact O-N 3.06Å; D253-A256 WeakPolarHBondContact O-CB 3.21Å; D253-A256 PolarHBondContact O-N 3.3Å; D253-A256 VanDerWaalsContact O-N 3.15Å; D253-E257 PolarHBondContact O-N 3.28Å; D253-S423 WeakPolarHBondContact OD1-CB 3.38Å; D253-S423 PolarHBondContact OD1-OG 3.5Å |
| 254 | K | 95.8 | Very high | 94.7 | Very high | 62 Ų | 62 | 49.5 Ų | 49.5 | 27% | 0.27 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -59.1 | -46.2 | 170.3 | -67.1 | -175.8 | -177.3 | -172 | 0 | 110.9 | Q250 A256 E257 Y258 H284 | Q250-K254 WeakPolarHBondContact O-CG 3.42Å; Q250-K254 PolarHBondContact O-N 3.4Å; K254-A256 VanDerWaalsContact C-N 3.26Å; K254-A256 PolarHBondContact O-N 3.17Å; K254-E257 PolarHBondContact O-N 3.32Å; K254-Y258 WeakPolarHBondContact O-CD2 3.36Å; K254-Y258 PolarHBondContact O-N 3.44Å; K254-H284 HydrophobicContact CB-CB 4.32Å |
| 255 | A | 96.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -56.9 | -42.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | S251 L252 D253 Y258 L259 H284 L285 I427 | S251-A255 WeakPolarHBondContact O-CB 3.33Å; S251-A255 PolarHBondContact O-N 3.09Å; L252-A255 WeakPolarHBondContact O-CB 3.49Å; L252-A255 PolarHBondContact O-N 3.2Å; D253-A255 VanDerWaalsContact C-N 3.34Å; D253-A255 PolarHBondContact O-N 3.06Å; A255-Y258 PolarHBondContact O-N 3.34Å; A255-L259 HydrophobicContact CB-CD1 4.43Å; A255-L259 VanDerWaalsContact O-CB 3.27Å; A255-L259 WeakPolarHBondContact O-CB 3.4Å; A255-L259 WeakPolarHBondContact O-CG 3.43Å; A255-L259 PolarHBondContact O-N 3.12Å; A255-H284 HydrophobicContact CB-CB 3.7Å; A255-L285 HydrophobicContact CB-CD2 3.9Å; A255-L285 HydrophobicContact CB-CG 3.86Å; A255-I427 HydrophobicContact CB-CD1 4.25Å |
| 256 | A | 95.8 | Very high | 94.6 | Very high | 6 Ų | 6 | 45.8 Ų | 45.8 | 5% | 0.05 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.5 | -45.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L252 D253 K254 Y258 L259 E260 I427 | L252-A256 PolarHBondContact O-N 3.43Å; D253-A256 WeakPolarHBondContact O-CB 3.21Å; D253-A256 PolarHBondContact O-N 3.3Å; D253-A256 VanDerWaalsContact O-N 3.15Å; K254-A256 VanDerWaalsContact C-N 3.26Å; K254-A256 PolarHBondContact O-N 3.17Å; A256-Y258 PolarHBondContact O-N 3.49Å; A256-L259 PolarHBondContact O-N 2.99Å; A256-E260 WeakPolarHBondContact O-CB 3.47Å; A256-E260 VanDerWaalsContact O-CG 3.28Å; A256-E260 WeakPolarHBondContact O-CG 3.42Å; A256-E260 PolarHBondContact O-N 3.44Å; A256-I427 HydrophobicContact CB-CD1 3.96Å; A256-I427 HydrophobicContact CB-CG1 3.73Å |
| 257 | E | 95.9 | Very high | 94.5 | Very high | 124 Ų | 124 | 50 Ų | 50 | 58% | 0.579 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -55.9 | -49.7 | 178 | -174.2 | -173.8 | 162.5 | 0 | 0 | 112.3 | D253 K254 R261 | D253-E257 PolarHBondContact O-N 3.28Å; K254-E257 PolarHBondContact O-N 3.32Å; E257-R261 WeakPolarHBondContact O-CB 3.46Å; E257-R261 PolarHBondContact O-N 3.33Å; E257-R261 VanDerWaalsContact O-N 3.12Å |
| 258 | Y | 97.1 | Very high | 94.6 | Very high | 63 Ų | 63 | 53.9 Ų | 53.9 | 25% | 0.247 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -69.3 | -41.1 | -179.9 | -79 | -88.1 | 0 | 0 | 0 | 112.5 | K254 A255 A256 R261 A262 C277 E280 H284 | K254-Y258 WeakPolarHBondContact O-CD2 3.36Å; K254-Y258 PolarHBondContact O-N 3.44Å; A255-Y258 PolarHBondContact O-N 3.34Å; A256-Y258 PolarHBondContact O-N 3.49Å; Y258-R261 PolarHBondContact O-N 3.4Å; Y258-A262 PolarHBondContact O-N 2.78Å; Y258-C277 WeakPolarHBondContact CB-O 3.36Å; Y258-C277 PolarHBondContact O-SG 3.07Å; Y258-E280 HydrophobicContact CD1-CB 3.45Å; Y258-E280 VanDerWaalsContact CD1-CB 3.45Å; Y258-E280 HydrophobicContact CD1-CG 4.22Å; Y258-E280 HydrophobicContact CD2-CB 4.34Å; Y258-E280 HydrophobicContact CE1-CB 3.48Å; Y258-E280 VanDerWaalsContact CE1-CB 3.48Å; Y258-E280 HydrophobicContact CE1-CG 3.82Å; Y258-E280 HydrophobicContact CE2-CB 4.4Å; Y258-E280 HydrophobicContact CG-CB 3.9Å; Y258-H284 AromaticContact CD2-CD2 3.73Å; Y258-H284 AromaticContact CE2-CD2 3.77Å; Y258-H284 AromaticContact CE2-NE2 3.66Å |
| 259 | L | 95.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -78.1 | -23.5 | -177.1 | -63.6 | 174.2 | 0 | 0 | 0 | 112.9 | A255 A256 P263 Y278 L285 I427 C430 | A255-L259 HydrophobicContact CB-CD1 4.43Å; A255-L259 VanDerWaalsContact O-CB 3.27Å; A255-L259 WeakPolarHBondContact O-CB 3.4Å; A255-L259 WeakPolarHBondContact O-CG 3.43Å; A255-L259 PolarHBondContact O-N 3.12Å; A256-L259 PolarHBondContact O-N 2.99Å; L259-P263 WeakPolarHBondContact O-CD 3.48Å; L259-Y278 HydrophobicContact CD2-CD1 3.79Å; L259-Y278 HydrophobicContact CD2-CE1 4.42Å; L259-L285 HydrophobicContact CD1-CD1 3.6Å; L259-L285 HydrophobicContact CD1-CD2 4.49Å; L259-L285 HydrophobicContact CD1-CG 3.93Å; L259-I427 HydrophobicContact CB-CG2 4.33Å; L259-I427 HydrophobicContact CD1-CG1 4.43Å; L259-I427 HydrophobicContact CD1-CG2 3.63Å; L259-C430 WeakPolarHBondContact O-CB 3.3Å |
| 260 | E | 94.7 | Very high | 94.6 | Very high | 69 Ų | 69 | 57.6 Ų | 57.6 | 32% | 0.322 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -70.4 | -41 | 165.9 | -78.9 | 179.7 | -173.3 | 0 | 0 | 111.1 | A256 P263 Q264 K426 | A256-E260 WeakPolarHBondContact O-CB 3.47Å; A256-E260 VanDerWaalsContact O-CG 3.28Å; A256-E260 WeakPolarHBondContact O-CG 3.42Å; A256-E260 PolarHBondContact O-N 3.44Å; E260-P263 WeakPolarHBondContact O-CD 2.92Å; E260-Q264 PolarHBondContact O-NE2 3.47Å; E260-Q264 PolarHBondContact O-OE1 3.48Å; E260-K426 WeakPolarHBondContact OE1-CB 3.14Å; E260-K426 WeakPolarHBondContact OE1-CD 3.32Å |
| 261 | R | 95.5 | Very high | 94.6 | Very high | 124 Ų | 124 | 53.3 Ų | 53.3 | 47% | 0.468 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -75 | -29 | -176.3 | -166.7 | 179.8 | 79 | 174.2 | 3.6 | 114.6 | E257 Y258 Q264 L265 C277 | E257-R261 WeakPolarHBondContact O-CB 3.46Å; E257-R261 PolarHBondContact O-N 3.33Å; E257-R261 VanDerWaalsContact O-N 3.12Å; Y258-R261 PolarHBondContact O-N 3.4Å; R261-Q264 PolarHBondContact O-N 3.33Å; R261-Q264 PolarHBondContact O-OE1 2.59Å; R261-L265 HydrophobicContact CG-CD1 4.19Å; R261-L265 HydrophobicContact CG-CG 4.45Å; R261-L265 PolarHBondContact O-N 2.74Å; R261-C277 PolarHBondContact NE-SG 2.99Å |
| 262 | A | 94.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.8 | -44.9 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y258 Q264 L265 E266 C277 Y278 | Y258-A262 PolarHBondContact O-N 2.78Å; A262-Q264 PolarHBondContact O-N 2.91Å; A262-L265 PolarHBondContact O-N 2.97Å; A262-E266 PolarHBondContact O-N 3.3Å; A262-C277 HydrophobicContact CB-CB 3.85Å; A262-Y278 HydrophobicContact CB-CD1 3.72Å; A262-Y278 HydrophobicContact CB-CD2 3.73Å; A262-Y278 HydrophobicContact CB-CE1 3.59Å; A262-Y278 HydrophobicContact CB-CE2 3.6Å; A262-Y278 HydrophobicContact CB-CG 3.78Å |
| 263 | P | 93.4 | Very high | 94.5 | Very high | 37 Ų | 37 | 61 Ų | 61 | 24% | 0.24 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.5 | -34.2 | 175.7 | -24.8 | 34.4 | 0 | 0 | 0 | 115.2 | L259 E260 E266 S267 C430 | L259-P263 WeakPolarHBondContact O-CD 3.48Å; E260-P263 WeakPolarHBondContact O-CD 2.92Å; P263-E266 PolarHBondContact O-N 3.21Å; P263-S267 PolarHBondContact O-N 3.15Å; P263-C430 HydrophobicContact CG-CB 4.26Å |
| 264 | Q | 94.6 | Very high | 94.5 | Very high | 100 Ų | 100 | 57.5 Ų | 57.5 | 47% | 0.467 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -69.9 | -38.4 | 176.6 | -55.2 | 80.3 | 0.3 | 0 | 0 | 110.4 | E260 R261 A262 E266 S267 L268 | E260-Q264 PolarHBondContact O-NE2 3.47Å; E260-Q264 PolarHBondContact O-OE1 3.48Å; R261-Q264 PolarHBondContact O-N 3.33Å; R261-Q264 PolarHBondContact O-OE1 2.59Å; A262-Q264 PolarHBondContact O-N 2.91Å; Q264-E266 VanDerWaalsContact C-N 3.31Å; Q264-E266 PolarHBondContact O-N 3Å; Q264-S267 WeakPolarHBondContact CA-OG 3.46Å; Q264-S267 PolarHBondContact O-N 2.86Å; Q264-S267 VanDerWaalsContact O-N 3.16Å; Q264-S267 PolarHBondContact O-OG 3.49Å; Q264-L268 WeakPolarHBondContact O-CG 3.25Å; Q264-L268 PolarHBondContact O-N 3.32Å |
| 265 | L | 94.5 | Very high | 94.4 | Very high | 18 Ų | 18 | 55 Ų | 55 | 9% | 0.094 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.6 | -39.9 | 174.1 | -69.3 | 169.1 | 0 | 0 | 0 | 111.5 | R261 A262 L268 G269 K270 E273 A274 C277 | R261-L265 HydrophobicContact CG-CD1 4.19Å; R261-L265 HydrophobicContact CG-CG 4.45Å; R261-L265 PolarHBondContact O-N 2.74Å; A262-L265 PolarHBondContact O-N 2.97Å; L265-L268 PolarHBondContact O-N 2.84Å; L265-G269 PolarHBondContact O-N 3.24Å; L265-K270 HydrophobicContact CB-CB 4.42Å; L265-K270 HydrophobicContact CD2-CB 4.35Å; L265-K270 HydrophobicContact CD2-CD 3.95Å; L265-K270 WeakPolarHBondContact O-CB 3.26Å; L265-K270 PolarHBondContact O-N 3.24Å; L265-E273 HydrophobicContact CD1-CB 4.05Å; L265-E273 HydrophobicContact CD2-CB 4.3Å; L265-A274 HydrophobicContact CB-CB 3.78Å; L265-C277 HydrophobicContact CD1-CB 4.13Å |
| 266 | E | 92.4 | Very high | 94.3 | Very high | 41 Ų | 41 | 58.8 Ų | 58.8 | 19% | 0.192 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.4 | -46 | 171.4 | -69.8 | -173.6 | -108.8 | 0 | 0 | 111.9 | A262 P263 Q264 L268 G269 L271 A274 Y278 K311 | A262-E266 PolarHBondContact O-N 3.3Å; P263-E266 PolarHBondContact O-N 3.21Å; Q264-E266 VanDerWaalsContact C-N 3.31Å; Q264-E266 PolarHBondContact O-N 3Å; E266-L268 PolarHBondContact O-N 3.16Å; E266-G269 WeakPolarHBondContact O-CA 3.49Å; E266-G269 PolarHBondContact O-N 3.35Å; E266-L271 HydrophobicContact CG-CD2 4.42Å; E266-A274 HydrophobicContact CG-CB 3.59Å; E266-Y278 HydrophobicContact CG-CE2 4.38Å; E266-Y278 WeakPolarHBondContact OE1-CE2 3.29Å; E266-Y278 PolarHBondContact OE1-OH 2.98Å; E266-K311 VanDerWaalsContact CD-NZ 3.28Å; E266-K311 WeakPolarHBondContact OE1-CE 3.45Å; E266-K311 IonicContact OE1-NZ 2.79Å; E266-K311 PolarHBondContact OE1-NZ 3.38Å; E266-K311 IonicContact OE2-NZ 3.33Å; E266-K311 PolarHBondContact OE2-NZ 2.8Å |
| 267 | S | 93 | Very high | 94.3 | Very high | 99 Ų | 99 | 58.5 Ų | 58.5 | 69% | 0.692 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -62.7 | -26.5 | 179.6 | 77.2 | 0 | 0 | 0 | 0 | 113.2 | P263 Q264 G269 | P263-S267 PolarHBondContact O-N 3.15Å; Q264-S267 WeakPolarHBondContact CA-OG 3.46Å; Q264-S267 PolarHBondContact O-N 2.86Å; Q264-S267 VanDerWaalsContact O-N 3.16Å; Q264-S267 PolarHBondContact O-OG 3.49Å; S267-G269 VanDerWaalsContact C-N 3.28Å |
| 268 | L | 94.6 | Very high | 94.3 | Very high | 120 Ų | 120 | 52.8 Ų | 52.8 | 63% | 0.628 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | 1.5 | 174 | -66.8 | 172 | 0 | 0 | 0 | 113.1 | Q264 L265 E266 K270 | Q264-L268 WeakPolarHBondContact O-CG 3.25Å; Q264-L268 PolarHBondContact O-N 3.32Å; L265-L268 PolarHBondContact O-N 2.84Å; E266-L268 PolarHBondContact O-N 3.16Å; L268-K270 HydrophobicContact CB-CG 4.16Å; L268-K270 PolarHBondContact O-N 2.91Å |
| 269 | G | 91 | Very high | 94.2 | Very high | 56 Ų | 56 | 50.8 Ų | 50.8 | 58% | 0.577 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.1 | 9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | L265 E266 S267 L271 | L265-G269 PolarHBondContact O-N 3.24Å; E266-G269 WeakPolarHBondContact O-CA 3.49Å; E266-G269 PolarHBondContact O-N 3.35Å; S267-G269 VanDerWaalsContact C-N 3.28Å; G269-L271 VanDerWaalsContact C-N 3.28Å; G269-L271 PolarHBondContact O-N 3.5Å |
| 270 | K | 93.8 | Very high | 94.3 | Very high | 94 Ų | 94 | 53.6 Ų | 53.6 | 41% | 0.409 | 29% | 0.287 | S | S | . | . | trans | -87 | 63.7 | -178.5 | -60.4 | -169.6 | 171.9 | -161.5 | 0 | 111.6 | L265 L268 C272 E273 A274 | L265-K270 HydrophobicContact CB-CB 4.42Å; L265-K270 HydrophobicContact CD2-CB 4.35Å; L265-K270 HydrophobicContact CD2-CD 3.95Å; L265-K270 WeakPolarHBondContact O-CB 3.26Å; L265-K270 PolarHBondContact O-N 3.24Å; L268-K270 HydrophobicContact CB-CG 4.16Å; L268-K270 PolarHBondContact O-N 2.91Å; K270-C272 PolarHBondContact O-N 3.25Å; K270-E273 HydrophobicContact CB-CB 4.29Å; K270-E273 VanDerWaalsContact CD-OE2 3.31Å; K270-E273 WeakPolarHBondContact CD-OE2 3.46Å; K270-E273 IonicContact NZ-OE1 3.18Å; K270-E273 IonicContact NZ-OE2 2.86Å; K270-E273 PolarHBondContact NZ-OE2 3.2Å; K270-E273 PolarHBondContact O-N 2.91Å; K270-A274 PolarHBondContact O-N 3.46Å | ||
| 271 | L | 92.5 | Very high | 94.4 | Very high | 32 Ų | 32 | 50.3 Ų | 50.3 | 17% | 0.168 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64 | -37.1 | -168.1 | -59.2 | -176.8 | 0 | 0 | 0 | 114.4 | E266 G269 A274 Y275 L315 L319 L322 | E266-L271 HydrophobicContact CG-CD2 4.42Å; G269-L271 VanDerWaalsContact C-N 3.28Å; G269-L271 PolarHBondContact O-N 3.5Å; L271-A274 PolarHBondContact O-N 3.24Å; L271-Y275 WeakPolarHBondContact O-CB 3.22Å; L271-Y275 PolarHBondContact O-N 3.12Å; L271-L315 HydrophobicContact CB-CD1 4.28Å; L271-L315 HydrophobicContact CD2-CD1 4.07Å; L271-L319 HydrophobicContact CB-CD2 3.59Å; L271-L319 HydrophobicContact CB-CG 4.36Å; L271-L322 HydrophobicContact CD1-CD1 3.66Å |
| 272 | C | 92.6 | Very high | 94.4 | Very high | 68 Ų | 68 | 44.6 Ų | 44.6 | 46% | 0.459 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -65.1 | -47.2 | 176.4 | -62.7 | 0 | 0 | 0 | 0 | 111.6 | K270 A274 Y275 D276 | K270-C272 PolarHBondContact O-N 3.25Å; C272-A274 VanDerWaalsContact C-N 3.28Å; C272-A274 PolarHBondContact O-N 3.04Å; C272-Y275 WeakPolarHBondContact O-CB 3.12Å; C272-Y275 PolarHBondContact O-N 3.05Å; C272-Y275 VanDerWaalsContact O-N 3.16Å; C272-D276 PolarHBondContact O-N 2.82Å |
| 273 | E | 95.2 | Very high | 94.4 | Very high | 94 Ų | 94 | 46.2 Ų | 46.2 | 44% | 0.439 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62.3 | -38.3 | 177.2 | -64.7 | 175.7 | -146.8 | 0 | 0 | 111 | L265 K270 C277 | L265-E273 HydrophobicContact CD1-CB 4.05Å; L265-E273 HydrophobicContact CD2-CB 4.3Å; K270-E273 HydrophobicContact CB-CB 4.29Å; K270-E273 VanDerWaalsContact CD-OE2 3.31Å; K270-E273 WeakPolarHBondContact CD-OE2 3.46Å; K270-E273 IonicContact NZ-OE1 3.18Å; K270-E273 IonicContact NZ-OE2 2.86Å; K270-E273 PolarHBondContact NZ-OE2 3.2Å; K270-E273 PolarHBondContact O-N 2.91Å; E273-C277 VanDerWaalsContact O-CB 3.25Å; E273-C277 WeakPolarHBondContact O-CB 3.48Å; E273-C277 PolarHBondContact O-N 2.95Å |
| 274 | A | 94.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.5 | -43.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L265 E266 K270 L271 C272 C277 Y278 L315 | L265-A274 HydrophobicContact CB-CB 3.78Å; E266-A274 HydrophobicContact CG-CB 3.59Å; K270-A274 PolarHBondContact O-N 3.46Å; L271-A274 PolarHBondContact O-N 3.24Å; C272-A274 VanDerWaalsContact C-N 3.28Å; C272-A274 PolarHBondContact O-N 3.04Å; A274-C277 WeakPolarHBondContact O-CB 3.48Å; A274-C277 PolarHBondContact O-N 3.29Å; A274-Y278 WeakPolarHBondContact O-CD2 3.47Å; A274-Y278 PolarHBondContact O-N 2.99Å; A274-L315 HydrophobicContact CB-CD2 4.08Å |
| 275 | Y | 94.6 | Very high | 94.7 | Very high | 9 Ų | 9 | 40 Ų | 40 | 4% | 0.035 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.6 | -47.6 | 177 | 173.8 | -95.9 | 0 | 0 | 0 | 111.9 | L271 C272 C277 Y278 L279 T312 K316 L319 | L271-Y275 WeakPolarHBondContact O-CB 3.22Å; L271-Y275 PolarHBondContact O-N 3.12Å; C272-Y275 WeakPolarHBondContact O-CB 3.12Å; C272-Y275 PolarHBondContact O-N 3.05Å; C272-Y275 VanDerWaalsContact O-N 3.16Å; Y275-C277 VanDerWaalsContact C-N 3.27Å; Y275-C277 PolarHBondContact O-N 3.18Å; Y275-Y278 PolarHBondContact O-N 2.97Å; Y275-L279 PolarHBondContact O-N 2.98Å; Y275-T312 HydrophobicContact CD2-CG2 3.94Å; Y275-T312 HydrophobicContact CE2-CG2 3.6Å; Y275-K316 HydrophobicContact CD2-CB 4.22Å; Y275-K316 HydrophobicContact CE2-CB 3.65Å; Y275-K316 HydrophobicContact CE2-CD 4.28Å; Y275-K316 HydrophobicContact CE2-CG 4.04Å; Y275-L319 HydrophobicContact CD2-CD1 4.47Å; Y275-L319 HydrophobicContact CG-CD1 4.01Å |
| 276 | D | 94.4 | Very high | 94.6 | Very high | 80 Ų | 80 | 42.8 Ų | 42.8 | 43% | 0.428 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -60.9 | -40.6 | 176 | -66.1 | -22.6 | 0 | 0 | 0 | 110.7 | C272 Y278 L279 E280 | C272-D276 PolarHBondContact O-N 2.82Å; D276-Y278 PolarHBondContact O-N 3.19Å; D276-L279 WeakPolarHBondContact O-CB 3.47Å; D276-L279 PolarHBondContact O-N 3.28Å; D276-E280 WeakPolarHBondContact O-CG 3.31Å; D276-E280 PolarHBondContact O-N 3.33Å |
| 277 | C | 96.1 | Very high | 94.6 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.007 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.6 | -41.1 | 176.9 | -151.6 | 0 | 0 | 0 | 0 | 112.1 | Y258 R261 A262 L265 E273 A274 Y275 G281 | Y258-C277 WeakPolarHBondContact CB-O 3.36Å; Y258-C277 PolarHBondContact O-SG 3.07Å; R261-C277 PolarHBondContact NE-SG 2.99Å; A262-C277 HydrophobicContact CB-CB 3.85Å; L265-C277 HydrophobicContact CD1-CB 4.13Å; E273-C277 VanDerWaalsContact O-CB 3.25Å; E273-C277 WeakPolarHBondContact O-CB 3.48Å; E273-C277 PolarHBondContact O-N 2.95Å; A274-C277 WeakPolarHBondContact O-CB 3.48Å; A274-C277 PolarHBondContact O-N 3.29Å; Y275-C277 VanDerWaalsContact C-N 3.27Å; Y275-C277 PolarHBondContact O-N 3.18Å; C277-G281 PolarHBondContact O-N 2.71Å |
| 278 | Y | 96.1 | Very high | 94.7 | Very high | 4 Ų | 4 | 36.3 Ų | 36.3 | 2% | 0.016 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -66.3 | -37.7 | 173.8 | -79.2 | -61.4 | 0 | 0 | 0 | 113.2 | L259 A262 E266 A274 Y275 D276 G281 L282 K311 T312 L315 | L259-Y278 HydrophobicContact CD2-CD1 3.79Å; L259-Y278 HydrophobicContact CD2-CE1 4.42Å; A262-Y278 HydrophobicContact CB-CD1 3.72Å; A262-Y278 HydrophobicContact CB-CD2 3.73Å; A262-Y278 HydrophobicContact CB-CE1 3.59Å; A262-Y278 HydrophobicContact CB-CE2 3.6Å; A262-Y278 HydrophobicContact CB-CG 3.78Å; E266-Y278 HydrophobicContact CG-CE2 4.38Å; E266-Y278 WeakPolarHBondContact OE1-CE2 3.29Å; E266-Y278 PolarHBondContact OE1-OH 2.98Å; A274-Y278 WeakPolarHBondContact O-CD2 3.47Å; A274-Y278 PolarHBondContact O-N 2.99Å; Y275-Y278 PolarHBondContact O-N 2.97Å; D276-Y278 PolarHBondContact O-N 3.19Å; Y278-G281 PolarHBondContact O-N 3.43Å; Y278-L282 WeakPolarHBondContact O-CB 3.36Å; Y278-L282 WeakPolarHBondContact O-CG 3.45Å; Y278-L282 PolarHBondContact O-N 3.16Å; Y278-K311 HydrophobicContact CE1-CG 4Å; Y278-K311 HydrophobicContact CE2-CG 4.28Å; Y278-K311 VanDerWaalsContact OH-CE 3.23Å; Y278-K311 WeakPolarHBondContact OH-CE 3.38Å; Y278-T312 WeakPolarHBondContact CB-OG1 3.33Å; Y278-L315 HydrophobicContact CD2-CD2 3.79Å; Y278-L315 HydrophobicContact CE2-CD2 3.96Å |
| 279 | L | 94.8 | Very high | 94.5 | Very high | 21 Ų | 21 | 33 Ų | 33 | 11% | 0.11 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.9 | -48.2 | 177.8 | -179.4 | 59.7 | 0 | 0 | 0 | 111 | Y275 D276 L282 N283 I351 | Y275-L279 PolarHBondContact O-N 2.98Å; D276-L279 WeakPolarHBondContact O-CB 3.47Å; D276-L279 PolarHBondContact O-N 3.28Å; L279-L282 WeakPolarHBondContact O-CB 3.37Å; L279-L282 PolarHBondContact O-N 3.08Å; L279-N283 PolarHBondContact O-N 3.4Å; L279-N283 PolarHBondContact O-ND2 3.34Å; L279-I351 HydrophobicContact CD1-CD1 3.38Å; L279-I351 HydrophobicContact CD1-CG1 3.39Å |
| 280 | E | 96.4 | Very high | 94.4 | Very high | 59 Ų | 59 | 32 Ų | 32 | 28% | 0.276 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -62.5 | -43.4 | 175.6 | -69 | -59.7 | 114.9 | 0 | 0 | 111.8 | H245 Y258 D276 L282 N283 H284 | H245-E280 IonicContact CE1-OE2 3.22Å; H245-E280 IonicContact NE2-OE2 2.63Å; H245-E280 PolarHBondContact NE2-OE2 3.4Å; Y258-E280 HydrophobicContact CD1-CB 3.45Å; Y258-E280 VanDerWaalsContact CD1-CB 3.45Å; Y258-E280 HydrophobicContact CD1-CG 4.22Å; Y258-E280 HydrophobicContact CD2-CB 4.34Å; Y258-E280 HydrophobicContact CE1-CB 3.48Å; Y258-E280 VanDerWaalsContact CE1-CB 3.48Å; Y258-E280 HydrophobicContact CE1-CG 3.82Å; Y258-E280 HydrophobicContact CE2-CB 4.4Å; Y258-E280 HydrophobicContact CG-CB 3.9Å; D276-E280 WeakPolarHBondContact O-CG 3.31Å; D276-E280 PolarHBondContact O-N 3.33Å; E280-L282 VanDerWaalsContact C-N 3.3Å; E280-L282 PolarHBondContact O-N 3.41Å; E280-N283 PolarHBondContact O-N 2.85Å; E280-H284 PolarHBondContact O-CD2 2.99Å; E280-H284 PolarHBondContact O-N 2.83Å |
| 281 | G | 96.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -57.7 | -41.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113 | C277 Y278 L285 | C277-G281 PolarHBondContact O-N 2.71Å; Y278-G281 PolarHBondContact O-N 3.43Å; G281-L285 WeakPolarHBondContact O-CG 3.24Å; G281-L285 PolarHBondContact O-N 2.83Å |
| 282 | L | 95.9 | Very high | 94.1 | Very high | 4 Ų | 4 | 30 Ų | 30 | 2% | 0.021 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -65.7 | -43 | 174.9 | -82.5 | 169.3 | 0 | 0 | 0 | 112.5 | Y278 L279 E280 H284 L285 M286 I305 H308 L309 T312 I351 | Y278-L282 WeakPolarHBondContact O-CB 3.36Å; Y278-L282 WeakPolarHBondContact O-CG 3.45Å; Y278-L282 PolarHBondContact O-N 3.16Å; L279-L282 WeakPolarHBondContact O-CB 3.37Å; L279-L282 PolarHBondContact O-N 3.08Å; E280-L282 VanDerWaalsContact C-N 3.3Å; E280-L282 PolarHBondContact O-N 3.41Å; L282-H284 VanDerWaalsContact C-N 3.33Å; L282-H284 PolarHBondContact O-N 2.78Å; L282-L285 HydrophobicContact CD2-CD1 4.45Å; L282-L285 WeakPolarHBondContact O-CB 3.37Å; L282-L285 PolarHBondContact O-N 3.31Å; L282-M286 WeakPolarHBondContact O-CG 3.18Å; L282-M286 PolarHBondContact O-N 2.91Å; L282-I305 HydrophobicContact CD2-CG2 4.49Å; L282-H308 HydrophobicContact CD2-CB 3.67Å; L282-H308 HydrophobicContact CG-CB 4.12Å; L282-L309 HydrophobicContact CD1-CD1 4.35Å; L282-L309 HydrophobicContact CD2-CB 4.42Å; L282-T312 HydrophobicContact CD1-CG2 4.15Å; L282-T312 VanDerWaalsContact CD1-OG1 3.26Å; L282-T312 WeakPolarHBondContact CD1-OG1 3.5Å; L282-I351 HydrophobicContact CB-CD1 4.34Å; L282-I351 HydrophobicContact CD1-CD1 3.78Å |
| 283 | N | 95.1 | Very high | 93.6 | Very high | 34 Ų | 34 | 36.2 Ų | 36.2 | 18% | 0.182 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.7 | -42.8 | 177.3 | -68.6 | -27.4 | 0 | 0 | 0 | 111.1 | H245 L279 E280 M286 A287 | H245-N283 WeakPolarHBondContact CD2-CB 3.16Å; H245-N283 WeakPolarHBondContact NE2-CB 3.47Å; L279-N283 PolarHBondContact O-N 3.4Å; L279-N283 PolarHBondContact O-ND2 3.34Å; E280-N283 PolarHBondContact O-N 2.85Å; N283-M286 WeakPolarHBondContact O-CB 3.34Å; N283-M286 PolarHBondContact O-N 2.88Å; N283-M286 WeakPolarHBondContact OD1-CE 3.29Å; N283-A287 PolarHBondContact O-N 3.45Å |
| 284 | H | 97.3 | Very high | 93 | Very high | 6 Ų | 6 | 35.8 Ų | 35.8 | 3% | 0.028 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -66.8 | -35.4 | 173.5 | -75.4 | -46.2 | 0 | 0 | 0 | 113.3 | D244 H245 K254 A255 Y258 E280 L282 M286 A287 A288 | D244-H284 PolarHBondContact O-CE1 2.82Å; D244-H284 VanDerWaalsContact O-CE1 3.29Å; H245-H284 AromaticContact CD2-CE1 3.59Å; H245-H284 AromaticContact CD2-ND1 3.59Å; H245-H284 AromaticContact NE2-CE1 3.95Å; K254-H284 HydrophobicContact CB-CB 4.32Å; A255-H284 HydrophobicContact CB-CB 3.7Å; Y258-H284 AromaticContact CD2-CD2 3.73Å; Y258-H284 AromaticContact CE2-CD2 3.77Å; Y258-H284 AromaticContact CE2-NE2 3.66Å; E280-H284 PolarHBondContact O-CD2 2.99Å; E280-H284 PolarHBondContact O-N 2.83Å; L282-H284 VanDerWaalsContact C-N 3.33Å; L282-H284 PolarHBondContact O-N 2.78Å; H284-M286 VanDerWaalsContact C-N 3.34Å; H284-M286 PolarHBondContact O-N 3.19Å; H284-A287 WeakPolarHBondContact O-CB 3.25Å; H284-A287 PolarHBondContact O-N 3.2Å; H284-A288 WeakPolarHBondContact O-CB 3.45Å; H284-A288 PolarHBondContact O-N 2.49Å |
| 285 | L | 96.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.8 | -39.8 | 170.9 | -79.2 | 178.3 | 0 | 0 | 0 | 111.9 | L252 A255 L259 G281 L282 A287 A288 Y289 I301 L304 I305 I427 | L252-L285 HydrophobicContact CD1-CD2 4.01Å; A255-L285 HydrophobicContact CB-CD2 3.9Å; A255-L285 HydrophobicContact CB-CG 3.86Å; L259-L285 HydrophobicContact CD1-CD1 3.6Å; L259-L285 HydrophobicContact CD1-CD2 4.49Å; L259-L285 HydrophobicContact CD1-CG 3.93Å; G281-L285 WeakPolarHBondContact O-CG 3.24Å; G281-L285 PolarHBondContact O-N 2.83Å; L282-L285 HydrophobicContact CD2-CD1 4.45Å; L282-L285 WeakPolarHBondContact O-CB 3.37Å; L282-L285 PolarHBondContact O-N 3.31Å; L285-A287 VanDerWaalsContact C-N 3.34Å; L285-A288 PolarHBondContact O-N 2.94Å; L285-Y289 WeakPolarHBondContact O-CB 3.32Å; L285-Y289 PolarHBondContact O-N 2.94Å; L285-I301 HydrophobicContact CD2-CG2 4.28Å; L285-L304 HydrophobicContact CD1-CB 3.99Å; L285-L304 HydrophobicContact CD2-CB 4.15Å; L285-L304 HydrophobicContact CD2-CD1 4.11Å; L285-I305 HydrophobicContact CB-CD1 4.37Å; L285-I305 HydrophobicContact CB-CG1 3.68Å; L285-I305 HydrophobicContact CD1-CG1 4.24Å; L285-I427 HydrophobicContact CD2-CD1 4.11Å |
| 286 | M | 93.7 | Very high | 91.9 | Very high | 77 Ų | 77 | 50.3 Ų | 50.3 | 38% | 0.379 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -62.5 | -43.4 | 173.8 | -67.7 | -163.6 | -62.5 | 0 | 0 | 111.1 | L282 N283 H284 A288 Y289 N290 | L282-M286 WeakPolarHBondContact O-CG 3.18Å; L282-M286 PolarHBondContact O-N 2.91Å; N283-M286 WeakPolarHBondContact O-CB 3.34Å; N283-M286 PolarHBondContact O-N 2.88Å; N283-M286 WeakPolarHBondContact OD1-CE 3.29Å; H284-M286 VanDerWaalsContact C-N 3.34Å; H284-M286 PolarHBondContact O-N 3.19Å; M286-A288 PolarHBondContact O-N 3.45Å; M286-Y289 PolarHBondContact O-N 3.35Å; M286-N290 VanDerWaalsContact O-CB 3.22Å; M286-N290 WeakPolarHBondContact O-CB 3.49Å; M286-N290 VanDerWaalsContact O-CG 3.28Å; M286-N290 PolarHBondContact O-N 3.18Å; M286-N290 PolarHBondContact O-ND2 3.18Å |
| 287 | A | 92.7 | Very high | 91.5 | Very high | 3 Ų | 3 | 47.9 Ų | 47.9 | 3% | 0.025 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.4 | -43.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | H245 P247 S251 N283 H284 L285 N290 Y291 | H245-A287 WeakPolarHBondContact O-CB 3.43Å; P247-A287 WeakPolarHBondContact CB-O 3.37Å; S251-A287 WeakPolarHBondContact OG-CB 3.4Å; N283-A287 PolarHBondContact O-N 3.45Å; H284-A287 WeakPolarHBondContact O-CB 3.25Å; H284-A287 PolarHBondContact O-N 3.2Å; L285-A287 VanDerWaalsContact C-N 3.34Å; A287-N290 CarbonylContact O-C 3.41Å; A287-N290 WeakPolarHBondContact O-CB 3.35Å; A287-N290 PolarHBondContact O-N 3.18Å; A287-Y291 PolarHBondContact O-N 3.3Å |
| 288 | A | 94.1 | Very high | 91 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64 | -43.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L252 H284 L285 M286 N290 Y291 E292 I301 L419 | L252-A288 HydrophobicContact CB-CB 4.02Å; L252-A288 HydrophobicContact CD1-CB 4.18Å; H284-A288 WeakPolarHBondContact O-CB 3.45Å; H284-A288 PolarHBondContact O-N 2.49Å; L285-A288 PolarHBondContact O-N 2.94Å; M286-A288 PolarHBondContact O-N 3.45Å; A288-N290 PolarHBondContact O-N 2.84Å; A288-Y291 PolarHBondContact O-N 3.37Å; A288-Y291 VanDerWaalsContact O-N 3.16Å; A288-E292 WeakPolarHBondContact O-CB 3.38Å; A288-E292 PolarHBondContact O-N 2.66Å; A288-I301 HydrophobicContact CB-CD1 4.3Å; A288-I301 HydrophobicContact CB-CG2 4.49Å; A288-L419 HydrophobicContact CB-CD1 4.46Å |
| 289 | Y | 91.7 | Very high | 90.6 | Very high | 52 Ų | 52 | 52.7 Ų | 52.7 | 20% | 0.204 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.3 | -36.3 | 174.8 | 178.4 | -96.3 | 0 | 0 | 0 | 112.1 | L285 M286 K298 I301 R302 I305 | L285-Y289 WeakPolarHBondContact O-CB 3.32Å; L285-Y289 PolarHBondContact O-N 2.94Å; M286-Y289 PolarHBondContact O-N 3.35Å; Y289-K298 HydrophobicContact CD2-CD 4.4Å; Y289-K298 HydrophobicContact CD2-CG 3.52Å; Y289-K298 VanDerWaalsContact CE1-CE 3.44Å; Y289-K298 HydrophobicContact CE2-CD 4.02Å; Y289-K298 HydrophobicContact CE2-CG 3.25Å; Y289-K298 WeakPolarHBondContact CE2-O 3.36Å; Y289-K298 HydrophobicContact CG-CG 4.34Å; Y289-K298 WeakPolarHBondContact O-CE 3.38Å; Y289-K298 PolarHBondContact O-NZ 3.33Å; Y289-I301 HydrophobicContact CD2-CG2 4.42Å; Y289-R302 HydrophobicContact CD2-CB 4.29Å; Y289-R302 HydrophobicContact CE2-CB 3.94Å; Y289-R302 HydrophobicContact CE2-CG 4.33Å; Y289-R302 PolarHBondContact OH-NE 3.38Å; Y289-R302 PolarHBondContact OH-NH2 2.91Å; Y289-I305 HydrophobicContact CD2-CD1 4.43Å; Y289-I305 HydrophobicContact CG-CD1 4.22Å |
| 290 | N | 88.5 | Confident | 90.5 | Very high | 33 Ų | 33 | 54.5 Ų | 54.5 | 18% | 0.176 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -76.2 | -28.3 | 179.4 | -84.7 | -24.4 | 0 | 0 | 0 | 113 | R86 P247 M286 A287 A288 | R86-N290 VanDerWaalsContact CZ-OD1 3.24Å; R86-N290 PolarHBondContact NH1-OD1 3.47Å; R86-N290 VanDerWaalsContact NH2-CA 3.26Å; R86-N290 PolarHBondContact NH2-O 3.1Å; R86-N290 PolarHBondContact NH2-OD1 3.32Å; P247-N290 HydrophobicContact CB-CB 4.07Å; P247-N290 HydrophobicContact CG-CB 3.7Å; M286-N290 VanDerWaalsContact O-CB 3.22Å; M286-N290 WeakPolarHBondContact O-CB 3.49Å; M286-N290 VanDerWaalsContact O-CG 3.28Å; M286-N290 PolarHBondContact O-N 3.18Å; M286-N290 PolarHBondContact O-ND2 3.18Å; A287-N290 CarbonylContact O-C 3.41Å; A287-N290 WeakPolarHBondContact O-CB 3.35Å; A287-N290 PolarHBondContact O-N 3.18Å; A288-N290 PolarHBondContact O-N 2.84Å |
| 291 | Y | 89.4 | Confident | 90.2 | Very high | 75 Ų | 75 | 51.7 Ų | 51.7 | 29% | 0.294 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -80.6 | -41 | 174.4 | -177.3 | -100 | 0 | 0 | 0 | 112.5 | S248 A249 A287 A288 R293 L419 | S248-Y291 VanDerWaalsContact C-CD2 3.46Å; S248-Y291 VanDerWaalsContact C-CG 3.48Å; S248-Y291 VanDerWaalsContact CA-CD2 3.46Å; S248-Y291 WeakPolarHBondContact O-CD1 3.17Å; A249-Y291 HydrophobicContact CB-CE1 3.93Å; A287-Y291 PolarHBondContact O-N 3.3Å; A288-Y291 PolarHBondContact O-N 3.37Å; A288-Y291 VanDerWaalsContact O-N 3.16Å; Y291-R293 PolarHBondContact O-N 3.4Å; Y291-L419 HydrophobicContact CD1-CD1 4.45Å; Y291-L419 HydrophobicContact CD1-CD2 4.12Å; Y291-L419 HydrophobicContact CD1-CG 4.28Å; Y291-L419 HydrophobicContact CE1-CD2 4.37Å |
| 292 | E | 89.1 | Confident | 90 | Very high | 10 Ų | 10 | 56.5 Ų | 56.5 | 5% | 0.047 | 25% | 0.249 | C | C | . | . | trans | -64.4 | 130.1 | -172.6 | -176 | 54 | -94.6 | 0 | 0 | 113 | A288 L294 K297 K298 I301 L419 | A288-E292 WeakPolarHBondContact O-CB 3.38Å; A288-E292 PolarHBondContact O-N 2.66Å; E292-L294 WeakPolarHBondContact OE1-CB 3.28Å; E292-L294 PolarHBondContact OE1-N 3.15Å; E292-K297 HydrophobicContact CG-CB 3.64Å; E292-K297 WeakPolarHBondContact OE2-CB 3.4Å; E292-K297 WeakPolarHBondContact OE2-CD 3.28Å; E292-K298 HydrophobicContact CG-CB 4.1Å; E292-I301 HydrophobicContact CB-CD1 3.85Å; E292-I301 HydrophobicContact CG-CD1 4.1Å; E292-L419 HydrophobicContact CB-CD1 3.97Å; E292-L419 HydrophobicContact CG-CD1 4.4Å; E292-L419 WeakPolarHBondContact OE2-CD1 3.41Å | ||
| 293 | R | 82.8 | Confident | 89.7 | Confident | 198 Ų | 198 | 62.2 Ų | 62.2 | 75% | 0.747 | 27% | 0.274 | S | S | * | . | trans | -100.3 | -29.3 | -178.7 | -62.3 | -176.8 | 180 | 177.6 | -0.5 | 112.3 | Y291 R295 | Y291-R293 PolarHBondContact O-N 3.4Å; R293-R295 PolarHBondContact O-N 3.5Å | ||
| 294 | L | 83.1 | Confident | 89.6 | Confident | 86 Ų | 86 | 60.6 Ų | 60.6 | 45% | 0.45 | 27% | 0.265 | S | S | . | . | trans | -75.8 | 118.4 | -179.7 | -63.1 | 176.6 | 0 | 0 | 0 | 110 | E292 F296 K297 K298 | E292-L294 WeakPolarHBondContact OE1-CB 3.28Å; E292-L294 PolarHBondContact OE1-N 3.15Å; L294-F296 PolarHBondContact O-N 3.19Å; L294-K297 HydrophobicContact CB-CB 4.32Å; L294-K297 HydrophobicContact CB-CG 4.44Å; L294-K297 HydrophobicContact CD1-CD 4.09Å; L294-K297 PolarHBondContact O-N 3.5Å; L294-K298 VanDerWaalsContact O-CB 3.3Å; L294-K298 WeakPolarHBondContact O-CB 3.41Å; L294-K298 PolarHBondContact O-N 2.59Å | ||
| 295 | R | 81.6 | Confident | 89.5 | Confident | 164 Ų | 164 | 62 Ų | 62 | 62% | 0.619 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -54 | -40.3 | -178.1 | -71 | -172 | 179.9 | -172.6 | 0.4 | 112.9 | R293 K298 S299 D567 | R293-R295 PolarHBondContact O-N 3.5Å; R295-K298 PolarHBondContact O-N 2.78Å; R295-S299 PolarHBondContact O-N 3.27Å; R295-D567 IonicContact CZ-OD2 3.09Å; R295-D567 IonicContact NH1-OD2 2.69Å; R295-D567 PolarHBondContact NH1-OD2 3.14Å |
| 296 | F | 85 | Confident | 89.2 | Confident | 150 Ų | 150 | 67.9 Ų | 67.9 | 66% | 0.658 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -62.1 | -55.3 | 179.3 | -180 | -99.1 | 0 | 0 | 0 | 111.9 | L294 K298 S299 Q300 | L294-F296 PolarHBondContact O-N 3.19Å; F296-K298 VanDerWaalsContact C-N 3.29Å; F296-K298 PolarHBondContact O-N 3.02Å; F296-S299 WeakPolarHBondContact O-CA 3.33Å; F296-S299 VanDerWaalsContact O-CB 3.29Å; F296-S299 WeakPolarHBondContact O-CB 3.39Å; F296-S299 PolarHBondContact O-N 3.46Å; F296-Q300 HydrophobicContact CE1-CG 4.24Å; F296-Q300 HydrophobicContact CZ-CG 4.42Å; F296-Q300 PolarHBondContact O-N 3.37Å |
| 297 | K | 84.9 | Confident | 89 | Confident | 29 Ų | 29 | 65.3 Ų | 65.3 | 13% | 0.126 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.1 | -40.4 | 176.5 | -69.6 | -170.9 | 179.5 | -178.4 | 0 | 111.7 | E292 L294 S299 Q300 I301 L419 | E292-K297 HydrophobicContact CG-CB 3.64Å; E292-K297 WeakPolarHBondContact OE2-CB 3.4Å; E292-K297 WeakPolarHBondContact OE2-CD 3.28Å; L294-K297 HydrophobicContact CB-CB 4.32Å; L294-K297 HydrophobicContact CB-CG 4.44Å; L294-K297 HydrophobicContact CD1-CD 4.09Å; L294-K297 PolarHBondContact O-N 3.5Å; K297-S299 VanDerWaalsContact C-N 3.28Å; K297-S299 PolarHBondContact O-N 3.46Å; K297-Q300 WeakPolarHBondContact O-CB 3.3Å; K297-Q300 PolarHBondContact O-N 2.98Å; K297-Q300 VanDerWaalsContact O-N 3.11Å; K297-I301 WeakPolarHBondContact O-CG1 3.47Å; K297-I301 PolarHBondContact O-N 2.89Å; K297-L419 PolarHBondContact NZ-O 3.06Å |
| 298 | K | 86 | Confident | 88.9 | Confident | 43 Ų | 43 | 65.2 Ų | 65.2 | 19% | 0.187 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.5 | -35.8 | 174.7 | -168.6 | 164.4 | -170.6 | 141.6 | 0 | 112.8 | Y289 E292 L294 R295 F296 R302 | Y289-K298 HydrophobicContact CD2-CD 4.4Å; Y289-K298 HydrophobicContact CD2-CG 3.52Å; Y289-K298 VanDerWaalsContact CE1-CE 3.44Å; Y289-K298 HydrophobicContact CE2-CD 4.02Å; Y289-K298 HydrophobicContact CE2-CG 3.25Å; Y289-K298 WeakPolarHBondContact CE2-O 3.36Å; Y289-K298 HydrophobicContact CG-CG 4.34Å; Y289-K298 WeakPolarHBondContact O-CE 3.38Å; Y289-K298 PolarHBondContact O-NZ 3.33Å; E292-K298 HydrophobicContact CG-CB 4.1Å; L294-K298 VanDerWaalsContact O-CB 3.3Å; L294-K298 WeakPolarHBondContact O-CB 3.41Å; L294-K298 PolarHBondContact O-N 2.59Å; R295-K298 PolarHBondContact O-N 2.78Å; F296-K298 VanDerWaalsContact C-N 3.29Å; F296-K298 PolarHBondContact O-N 3.02Å; K298-R302 WeakPolarHBondContact O-CB 3.39Å; K298-R302 PolarHBondContact O-N 3.09Å |
| 299 | S | 87.7 | Confident | 88.8 | Confident | 62 Ų | 62 | 67 Ų | 67 | 43% | 0.434 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -67.4 | -41.7 | 173.4 | -163.6 | 0 | 0 | 0 | 0 | 112 | R295 F296 K297 R302 K303 | R295-S299 PolarHBondContact O-N 3.27Å; F296-S299 WeakPolarHBondContact O-CA 3.33Å; F296-S299 VanDerWaalsContact O-CB 3.29Å; F296-S299 WeakPolarHBondContact O-CB 3.39Å; F296-S299 PolarHBondContact O-N 3.46Å; K297-S299 VanDerWaalsContact C-N 3.28Å; K297-S299 PolarHBondContact O-N 3.46Å; S299-R302 WeakPolarHBondContact O-CB 3.35Å; S299-R302 PolarHBondContact O-N 3.03Å; S299-K303 PolarHBondContact O-N 2.89Å |
| 300 | Q | 92.2 | Very high | 88.7 | Confident | 59 Ų | 59 | 68 Ų | 68 | 28% | 0.276 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.3 | -47.3 | 174.9 | -65.1 | 176.6 | -54.6 | 0 | 0 | 111.4 | F296 K297 R302 K303 L304 I424 | F296-Q300 HydrophobicContact CE1-CG 4.24Å; F296-Q300 HydrophobicContact CZ-CG 4.42Å; F296-Q300 PolarHBondContact O-N 3.37Å; K297-Q300 WeakPolarHBondContact O-CB 3.3Å; K297-Q300 PolarHBondContact O-N 2.98Å; K297-Q300 VanDerWaalsContact O-N 3.11Å; Q300-R302 VanDerWaalsContact C-N 3.29Å; Q300-R302 PolarHBondContact O-N 3.14Å; Q300-K303 WeakPolarHBondContact O-CB 3.35Å; Q300-K303 PolarHBondContact O-N 3.18Å; Q300-K303 VanDerWaalsContact O-N 3.09Å; Q300-L304 PolarHBondContact O-N 3.41Å; Q300-I424 HydrophobicContact CB-CD1 4.11Å; Q300-I424 HydrophobicContact CB-CG2 4.27Å |
| 301 | I | 90.4 | Very high | 88.7 | Confident | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60.9 | -39.8 | 175.9 | -61.1 | 165.9 | 0 | 0 | 0 | 110.6 | L252 L285 A288 Y289 E292 K297 K303 L304 I305 L419 | L252-I301 HydrophobicContact CD1-CG1 4.37Å; L285-I301 HydrophobicContact CD2-CG2 4.28Å; A288-I301 HydrophobicContact CB-CD1 4.3Å; A288-I301 HydrophobicContact CB-CG2 4.49Å; Y289-I301 HydrophobicContact CD2-CG2 4.42Å; E292-I301 HydrophobicContact CB-CD1 3.85Å; E292-I301 HydrophobicContact CG-CD1 4.1Å; K297-I301 WeakPolarHBondContact O-CG1 3.47Å; K297-I301 PolarHBondContact O-N 2.89Å; I301-K303 VanDerWaalsContact C-N 3.3Å; I301-K303 PolarHBondContact O-N 3.21Å; I301-L304 WeakPolarHBondContact O-CB 3.48Å; I301-L304 PolarHBondContact O-N 3.29Å; I301-I305 HydrophobicContact CG2-CD1 4.11Å; I301-I305 HydrophobicContact CG2-CG1 4.45Å; I301-I305 WeakPolarHBondContact O-CG1 3.47Å; I301-I305 PolarHBondContact O-N 3.49Å; I301-L419 HydrophobicContact CD1-CD1 3.87Å |
| 302 | R | 92.5 | Very high | 88.7 | Confident | 101 Ų | 101 | 63.9 Ų | 63.9 | 38% | 0.381 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.1 | -38.9 | 175.3 | -166.9 | -173.6 | -59.6 | 122.2 | 0.4 | 112.4 | Y289 K298 S299 Q300 I305 K306 | Y289-R302 HydrophobicContact CD2-CB 4.29Å; Y289-R302 HydrophobicContact CE2-CB 3.94Å; Y289-R302 HydrophobicContact CE2-CG 4.33Å; Y289-R302 PolarHBondContact OH-NE 3.38Å; Y289-R302 PolarHBondContact OH-NH2 2.91Å; K298-R302 WeakPolarHBondContact O-CB 3.39Å; K298-R302 PolarHBondContact O-N 3.09Å; S299-R302 WeakPolarHBondContact O-CB 3.35Å; S299-R302 PolarHBondContact O-N 3.03Å; Q300-R302 VanDerWaalsContact C-N 3.29Å; Q300-R302 PolarHBondContact O-N 3.14Å; R302-I305 PolarHBondContact O-N 3.04Å; R302-K306 WeakPolarHBondContact O-CG 3.17Å; R302-K306 PolarHBondContact O-N 3.32Å; R302-K306 VanDerWaalsContact O-N 3.1Å |
| 303 | K | 90.6 | Very high | 88.7 | Confident | 125 Ų | 125 | 65.6 Ų | 65.6 | 54% | 0.543 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -63.8 | -45.5 | 174.7 | -174.3 | -175.9 | 175.5 | -172.2 | 0 | 110.7 | S299 Q300 I301 I305 K306 D307 | S299-K303 PolarHBondContact O-N 2.89Å; Q300-K303 WeakPolarHBondContact O-CB 3.35Å; Q300-K303 PolarHBondContact O-N 3.18Å; Q300-K303 VanDerWaalsContact O-N 3.09Å; I301-K303 VanDerWaalsContact C-N 3.3Å; I301-K303 PolarHBondContact O-N 3.21Å; K303-I305 PolarHBondContact O-N 2.97Å; K303-K306 PolarHBondContact O-N 3.43Å; K303-D307 PolarHBondContact O-N 3.18Å |
| 304 | L | 93.1 | Very high | 88.9 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -56.4 | -47.3 | 174.3 | -68.9 | 178.8 | 0 | 0 | 0 | 111.8 | L285 Q300 I301 K306 D307 H308 I424 I427 N428 | L285-L304 HydrophobicContact CD1-CB 3.99Å; L285-L304 HydrophobicContact CD2-CB 4.15Å; L285-L304 HydrophobicContact CD2-CD1 4.11Å; Q300-L304 PolarHBondContact O-N 3.41Å; I301-L304 WeakPolarHBondContact O-CB 3.48Å; I301-L304 PolarHBondContact O-N 3.29Å; L304-K306 VanDerWaalsContact C-N 3.34Å; L304-K306 PolarHBondContact O-N 2.91Å; L304-D307 PolarHBondContact O-N 3.19Å; L304-H308 WeakPolarHBondContact O-CB 3.13Å; L304-H308 PolarHBondContact O-CD2 3.04Å; L304-H308 VanDerWaalsContact O-CD2 3.28Å; L304-H308 PolarHBondContact O-N 3.21Å; L304-I424 HydrophobicContact CD1-CG2 4.21Å; L304-I427 HydrophobicContact CD1-CB 4.13Å; L304-I427 HydrophobicContact CD1-CD1 4.2Å; L304-I427 HydrophobicContact CD1-CG2 3.96Å; L304-I427 HydrophobicContact CD2-CB 4.27Å; L304-I427 HydrophobicContact CD2-CG2 3.72Å; L304-I427 HydrophobicContact CG-CG2 4.31Å; L304-N428 HydrophobicContact CD2-CB 4.48Å; L304-N428 WeakPolarHBondContact CD2-OD1 3.49Å |
| 305 | I | 93.6 | Very high | 89.1 | Confident | 34 Ų | 34 | 52.1 Ų | 52.1 | 17% | 0.174 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -56.7 | -47.6 | 177 | -69 | 166.7 | 0 | 0 | 0 | 110.8 | L282 L285 Y289 I301 R302 K303 L309 | L282-I305 HydrophobicContact CD2-CG2 4.49Å; L285-I305 HydrophobicContact CB-CD1 4.37Å; L285-I305 HydrophobicContact CB-CG1 3.68Å; L285-I305 HydrophobicContact CD1-CG1 4.24Å; Y289-I305 HydrophobicContact CD2-CD1 4.43Å; Y289-I305 HydrophobicContact CG-CD1 4.22Å; I301-I305 HydrophobicContact CG2-CD1 4.11Å; I301-I305 HydrophobicContact CG2-CG1 4.45Å; I301-I305 WeakPolarHBondContact O-CG1 3.47Å; I301-I305 PolarHBondContact O-N 3.49Å; R302-I305 PolarHBondContact O-N 3.04Å; K303-I305 PolarHBondContact O-N 2.97Å; I305-L309 WeakPolarHBondContact O-CB 3.42Å; I305-L309 PolarHBondContact O-N 3.33Å |
| 306 | K | 91.2 | Very high | 89.5 | Confident | 125 Ų | 125 | 45.9 Ų | 45.9 | 54% | 0.543 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -61.7 | -46.6 | 179.4 | -73.9 | -176.8 | 176.9 | -168.7 | 0 | 112 | R302 K303 L304 L309 L310 | R302-K306 WeakPolarHBondContact O-CG 3.17Å; R302-K306 PolarHBondContact O-N 3.32Å; R302-K306 VanDerWaalsContact O-N 3.1Å; K303-K306 PolarHBondContact O-N 3.43Å; L304-K306 VanDerWaalsContact C-N 3.34Å; L304-K306 PolarHBondContact O-N 2.91Å; K306-L309 PolarHBondContact O-N 3.29Å; K306-L310 WeakPolarHBondContact O-CG 3.37Å; K306-L310 PolarHBondContact O-N 3.28Å |
| 307 | D | 89.2 | Confident | 89.5 | Confident | 23 Ų | 23 | 39.1 Ų | 39.1 | 12% | 0.123 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66.4 | -44.6 | -177.3 | -76.2 | -21.6 | 0 | 0 | 0 | 111.6 | K303 L304 K311 L431 K435 | K303-D307 PolarHBondContact O-N 3.18Å; L304-D307 PolarHBondContact O-N 3.19Å; D307-K311 PolarHBondContact O-N 3.5Å; D307-L431 HydrophobicContact CB-CD1 3.52Å; D307-L431 HydrophobicContact CB-CD2 3.99Å; D307-L431 HydrophobicContact CB-CG 4.41Å; D307-K435 IonicContact OD1-NZ 3.09Å; D307-K435 PolarHBondContact OD1-NZ 2.87Å; D307-K435 IonicContact OD2-NZ 2.78Å; D307-K435 PolarHBondContact OD2-NZ 2.85Å |
| 308 | H | 91.2 | Very high | 89.6 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -70.5 | -34.2 | 176.9 | -77 | -71.6 | 0 | 0 | 0 | 112.7 | L282 L304 L310 K311 T312 I427 L431 | L282-H308 HydrophobicContact CD2-CB 3.67Å; L282-H308 HydrophobicContact CG-CB 4.12Å; L304-H308 WeakPolarHBondContact O-CB 3.13Å; L304-H308 PolarHBondContact O-CD2 3.04Å; L304-H308 VanDerWaalsContact O-CD2 3.28Å; L304-H308 PolarHBondContact O-N 3.21Å; H308-L310 VanDerWaalsContact C-N 3.33Å; H308-L310 PolarHBondContact O-N 3.29Å; H308-K311 PolarHBondContact O-N 3.2Å; H308-T312 WeakPolarHBondContact O-CB 3.4Å; H308-T312 PolarHBondContact O-N 3.02Å; H308-T312 PolarHBondContact O-OG1 3.18Å; H308-I427 WeakPolarHBondContact NE2-CG2 3.35Å; H308-L431 WeakPolarHBondContact CE1-CD2 3.35Å; H308-L431 WeakPolarHBondContact ND1-CD2 3.27Å |
| 309 | L | 91.4 | Very high | 89.7 | Confident | 38 Ų | 38 | 39.9 Ų | 39.9 | 20% | 0.199 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -59.4 | -45.5 | 175.9 | -177.8 | 66.3 | 0 | 0 | 0 | 111.3 | L282 I305 K306 K311 T312 E313 I351 L471 | L282-L309 HydrophobicContact CD1-CD1 4.35Å; L282-L309 HydrophobicContact CD2-CB 4.42Å; I305-L309 WeakPolarHBondContact O-CB 3.42Å; I305-L309 PolarHBondContact O-N 3.33Å; K306-L309 PolarHBondContact O-N 3.29Å; L309-K311 VanDerWaalsContact C-N 3.34Å; L309-K311 PolarHBondContact O-N 3.03Å; L309-T312 PolarHBondContact O-N 3.23Å; L309-E313 WeakPolarHBondContact O-CB 3.46Å; L309-E313 PolarHBondContact O-N 2.91Å; L309-I351 HydrophobicContact CD1-CD1 4.29Å; L309-L471 HydrophobicContact CD2-CD1 4Å |
| 310 | L | 89.9 | Confident | 89.5 | Confident | 73 Ų | 73 | 38 Ų | 38 | 38% | 0.382 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -62.3 | -41.1 | 176.5 | -70.3 | 171.5 | 0 | 0 | 0 | 112 | K306 H308 E313 S314 I438 | K306-L310 WeakPolarHBondContact O-CG 3.37Å; K306-L310 PolarHBondContact O-N 3.28Å; H308-L310 VanDerWaalsContact C-N 3.33Å; H308-L310 PolarHBondContact O-N 3.29Å; L310-E313 PolarHBondContact O-N 3.26Å; L310-S314 PolarHBondContact O-N 3.41Å; L310-I438 HydrophobicContact CB-CG2 4.28Å; L310-I438 VanDerWaalsContact O-CG2 3.29Å; L310-I438 WeakPolarHBondContact O-CG2 3.38Å |
| 311 | K | 87.6 | Confident | 89.1 | Confident | 16 Ų | 16 | 38.4 Ų | 38.4 | 7% | 0.07 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.7 | -48.1 | 176.8 | 175.2 | 59.3 | 179.9 | 173.6 | 0 | 111.4 | E266 Y278 D307 H308 L309 E313 S314 L315 I438 | E266-K311 VanDerWaalsContact CD-NZ 3.28Å; E266-K311 WeakPolarHBondContact OE1-CE 3.45Å; E266-K311 IonicContact OE1-NZ 2.79Å; E266-K311 PolarHBondContact OE1-NZ 3.38Å; E266-K311 IonicContact OE2-NZ 3.33Å; E266-K311 PolarHBondContact OE2-NZ 2.8Å; Y278-K311 HydrophobicContact CE1-CG 4Å; Y278-K311 HydrophobicContact CE2-CG 4.28Å; Y278-K311 VanDerWaalsContact OH-CE 3.23Å; Y278-K311 WeakPolarHBondContact OH-CE 3.38Å; D307-K311 PolarHBondContact O-N 3.5Å; H308-K311 PolarHBondContact O-N 3.2Å; L309-K311 VanDerWaalsContact C-N 3.34Å; L309-K311 PolarHBondContact O-N 3.03Å; K311-E313 VanDerWaalsContact C-N 3.32Å; K311-E313 PolarHBondContact O-N 3.46Å; K311-S314 PolarHBondContact O-N 2.97Å; K311-L315 PolarHBondContact O-N 3.02Å; K311-I438 HydrophobicContact CB-CD1 4.38Å; K311-I438 HydrophobicContact CD-CD1 3.88Å |
| 312 | T | 89.6 | Confident | 88.6 | Confident | 5 Ų | 5 | 42.5 Ų | 42.5 | 3% | 0.031 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.8 | -41.4 | 178 | -52.6 | 0 | 0 | 0 | 0 | 111.5 | Y275 Y278 L282 H308 L309 L315 K316 | Y275-T312 HydrophobicContact CD2-CG2 3.94Å; Y275-T312 HydrophobicContact CE2-CG2 3.6Å; Y278-T312 WeakPolarHBondContact CB-OG1 3.33Å; L282-T312 HydrophobicContact CD1-CG2 4.15Å; L282-T312 VanDerWaalsContact CD1-OG1 3.26Å; L282-T312 WeakPolarHBondContact CD1-OG1 3.5Å; H308-T312 WeakPolarHBondContact O-CB 3.4Å; H308-T312 PolarHBondContact O-N 3.02Å; H308-T312 PolarHBondContact O-OG1 3.18Å; L309-T312 PolarHBondContact O-N 3.23Å; T312-L315 PolarHBondContact O-N 2.91Å; T312-K316 WeakPolarHBondContact O-CB 3.37Å; T312-K316 PolarHBondContact O-N 3.41Å |
| 313 | E | 88.5 | Confident | 87.7 | Confident | 46 Ų | 46 | 40.7 Ų | 40.7 | 22% | 0.215 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.1 | -43.5 | 176.9 | -171.5 | 174 | -170.7 | 0 | 0 | 112 | L309 L310 K311 L315 K316 L317 I442 | L309-E313 WeakPolarHBondContact O-CB 3.46Å; L309-E313 PolarHBondContact O-N 2.91Å; L310-E313 PolarHBondContact O-N 3.26Å; K311-E313 VanDerWaalsContact C-N 3.32Å; K311-E313 PolarHBondContact O-N 3.46Å; E313-L315 VanDerWaalsContact C-N 3.33Å; E313-L315 PolarHBondContact O-N 3.33Å; E313-K316 WeakPolarHBondContact O-CB 3.46Å; E313-K316 PolarHBondContact O-N 3.26Å; E313-L317 WeakPolarHBondContact O-CG 3.02Å; E313-L317 PolarHBondContact O-N 3.38Å; E313-L317 VanDerWaalsContact O-N 3.1Å; E313-I442 HydrophobicContact CB-CD1 4.34Å; E313-I442 HydrophobicContact CG-CD1 4.22Å; E313-I442 HydrophobicContact CG-CG1 4.47Å |
| 314 | S | 87.8 | Confident | 86.4 | Confident | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.007 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.3 | -40.7 | 174.7 | 174.1 | 0 | 0 | 0 | 0 | 112.4 | L310 K311 L317 E318 R441 | L310-S314 PolarHBondContact O-N 3.41Å; K311-S314 PolarHBondContact O-N 2.97Å; S314-L317 PolarHBondContact O-N 2.82Å; S314-E318 PolarHBondContact O-N 3.2Å; S314-E318 VanDerWaalsContact O-N 3.13Å; S314-R441 PolarHBondContact OG-NE 3.17Å; S314-R441 PolarHBondContact OG-NH2 3.05Å |
| 315 | L | 88.1 | Confident | 84.6 | Confident | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -68.6 | -38.1 | 178.7 | -176.6 | 61.4 | 0 | 0 | 0 | 111.5 | L271 A274 Y278 K311 T312 E313 L317 E318 L319 | L271-L315 HydrophobicContact CB-CD1 4.28Å; L271-L315 HydrophobicContact CD2-CD1 4.07Å; A274-L315 HydrophobicContact CB-CD2 4.08Å; Y278-L315 HydrophobicContact CD2-CD2 3.79Å; Y278-L315 HydrophobicContact CE2-CD2 3.96Å; K311-L315 PolarHBondContact O-N 3.02Å; T312-L315 PolarHBondContact O-N 2.91Å; E313-L315 VanDerWaalsContact C-N 3.33Å; E313-L315 PolarHBondContact O-N 3.33Å; L315-L317 VanDerWaalsContact C-N 3.29Å; L315-L317 PolarHBondContact O-N 2.79Å; L315-E318 WeakPolarHBondContact O-CB 3.4Å; L315-E318 PolarHBondContact O-N 3.05Å; L315-L319 WeakPolarHBondContact O-CG 3.29Å; L315-L319 PolarHBondContact O-N 3.36Å |
| 316 | K | 88.2 | Confident | 82.6 | Confident | 32 Ų | 32 | 48.2 Ų | 48.2 | 14% | 0.139 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -54.9 | -46.5 | 172.4 | -170.6 | 174.4 | -179.8 | 163 | 0 | 111.6 | Y275 T312 E313 L319 C320 | Y275-K316 HydrophobicContact CD2-CB 4.22Å; Y275-K316 HydrophobicContact CE2-CB 3.65Å; Y275-K316 HydrophobicContact CE2-CD 4.28Å; Y275-K316 HydrophobicContact CE2-CG 4.04Å; T312-K316 WeakPolarHBondContact O-CB 3.37Å; T312-K316 PolarHBondContact O-N 3.41Å; E313-K316 WeakPolarHBondContact O-CB 3.46Å; E313-K316 PolarHBondContact O-N 3.26Å; K316-L319 PolarHBondContact O-N 2.98Å; K316-C320 PolarHBondContact O-N 3.49Å; K316-C320 PolarHBondContact O-SG 3.26Å |
| 317 | L | 86.5 | Confident | 80.2 | Confident | 9 Ų | 9 | 49.9 Ų | 49.9 | 5% | 0.047 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -66.7 | -37.4 | -179.9 | -67 | 179 | 0 | 0 | 0 | 112.6 | E313 S314 L315 C320 L321 I442 W445 | E313-L317 WeakPolarHBondContact O-CG 3.02Å; E313-L317 PolarHBondContact O-N 3.38Å; E313-L317 VanDerWaalsContact O-N 3.1Å; S314-L317 PolarHBondContact O-N 2.82Å; L315-L317 VanDerWaalsContact C-N 3.29Å; L315-L317 PolarHBondContact O-N 2.79Å; L317-C320 PolarHBondContact O-N 3.47Å; L317-L321 WeakPolarHBondContact O-CG 3.36Å; L317-L321 PolarHBondContact O-N 3.37Å; L317-I442 VanDerWaalsContact CD1-CA 3.48Å; L317-I442 HydrophobicContact CD1-CB 3.96Å; L317-I442 HydrophobicContact CD1-CG1 3.67Å; L317-I442 HydrophobicContact CD1-CG2 4.17Å; L317-W445 HydrophobicContact CD1-CB 4.05Å; L317-W445 HydrophobicContact CD1-CG 4.35Å; L317-W445 HydrophobicContact CD2-CB 4.26Å; L317-W445 HydrophobicContact CD2-CD2 3.4Å; L317-W445 HydrophobicContact CD2-CE3 3.67Å; L317-W445 HydrophobicContact CD2-CG 3.66Å; L317-W445 HydrophobicContact CD2-CH2 4.4Å; L317-W445 HydrophobicContact CD2-CZ2 4.18Å; L317-W445 HydrophobicContact CD2-CZ3 4.17Å; L317-W445 HydrophobicContact CG-CG 4.4Å |
| 318 | E | 86 | Confident | 77.9 | Confident | 66 Ų | 66 | 54 Ų | 54 | 31% | 0.308 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -62.1 | -46.2 | 174.1 | -175.3 | 169.5 | -177.8 | 0 | 0 | 111.6 | S314 L315 C320 L321 L322 | S314-E318 PolarHBondContact O-N 3.2Å; S314-E318 VanDerWaalsContact O-N 3.13Å; L315-E318 WeakPolarHBondContact O-CB 3.4Å; L315-E318 PolarHBondContact O-N 3.05Å; E318-C320 VanDerWaalsContact C-N 3.34Å; E318-C320 PolarHBondContact O-N 3.13Å; E318-L321 PolarHBondContact O-N 2.88Å; E318-L321 VanDerWaalsContact O-N 3.14Å; E318-L322 HydrophobicContact CG-CD1 4.46Å; E318-L322 WeakPolarHBondContact O-CG 3.06Å; E318-L322 PolarHBondContact O-N 3.16Å |
| 319 | L | 87.5 | Confident | 75.4 | Confident | 21 Ų | 21 | 58.3 Ų | 58.3 | 11% | 0.11 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -59.3 | -42.3 | 173.3 | -73.3 | 172.4 | 0 | 0 | 0 | 112.3 | L271 Y275 L315 K316 L321 L322 S323 | L271-L319 HydrophobicContact CB-CD2 3.59Å; L271-L319 HydrophobicContact CB-CG 4.36Å; Y275-L319 HydrophobicContact CD2-CD1 4.47Å; Y275-L319 HydrophobicContact CG-CD1 4.01Å; L315-L319 WeakPolarHBondContact O-CG 3.29Å; L315-L319 PolarHBondContact O-N 3.36Å; K316-L319 PolarHBondContact O-N 2.98Å; L319-L321 VanDerWaalsContact C-N 3.34Å; L319-L321 PolarHBondContact O-N 3.24Å; L319-L322 PolarHBondContact O-N 3.23Å; L319-S323 PolarHBondContact O-N 2.85Å; L319-S323 VanDerWaalsContact O-N 3.1Å |
| 320 | C | 84.2 | Confident | 72.8 | Confident | 22 Ų | 22 | 61.6 Ų | 61.6 | 15% | 0.149 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.2 | -41.9 | 174.6 | -69.9 | 0 | 0 | 0 | 0 | 111.8 | K316 L317 E318 S323 H324 | K316-C320 PolarHBondContact O-N 3.49Å; K316-C320 PolarHBondContact O-SG 3.26Å; L317-C320 PolarHBondContact O-N 3.47Å; E318-C320 VanDerWaalsContact C-N 3.34Å; E318-C320 PolarHBondContact O-N 3.13Å; C320-S323 PolarHBondContact O-N 2.87Å; C320-S323 PolarHBondContact O-OG 3.45Å; C320-H324 PolarHBondContact O-CD2 3.31Å; C320-H324 PolarHBondContact O-N 3.41Å |
| 321 | L | 83.4 | Confident | 70.1 | Confident | 69 Ų | 69 | 63.4 Ų | 63.4 | 36% | 0.361 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -64.5 | -42.1 | 178.6 | -72.2 | 169.1 | 0 | 0 | 0 | 112.1 | L317 E318 L319 S323 H324 T325 | L317-L321 WeakPolarHBondContact O-CG 3.36Å; L317-L321 PolarHBondContact O-N 3.37Å; E318-L321 PolarHBondContact O-N 2.88Å; E318-L321 VanDerWaalsContact O-N 3.14Å; L319-L321 VanDerWaalsContact C-N 3.34Å; L319-L321 PolarHBondContact O-N 3.24Å; L321-S323 VanDerWaalsContact C-N 3.32Å; L321-S323 PolarHBondContact O-N 3.05Å; L321-H324 PolarHBondContact O-N 3.29Å; L321-T325 PolarHBondContact O-N 3.44Å |
| 322 | L | 80.2 | Confident | 67.5 | Low | 85 Ų | 85 | 67.6 Ų | 67.6 | 45% | 0.445 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -62.9 | -37.5 | 177.1 | -68.8 | 170.1 | 0 | 0 | 0 | 112.1 | L271 E318 L319 H324 T325 | L271-L322 HydrophobicContact CD1-CD1 3.66Å; E318-L322 HydrophobicContact CG-CD1 4.46Å; E318-L322 WeakPolarHBondContact O-CG 3.06Å; E318-L322 PolarHBondContact O-N 3.16Å; L319-L322 PolarHBondContact O-N 3.23Å; L322-H324 PolarHBondContact O-N 2.93Å; L322-T325 PolarHBondContact O-N 2.97Å; L322-T325 PolarHBondContact O-OG1 3.02Å |
| 323 | S | 74.9 | Confident | 65 | Low | 64 Ų | 64 | 73.2 Ų | 73.2 | 45% | 0.448 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -66.1 | -24.4 | 177 | 74.4 | 0 | 0 | 0 | 0 | 113.9 | L319 C320 L321 | L319-S323 PolarHBondContact O-N 2.85Å; L319-S323 VanDerWaalsContact O-N 3.1Å; C320-S323 PolarHBondContact O-N 2.87Å; C320-S323 PolarHBondContact O-OG 3.45Å; L321-S323 VanDerWaalsContact C-N 3.32Å; L321-S323 PolarHBondContact O-N 3.05Å |
| 324 | H | 61.4 | Low | 62.2 | Low | 112 Ų | 112 | 80 Ų | 80 | 52% | 0.519 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -87.5 | -27.4 | 179.1 | -72.2 | -57.4 | 0 | 0 | 0 | 113.3 | C320 L321 L322 M327 | C320-H324 PolarHBondContact O-CD2 3.31Å; C320-H324 PolarHBondContact O-N 3.41Å; L321-H324 PolarHBondContact O-N 3.29Å; L322-H324 PolarHBondContact O-N 2.93Å; H324-M327 PolarHBondContact O-N 3.35Å |
| 325 | T | 57 | Low | 59.5 | Low | 77 Ų | 77 | 85.9 Ų | 85.9 | 47% | 0.472 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -68.3 | -36.3 | 179.5 | 43.8 | 0 | 0 | 0 | 0 | 112.3 | L321 L322 M327 T328 | L321-T325 PolarHBondContact O-N 3.44Å; L322-T325 PolarHBondContact O-N 2.97Å; L322-T325 PolarHBondContact O-OG1 3.02Å; T325-M327 PolarHBondContact O-N 3.48Å; T325-T328 PolarHBondContact O-N 2.99Å; T325-T328 PolarHBondContact O-OG1 3.37Å |
| 326 | D | 49.9 | Very low | 56.7 | Low | 127 Ų | 127 | 94.7 Ų | 94.7 | 68% | 0.679 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -24.9 | -179.9 | -77.3 | -11.5 | 0 | 0 | 0 | 113.4 | ||
| 327 | M | 42.3 | Very low | 54 | Low | 160 Ų | 160 | 98.9 Ų | 98.9 | 79% | 0.788 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.2 | -17.4 | 177.4 | -69.6 | -67.8 | -177.7 | 0 | 0 | 113.6 | H324 T325 | H324-M327 PolarHBondContact O-N 3.35Å; T325-M327 PolarHBondContact O-N 3.48Å |
| 328 | T | 39.8 | Very low | 51.2 | Low | 111 Ų | 111 | 107.9 Ų | 107.9 | 68% | 0.681 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.7 | -11.7 | -175.9 | 56.5 | 0 | 0 | 0 | 0 | 114 | T325 | T325-T328 PolarHBondContact O-N 2.99Å; T325-T328 PolarHBondContact O-OG1 3.37Å |
| 329 | S | 39.2 | Very low | 48.3 | Very low | 90 Ų | 90 | 112.4 Ų | 112.4 | 63% | 0.629 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -95.3 | 2.6 | -175.8 | 51 | 0 | 0 | 0 | 0 | 115.7 | S331 | S329-S331 PolarHBondContact O-N 3.25Š|
| 330 | S | 35.8 | Very low | 45.4 | Very low | 106 Ų | 106 | 119.2 Ų | 119.2 | 74% | 0.741 | 67% | 0.674 | S | S | * | * | trans | -95.3 | 62.2 | 174 | 74.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 331 | S | 34.3 | Very low | 42.6 | Very low | 111 Ų | 111 | 125.2 Ų | 125.2 | 78% | 0.776 | 71% | 0.705 | S | S | * | * | trans | -121.6 | 70.5 | 162.3 | 69.5 | 0 | 0 | 0 | 0 | 109.8 | S329 | S329-S331 PolarHBondContact O-N 3.25Š| ||
| 332 | S | 32.5 | Very low | 40 | Very low | 105 Ų | 105 | 127.4 Ų | 127.4 | 73% | 0.734 | 73% | 0.726 | S | S | * | * | trans | -141.7 | 117.2 | 159.1 | 37.6 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 333 | P | 38.4 | Very low | 37.4 | Very low | 122 Ų | 122 | 131.9 Ų | 131.9 | 79% | 0.792 | 75% | 0.745 | S | S | * | * | trans | -76.3 | 155.1 | -174.2 | 31.7 | -32.4 | 0 | 0 | 0 | 110.4 | ||||
| 334 | Q | 29.6 | Very low | 35.2 | Very low | 188 Ų | 188 | 133 Ų | 133 | 88% | 0.879 | 76% | 0.758 | S | S | * | * | trans | 93.9 | 85.1 | 172 | -51.6 | -169.7 | -7.2 | 0 | 0 | 116.5 | ||||
| 335 | S | 30.2 | Very low | 33.7 | Very low | 125 Ų | 125 | 133 Ų | 133 | 87% | 0.874 | 77% | 0.766 | S | S | * | * | 177.6 | 147.2 | 122.6 | 39.2 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 336 | E | 29.9 | Very low | 32.3 | Very low | 186 Ų | 186 | 136.9 Ų | 136.9 | 87% | 0.869 | 78% | 0.784 | S | S | * | * | trans | -56.8 | 148.6 | -165.2 | -72.3 | 174.1 | 153.2 | 0 | 0 | 115.7 | K338 | E336-K338 PolarHBondContact O-N 3.13Å; E336-K338 VanDerWaalsContact O-N 3.12Å | ||
| 337 | P | 31.3 | Very low | 31.4 | Very low | 121 Ų | 121 | 134.3 Ų | 134.3 | 79% | 0.786 | 77% | 0.769 | S | S | * | * | trans | -76 | 104.5 | -166.3 | 30.6 | -33.2 | 0 | 0 | 0 | 111.4 | I339 | P337-I339 PolarHBondContact O-N 3.48Š| ||
| 338 | K | 27.1 | Very low | 30.8 | Very low | 197 Ų | 197 | 129.4 Ų | 129.4 | 86% | 0.857 | 75% | 0.749 | S | S | * | * | trans | -78.4 | 115.5 | 157.5 | -76.6 | -178.4 | 179.3 | 175.7 | 0 | 108.2 | E336 L340 | E336-K338 PolarHBondContact O-N 3.13Å; E336-K338 VanDerWaalsContact O-N 3.12Å; K338-L340 PolarHBondContact O-N 3.01Å | ||
| 339 | I | 26.2 | Very low | 30.3 | Very low | 162 Ų | 162 | 131.3 Ų | 131.3 | 83% | 0.831 | 76% | 0.755 | S | S | * | * | trans | -53.9 | 99.5 | 177.4 | -59.6 | 165.3 | 0 | 0 | 0 | 108.6 | P337 | P337-I339 PolarHBondContact O-N 3.48Š| ||
| 340 | L | 26.6 | Very low | 29.8 | Very low | 163 Ų | 163 | 128.8 Ų | 128.8 | 85% | 0.853 | 74% | 0.737 | S | S | * | * | trans | -94.7 | 116.1 | 172.5 | -147.9 | 87.1 | 0 | 0 | 0 | 107.4 | K338 S342 | K338-L340 PolarHBondContact O-N 3.01Å; L340-S342 PolarHBondContact O-N 3.05Å | ||
| 341 | N | 25.7 | Very low | 29.5 | Very low | 148 Ų | 148 | 125.9 Ų | 125.9 | 79% | 0.791 | 71% | 0.713 | S | S | * | * | trans | -54.8 | 101.4 | 177.5 | -82.8 | -23.6 | 0 | 0 | 0 | 110.7 | Q343 | N341-Q343 VanDerWaalsContact C-N 3.34Å; N341-Q343 PolarHBondContact O-N 3.45Å | ||
| 342 | S | 28 | Very low | 29.2 | Very low | 115 Ų | 115 | 125.7 Ų | 125.7 | 80% | 0.804 | 71% | 0.706 | S | S | * | * | trans | -71.9 | 90 | 167.7 | 59 | 0 | 0 | 0 | 0 | 108.8 | L340 A344 | L340-S342 PolarHBondContact O-N 3.05Å; S342-A344 VanDerWaalsContact C-N 3.31Å; S342-A344 PolarHBondContact O-N 2.96Å | ||
| 343 | Q | 25.4 | Very low | 28.9 | Very low | 179 Ų | 179 | 123.8 Ų | 123.8 | 84% | 0.836 | 69% | 0.692 | S | S | * | * | trans | -70.3 | 95.6 | 160 | -76.5 | -173.3 | -23.1 | 0 | 0 | 107.2 | N341 V345 | N341-Q343 VanDerWaalsContact C-N 3.34Å; N341-Q343 PolarHBondContact O-N 3.45Å; Q343-V345 PolarHBondContact O-N 3.39Å; Q343-V345 VanDerWaalsContact O-N 3.11Å | ||
| 344 | A | 27.8 | Very low | 28.5 | Very low | 87 Ų | 87 | 123.5 Ų | 123.5 | 72% | 0.719 | 68% | 0.681 | S | S | * | * | trans | -56.6 | 115.8 | 168.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | S342 N346 | S342-A344 VanDerWaalsContact C-N 3.31Å; S342-A344 PolarHBondContact O-N 2.96Å; A344-N346 PolarHBondContact O-N 3.36Å | ||
| 345 | V | 30.1 | Very low | 28.2 | Very low | 113 Ų | 113 | 122.3 Ų | 122.3 | 69% | 0.685 | 67% | 0.673 | S | S | * | * | trans | -65 | 99.5 | 176.3 | -179.6 | 0 | 0 | 0 | 0 | 107.4 | Q343 L347 | Q343-V345 PolarHBondContact O-N 3.39Å; Q343-V345 VanDerWaalsContact O-N 3.11Å; V345-L347 VanDerWaalsContact C-N 3.31Å; V345-L347 HydrophobicContact CG1-CG 4.35Å; V345-L347 PolarHBondContact O-N 3Å | ||
| 346 | N | 27.8 | Very low | 27.9 | Very low | 159 Ų | 159 | 122 Ų | 122 | 85% | 0.85 | 67% | 0.67 | S | S | * | * | trans | -67 | 93 | 167.7 | -98.2 | -40.4 | 0 | 0 | 0 | 107.6 | A344 | A344-N346 PolarHBondContact O-N 3.36Š| ||
| 347 | L | 31.8 | Very low | 27.6 | Very low | 72 Ų | 72 | 122.3 Ų | 122.3 | 38% | 0.377 | 66% | 0.664 | S | S | . | * | P | Polyproline II helix | trans | -64.1 | 128.6 | 170.8 | -80.4 | 156.9 | 0 | 0 | 0 | 108.7 | V345 | V345-L347 VanDerWaalsContact C-N 3.31Å; V345-L347 HydrophobicContact CG1-CG 4.35Å; V345-L347 PolarHBondContact O-N 3Å |
| 348 | P | 29.6 | Very low | 27.3 | Very low | 57 Ų | 57 | 123.6 Ų | 123.6 | 37% | 0.37 | 67% | 0.665 | S | S | . | * | P | Polyproline II helix | trans | -59.5 | 148.5 | 178.7 | -17.7 | 27.4 | 0 | 0 | 0 | 111.8 | ||
| 349 | D | 28.7 | Very low | 27.3 | Very low | 151 Ų | 151 | 120.1 Ų | 120.1 | 81% | 0.807 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 143.3 | 178 | -79.2 | -37.3 | 0 | 0 | 0 | 111.3 | ||
| 350 | P | 28.3 | Very low | 27.4 | Very low | 38 Ų | 38 | 117.3 Ų | 117.3 | 25% | 0.247 | 66% | 0.655 | C | S | . | * | P | Polyproline II helix | trans | -62.1 | 141.3 | -178.1 | 23.5 | -31.1 | 0 | 0 | 0 | 112.1 | V352 | P350-V352 PolarHBondContact O-N 3.18Š|
| 351 | I | 30.4 | Very low | 27.4 | Very low | 45 Ų | 45 | 118.4 Ų | 118.4 | 23% | 0.231 | 66% | 0.655 | C | S | . | * | trans | -55 | 109.3 | 164.3 | -53.2 | 173.9 | 0 | 0 | 0 | 106.8 | L279 L282 L309 P353 | L279-I351 HydrophobicContact CD1-CD1 3.38Å; L279-I351 HydrophobicContact CD1-CG1 3.39Å; L282-I351 HydrophobicContact CB-CD1 4.34Å; L282-I351 HydrophobicContact CD1-CD1 3.78Å; L309-I351 HydrophobicContact CD1-CD1 4.29Å; I351-P353 VanDerWaalsContact O-CD 3.25Å; I351-P353 WeakPolarHBondContact O-CD 3.36Å | ||
| 352 | V | 27.8 | Very low | 27.3 | Very low | 106 Ų | 106 | 120.2 Ų | 120.2 | 64% | 0.642 | 66% | 0.659 | S | S | * | * | trans | -77.9 | 115.2 | 166.8 | -179.7 | 0 | 0 | 0 | 0 | 105.6 | P350 M354 | P350-V352 PolarHBondContact O-N 3.18Å; V352-M354 VanDerWaalsContact C-N 3.28Å; V352-M354 PolarHBondContact O-N 3.2Å | ||
| 353 | P | 26.5 | Very low | 27.4 | Very low | 66 Ų | 66 | 120.4 Ų | 120.4 | 43% | 0.429 | 66% | 0.657 | S | S | . | * | trans | -63.5 | 99.4 | 166.7 | -12 | 28 | 0 | 0 | 0 | 105.9 | I351 K355 A469 | I351-P353 VanDerWaalsContact O-CD 3.25Å; I351-P353 WeakPolarHBondContact O-CD 3.36Å; P353-K355 PolarHBondContact O-N 3.13Å; P353-A469 HydrophobicContact CG-CB 4.41Å | ||
| 354 | M | 28.9 | Very low | 27.5 | Very low | 116 Ų | 116 | 121.2 Ų | 121.2 | 57% | 0.571 | 66% | 0.658 | S | S | * | * | trans | -60.4 | 113.8 | 178.4 | -86.3 | -171 | -169.6 | 0 | 0 | 107.3 | L82 V352 C356 | L82-M354 HydrophobicContact CB-SD 3.98Å; L82-M354 HydrophobicContact CD1-SD 4.29Å; L82-M354 HydrophobicContact CD2-SD 4.41Å; L82-M354 HydrophobicContact CG-SD 4.46Å; V352-M354 VanDerWaalsContact C-N 3.28Å; V352-M354 PolarHBondContact O-N 3.2Å; M354-C356 PolarHBondContact O-N 3.16Å | ||
| 355 | K | 23.3 | Very low | 27.4 | Very low | 162 Ų | 162 | 124.2 Ų | 124.2 | 70% | 0.704 | 66% | 0.662 | S | S | * | * | trans | -50.6 | 116.5 | 178.1 | -74.8 | -179.2 | 175.6 | -179.6 | 0 | 108.6 | P353 Y357 | P353-K355 PolarHBondContact O-N 3.13Å; K355-Y357 VanDerWaalsContact C-N 3.28Å; K355-Y357 HydrophobicContact CB-CD2 4.3Å; K355-Y357 HydrophobicContact CB-CE2 4.18Å; K355-Y357 PolarHBondContact O-N 2.78Å | ||
| 356 | C | 23.7 | Very low | 27.3 | Very low | 120 Ų | 120 | 126.3 Ų | 126.3 | 81% | 0.811 | 67% | 0.669 | S | S | * | * | trans | -63.1 | 97.3 | 157.9 | -63.9 | 0 | 0 | 0 | 0 | 106.5 | M354 N358 | M354-C356 PolarHBondContact O-N 3.16Å; C356-N358 PolarHBondContact O-N 3.22Å | ||
| 357 | Y | 24.6 | Very low | 27.1 | Very low | 191 Ų | 191 | 125 Ų | 125 | 75% | 0.749 | 67% | 0.668 | S | S | * | * | trans | -64.6 | 122.5 | 168.4 | -83.1 | -83.7 | 0 | 0 | 0 | 107.9 | K355 V359 | K355-Y357 VanDerWaalsContact C-N 3.28Å; K355-Y357 HydrophobicContact CB-CD2 4.3Å; K355-Y357 HydrophobicContact CB-CE2 4.18Å; K355-Y357 PolarHBondContact O-N 2.78Å; Y357-V359 PolarHBondContact O-N 3.19Å | ||
| 358 | N | 25 | Very low | 26.8 | Very low | 149 Ų | 149 | 129.2 Ų | 129.2 | 80% | 0.797 | 69% | 0.69 | S | S | * | * | trans | -58.5 | 123 | 169.5 | -86.3 | -28.4 | 0 | 0 | 0 | 108.7 | C356 S360 | C356-N358 PolarHBondContact O-N 3.22Å; N358-S360 VanDerWaalsContact C-N 3.31Å; N358-S360 PolarHBondContact O-N 3.04Å | ||
| 359 | V | 27.1 | Very low | 26.5 | Very low | 124 Ų | 124 | 131.5 Ų | 131.5 | 75% | 0.752 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -65.3 | 89.4 | 170.3 | 179.7 | 0 | 0 | 0 | 0 | 107.4 | Y357 | Y357-V359 PolarHBondContact O-N 3.19Š|
| 360 | S | 27.4 | Very low | 26.3 | Very low | 103 Ų | 103 | 129.4 Ų | 129.4 | 72% | 0.72 | 71% | 0.705 | S | S | * | * | trans | 161.7 | 55.5 | 159.9 | 44.4 | 0 | 0 | 0 | 0 | 113.5 | N358 | N358-S360 VanDerWaalsContact C-N 3.31Å; N358-S360 PolarHBondContact O-N 3.04Å | ||
| 361 | Q | 26.9 | Very low | 26.4 | Very low | 186 Ų | 186 | 137.8 Ų | 137.8 | 87% | 0.869 | 74% | 0.737 | S | S | * | * | trans | -137.8 | 100.2 | 157.9 | -68 | -168.1 | 8 | 0 | 0 | 109.7 | ||||
| 362 | Q | 25 | Very low | 26 | Very low | 186 Ų | 186 | 146.1 Ų | 146.1 | 87% | 0.869 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 126.6 | 165.4 | -72.4 | -174 | -16.6 | 0 | 0 | 108.2 | K364 | Q362-K364 PolarHBondContact O-N 2.8Š|
| 363 | P | 29.6 | Very low | 25.9 | Very low | 118 Ų | 118 | 144.7 Ų | 144.7 | 77% | 0.766 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 117.2 | 179.6 | 26 | -30 | 0 | 0 | 0 | 109.1 | N365 | P363-N365 PolarHBondContact O-N 3.22Š|
| 364 | K | 27.3 | Very low | 25.8 | Very low | 197 Ų | 197 | 148.9 Ų | 148.9 | 86% | 0.857 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 120.2 | 166.7 | -73.6 | -175.8 | 176.4 | -179.8 | 0 | 108.2 | Q362 N366 | Q362-K364 PolarHBondContact O-N 2.8Å; K364-N366 PolarHBondContact O-N 3.43Å |
| 365 | N | 24.8 | Very low | 25.5 | Very low | 149 Ų | 149 | 152.9 Ų | 152.9 | 80% | 0.797 | 81% | 0.811 | S | S | * | * | trans | -55.7 | 103.5 | 174.7 | -68.7 | -26.6 | 0 | 0 | 0 | 110.5 | P363 | P363-N365 PolarHBondContact O-N 3.22Š| ||
| 366 | N | 28.4 | Very low | 25.6 | Very low | 157 Ų | 157 | 153 Ų | 153 | 84% | 0.84 | 81% | 0.814 | S | S | * | * | trans | -114.6 | 96.2 | 160.4 | -82.9 | -5.8 | 0 | 0 | 0 | 108 | K364 D368 | K364-N366 PolarHBondContact O-N 3.43Å; N366-D368 PolarHBondContact O-N 3.32Å | ||
| 367 | T | 23.7 | Very low | 25.5 | Very low | 133 Ų | 133 | 156.2 Ų | 156.2 | 82% | 0.816 | 82% | 0.817 | S | S | * | * | trans | -63.4 | 113.8 | 160.1 | 45.1 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 368 | D | 25.7 | Very low | 25.5 | Very low | 160 Ų | 160 | 154.6 Ų | 154.6 | 86% | 0.856 | 82% | 0.82 | S | S | * | * | trans | -146.7 | 109.2 | 145.1 | -140.8 | -11.2 | 0 | 0 | 0 | 111.2 | N366 | N366-D368 PolarHBondContact O-N 3.32Š| ||
| 369 | S | 24.1 | Very low | 25.6 | Very low | 105 Ų | 105 | 153 Ų | 153 | 73% | 0.734 | 82% | 0.818 | S | S | * | * | trans | -86.2 | 115.8 | 177 | 47.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 370 | S | 24.4 | Very low | 25.4 | Very low | 107 Ų | 107 | 157.1 Ų | 157.1 | 75% | 0.748 | 83% | 0.826 | S | S | * | * | trans | 162.2 | 114.6 | 137.5 | 50.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 371 | K | 29.1 | Very low | 25.4 | Very low | 213 Ų | 213 | 161.1 Ų | 161.1 | 93% | 0.926 | 83% | 0.833 | S | S | * | * | trans | -173 | 93.9 | 134.5 | -100.4 | 163.5 | -171.1 | -177.1 | 0 | 108.6 | ||||
| 372 | K | 23.5 | Very low | 25.4 | Very low | 220 Ų | 220 | 161.7 Ų | 161.7 | 96% | 0.957 | 83% | 0.833 | S | S | * | * | trans | -74.5 | 147.3 | 162.3 | -76.5 | 177.7 | 172.7 | 177.1 | 0 | 109.1 | ||||
| 373 | G | 24.4 | Very low | 25.5 | Very low | 76 Ų | 76 | 160.5 Ų | 160.5 | 78% | 0.784 | 83% | 0.832 | S | S | * | * | trans | 124.5 | 125.1 | 171 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 374 | L | 25 | Very low | 25.2 | Very low | 154 Ų | 154 | 161.6 Ų | 161.6 | 81% | 0.806 | 83% | 0.832 | S | S | * | * | cis | -157.8 | 131.6 | 21.8 | -170 | 72.2 | 0 | 0 | 0 | 107 | H376 | L374-H376 PolarHBondContact O-N 3.31Š| ||
| 375 | F | 23 | Very low | 25.1 | Very low | 200 Ų | 200 | 163.8 Ų | 163.8 | 88% | 0.877 | 84% | 0.837 | S | S | * | * | trans | -70.2 | 122.1 | 177.7 | -86.5 | -103.1 | 0 | 0 | 0 | 110.4 | ||||
| 376 | H | 25.2 | Very low | 25 | Very low | 166 Ų | 166 | 165.7 Ų | 165.7 | 77% | 0.769 | 84% | 0.841 | S | S | * | * | trans | -109.7 | 110 | 158.4 | -94.8 | -73.5 | 0 | 0 | 0 | 109.3 | L374 L378 | L374-H376 PolarHBondContact O-N 3.31Å; H376-L378 PolarHBondContact O-N 2.79Å | ||
| 377 | H | 22.4 | Very low | 24.9 | Very low | 186 Ų | 186 | 163.9 Ų | 163.9 | 86% | 0.861 | 84% | 0.84 | S | S | * | * | trans | -56.1 | 122.9 | 166.1 | -99.6 | -76.1 | 0 | 0 | 0 | 110.2 | ||||
| 378 | L | 24.6 | Very low | 25 | Very low | 157 Ų | 157 | 163.1 Ų | 163.1 | 82% | 0.822 | 84% | 0.84 | S | S | * | * | trans | -116.6 | 139.3 | 160.2 | -97.7 | 136.4 | 0 | 0 | 0 | 108.9 | H376 | H376-L378 PolarHBondContact O-N 2.79Š| ||
| 379 | P | 26.4 | Very low | 25 | Very low | 117 Ų | 117 | 164.3 Ų | 164.3 | 76% | 0.76 | 85% | 0.846 | S | S | * | * | trans | -85.2 | 153.6 | -162 | -3 | 23.1 | 0 | 0 | 0 | 112.8 | E381 | P379-E381 PolarHBondContact O-N 2.94Š| ||
| 380 | K | 23.2 | Very low | 25.1 | Very low | 209 Ų | 209 | 168.9 Ų | 168.9 | 91% | 0.909 | 85% | 0.852 | S | S | * | * | trans | -69.3 | 109.6 | 175.5 | -63.2 | 175.2 | 175.8 | -179.2 | 0 | 110.1 | ||||
| 381 | E | 26.5 | Very low | 25.1 | Very low | 188 Ų | 188 | 169.3 Ų | 169.3 | 88% | 0.879 | 86% | 0.855 | S | S | * | * | trans | -88.9 | 134.1 | 161.8 | -78.3 | -175.9 | 162.4 | 0 | 0 | 109.5 | P379 | P379-E381 PolarHBondContact O-N 2.94Š| ||
| 382 | K | 26.2 | Very low | 25 | Very low | 197 Ų | 197 | 168.6 Ų | 168.6 | 86% | 0.857 | 85% | 0.852 | S | S | * | * | trans | -76.8 | 134.6 | -173.7 | -75.2 | 176.3 | 172.4 | 178.2 | 0 | 110.6 | D384 | K382-D384 PolarHBondContact O-N 3.05Š| ||
| 383 | D | 26.9 | Very low | 25 | Very low | 161 Ų | 161 | 163.5 Ų | 163.5 | 86% | 0.861 | 84% | 0.844 | S | S | * | * | trans | -68.6 | 110 | 172.1 | -59.8 | -57.1 | 0 | 0 | 0 | 110.7 | ||||
| 384 | D | 24.5 | Very low | 25 | Very low | 142 Ų | 142 | 167.3 Ų | 167.3 | 76% | 0.759 | 85% | 0.846 | S | S | * | * | trans | -137.5 | 79.4 | 163.7 | -91.5 | -32.3 | 0 | 0 | 0 | 108.7 | K382 | K382-D384 PolarHBondContact O-N 3.05Š| ||
| 385 | Y | 25.8 | Very low | 25.1 | Very low | 243 Ų | 243 | 165.9 Ų | 165.9 | 95% | 0.953 | 85% | 0.846 | S | S | * | * | trans | -147.9 | 74.8 | 160.4 | -93 | -76.9 | 0 | 0 | 0 | 109.6 | ||||
| 386 | Q | 22.2 | Very low | 25.2 | Very low | 189 Ų | 189 | 162.4 Ų | 162.4 | 88% | 0.883 | 84% | 0.841 | S | S | * | * | trans | -88 | 149.4 | 155.1 | -88 | -176.5 | -21.9 | 0 | 0 | 109.5 | ||||
| 387 | S | 25.2 | Very low | 25.2 | Very low | 118 Ų | 118 | 159.2 Ų | 159.2 | 83% | 0.825 | 84% | 0.838 | S | S | * | * | trans | 91.5 | 92 | 170.4 | 81.8 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 388 | S | 25.7 | Very low | 25.3 | Very low | 118 Ų | 118 | 158.4 Ų | 158.4 | 83% | 0.825 | 83% | 0.834 | S | S | * | * | trans | -176.2 | 48.3 | 133.2 | 46 | 0 | 0 | 0 | 0 | 112.1 | K390 | S388-K390 VanDerWaalsContact C-N 3.34Å; S388-K390 PolarHBondContact O-N 2.9Å | ||
| 389 | L | 26.2 | Very low | 25.2 | Very low | 184 Ų | 184 | 156.9 Ų | 156.9 | 96% | 0.963 | 83% | 0.832 | S | S | * | * | trans | -85.3 | 83.9 | 161.9 | -76 | 164.3 | 0 | 0 | 0 | 108.1 | S391 | L389-S391 PolarHBondContact O-N 3.13Š| ||
| 390 | K | 25.9 | Very low | 25.1 | Very low | 201 Ų | 201 | 161.3 Ų | 161.3 | 87% | 0.874 | 84% | 0.835 | S | S | * | * | trans | -72.5 | 109.3 | 164.6 | -86 | -176.9 | 176.1 | 178.4 | 0 | 108 | S388 K392 | S388-K390 VanDerWaalsContact C-N 3.34Å; S388-K390 PolarHBondContact O-N 2.9Å; K390-K392 PolarHBondContact O-N 3.4Å; K390-K392 VanDerWaalsContact O-N 3.14Å | ||
| 391 | S | 25.9 | Very low | 25 | Very low | 116 Ų | 116 | 159.7 Ų | 159.7 | 81% | 0.811 | 83% | 0.83 | S | S | * | * | trans | -48.5 | 109.3 | 168.6 | 40.5 | 0 | 0 | 0 | 0 | 111.2 | L389 S393 | L389-S391 PolarHBondContact O-N 3.13Å; S391-S393 PolarHBondContact O-N 2.79Å | ||
| 392 | K | 26.1 | Very low | 24.7 | Very low | 199 Ų | 199 | 158.7 Ų | 158.7 | 87% | 0.865 | 83% | 0.83 | S | S | * | * | trans | -80.8 | 103.5 | 155.6 | -80 | -177.1 | 176.3 | 178.3 | 0 | 106.6 | K390 L394 | K390-K392 PolarHBondContact O-N 3.4Å; K390-K392 VanDerWaalsContact O-N 3.14Å; K392-L394 PolarHBondContact O-N 3.21Å | ||
| 393 | S | 24.1 | Very low | 24.6 | Very low | 113 Ų | 113 | 158 Ų | 158 | 79% | 0.79 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 119.8 | 170.8 | 48 | 0 | 0 | 0 | 0 | 110.1 | S391 | S391-S393 PolarHBondContact O-N 2.79Š|
| 394 | L | 24.4 | Very low | 24.5 | Very low | 156 Ų | 156 | 158 Ų | 158 | 82% | 0.817 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 146.5 | 167.4 | -102 | 80.6 | 0 | 0 | 0 | 110.1 | K392 T396 | K392-L394 PolarHBondContact O-N 3.21Å; L394-T396 PolarHBondContact O-N 3.24Å |
| 395 | P | 27.2 | Very low | 24.6 | Very low | 124 Ų | 124 | 156.7 Ų | 156.7 | 81% | 0.805 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 127.3 | 175.4 | -9.1 | 24.6 | 0 | 0 | 0 | 110 | S397 | P395-S397 PolarHBondContact O-N 2.81Š|
| 396 | T | 24.7 | Very low | 24.5 | Very low | 127 Ų | 127 | 152.3 Ų | 152.3 | 78% | 0.779 | 83% | 0.825 | S | S | * | * | trans | -59.5 | 114.4 | 173.6 | 35.8 | 0 | 0 | 0 | 0 | 111.6 | L394 E398 | L394-T396 PolarHBondContact O-N 3.24Å; T396-E398 PolarHBondContact O-N 2.97Å | ||
| 397 | S | 25.2 | Very low | 24.7 | Very low | 99 Ų | 99 | 149.5 Ų | 149.5 | 69% | 0.692 | 82% | 0.821 | S | S | * | * | trans | 30.7 | 90.9 | 138 | 57.7 | 0 | 0 | 0 | 0 | 116.5 | P395 T399 | P395-S397 PolarHBondContact O-N 2.81Å; S397-T399 PolarHBondContact O-N 3.18Å | ||
| 398 | E | 25.3 | Very low | 24.6 | Very low | 169 Ų | 169 | 148.5 Ų | 148.5 | 79% | 0.79 | 81% | 0.814 | S | S | * | * | trans | -71.2 | 110.7 | 155 | -76.9 | -176.1 | 165.9 | 0 | 0 | 108.6 | T396 Y400 | T396-E398 PolarHBondContact O-N 2.97Å; E398-Y400 PolarHBondContact O-N 3.3Å | ||
| 399 | T | 22.6 | Very low | 24.6 | Very low | 125 Ų | 125 | 149.9 Ų | 149.9 | 77% | 0.767 | 81% | 0.812 | S | S | * | * | trans | -62.4 | 96.6 | 174.9 | -44.6 | 0 | 0 | 0 | 0 | 109.4 | S397 Q401 | S397-T399 PolarHBondContact O-N 3.18Å; T399-Q401 PolarHBondContact O-N 2.79Å; T399-Q401 VanDerWaalsContact O-N 3.07Å | ||
| 400 | Y | 22.6 | Very low | 24.4 | Very low | 210 Ų | 210 | 147.2 Ų | 147.2 | 82% | 0.824 | 80% | 0.799 | S | S | * | * | trans | -65.6 | 106.1 | 168 | -86.9 | -95.3 | 0 | 0 | 0 | 108.9 | E398 | E398-Y400 PolarHBondContact O-N 3.3Š| ||
| 401 | Q | 21.2 | Very low | 24.2 | Very low | 175 Ų | 175 | 145.6 Ų | 145.6 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | -71.2 | 125.1 | 170.4 | -75.8 | -171.7 | -14.8 | 0 | 0 | 109.5 | T399 Q403 | T399-Q401 PolarHBondContact O-N 2.79Å; T399-Q401 VanDerWaalsContact O-N 3.07Å; Q401-Q403 PolarHBondContact O-N 3.08Å | ||
| 402 | L | 21.2 | Very low | 24 | Very low | 166 Ų | 166 | 145.8 Ų | 145.8 | 87% | 0.869 | 79% | 0.789 | S | S | * | * | trans | -60.1 | 113.1 | 170.9 | -73.1 | 149 | 0 | 0 | 0 | 109.1 | ||||
| 403 | Q | 23.6 | Very low | 23.8 | Very low | 184 Ų | 184 | 145 Ų | 145 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | trans | -96.3 | 109.4 | 162.3 | -80.2 | -171.6 | -28.1 | 0 | 0 | 108.3 | Q401 S405 | Q401-Q403 PolarHBondContact O-N 3.08Å; Q403-S405 PolarHBondContact O-N 2.88Å | ||
| 404 | D | 24.5 | Very low | 23.8 | Very low | 160 Ų | 160 | 148.8 Ų | 148.8 | 86% | 0.856 | 78% | 0.784 | S | S | * | * | trans | -56.4 | 117.8 | 167.7 | -67.6 | -46.1 | 0 | 0 | 0 | 109.6 | ||||
| 405 | S | 27 | Very low | 23.7 | Very low | 115 Ų | 115 | 151.6 Ų | 151.6 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | trans | -139.3 | 116.6 | 158.3 | 53.2 | 0 | 0 | 0 | 0 | 109.2 | Q403 | Q403-S405 PolarHBondContact O-N 2.88Š| ||
| 406 | D | 23.5 | Very low | 23.7 | Very low | 150 Ų | 150 | 148 Ų | 148 | 80% | 0.802 | 77% | 0.769 | S | S | * | * | trans | -60.6 | 132.9 | -178.4 | -79.6 | -49.2 | 0 | 0 | 0 | 112.8 | ||||
| 407 | T | 26.2 | Very low | 23.9 | Very low | 130 Ų | 130 | 148 Ų | 148 | 80% | 0.798 | 77% | 0.765 | S | S | * | * | trans | 47.2 | 99.3 | 141.5 | 64.8 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 408 | S | 23.9 | Very low | 24.6 | Very low | 98 Ų | 98 | 147.2 Ų | 147.2 | 69% | 0.685 | 76% | 0.758 | S | S | * | * | trans | -148 | 120 | 133.8 | 77.6 | 0 | 0 | 0 | 0 | 109.4 | N410 | S408-N410 PolarHBondContact O-N 2.92Š| ||
| 409 | D | 24.7 | Very low | 25.6 | Very low | 147 Ų | 147 | 139.5 Ų | 139.5 | 79% | 0.786 | 72% | 0.722 | S | S | * | * | trans | -51.6 | 91.2 | 177.8 | -71.5 | -48.3 | 0 | 0 | 0 | 112.4 | ||||
| 410 | N | 22.5 | Very low | 27.1 | Very low | 128 Ų | 128 | 135.9 Ų | 135.9 | 68% | 0.684 | 70% | 0.702 | S | S | * | * | trans | -114.4 | 86.5 | 165.3 | -88.5 | -27.7 | 0 | 0 | 0 | 108 | S408 T412 | S408-N410 PolarHBondContact O-N 2.92Å; N410-T412 PolarHBondContact O-N 3.36Å; N410-T412 PolarHBondContact O-OG1 3.15Å | ||
| 411 | F | 22.7 | Very low | 28.7 | Very low | 166 Ų | 166 | 130 Ų | 130 | 73% | 0.728 | 69% | 0.688 | S | S | * | * | trans | -64.4 | 76.4 | 161.8 | -75.1 | -86.9 | 0 | 0 | 0 | 109 | Y413 | F411-Y413 VanDerWaalsContact C-N 3.3Å; F411-Y413 PolarHBondContact O-N 3.46Å | ||
| 412 | T | 20.5 | Very low | 31.1 | Very low | 121 Ų | 121 | 126.3 Ų | 126.3 | 74% | 0.742 | 67% | 0.674 | S | S | * | * | trans | -71.4 | 92.1 | 167.7 | 29.1 | 0 | 0 | 0 | 0 | 107.8 | N410 F414 | N410-T412 PolarHBondContact O-N 3.36Å; N410-T412 PolarHBondContact O-OG1 3.15Å; T412-F414 PolarHBondContact O-N 2.95Å; T412-F414 VanDerWaalsContact O-N 3.12Å | ||
| 413 | Y | 23.3 | Very low | 33.3 | Very low | 181 Ų | 181 | 118.8 Ų | 118.8 | 71% | 0.71 | 64% | 0.635 | S | S | * | * | trans | -47.9 | 121 | 159.6 | -76.5 | -92 | 0 | 0 | 0 | 107.9 | F411 R415 | F411-Y413 VanDerWaalsContact C-N 3.3Å; F411-Y413 PolarHBondContact O-N 3.46Å; Y413-R415 PolarHBondContact O-N 3.27Å | ||
| 414 | F | 23.1 | Very low | 35.4 | Very low | 193 Ų | 193 | 110.3 Ų | 110.3 | 85% | 0.846 | 60% | 0.596 | S | S | * | * | trans | -59.5 | 80.5 | 161 | -90 | -88.7 | 0 | 0 | 0 | 108 | T412 G416 | T412-F414 PolarHBondContact O-N 2.95Å; T412-F414 VanDerWaalsContact O-N 3.12Å; F414-G416 PolarHBondContact O-N 3.43Å | ||
| 415 | R | 22.7 | Very low | 37.7 | Very low | 215 Ų | 215 | 108.7 Ų | 108.7 | 81% | 0.811 | 58% | 0.583 | S | S | * | * | trans | -63.4 | 113 | 150.5 | -121 | -179.1 | -171.8 | -179.1 | 3.8 | 102.4 | Y413 D417 | Y413-R415 PolarHBondContact O-N 3.27Å; R415-D417 VanDerWaalsContact C-N 3.33Å; R415-D417 PolarHBondContact O-N 2.76Å | ||
| 416 | G | 26.2 | Very low | 39.8 | Very low | 49 Ų | 49 | 108.2 Ų | 108.2 | 51% | 0.505 | 57% | 0.567 | S | S | . | * | trans | -52.9 | 106.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 107.1 | F414 C418 | F414-G416 PolarHBondContact O-N 3.43Å; G416-C418 PolarHBondContact O-N 3.36Å | ||
| 417 | D | 30.2 | Very low | 42 | Very low | 127 Ų | 127 | 101.1 Ų | 101.1 | 68% | 0.679 | 53% | 0.528 | S | S | * | . | trans | -56.6 | 118.3 | -178.3 | -74.9 | -40.6 | 0 | 0 | 0 | 106.6 | R415 L419 | R415-D417 VanDerWaalsContact C-N 3.33Å; R415-D417 PolarHBondContact O-N 2.76Å; D417-L419 PolarHBondContact O-N 3.27Å | ||
| 418 | C | 38.9 | Very low | 44.4 | Very low | 83 Ų | 83 | 97.8 Ų | 97.8 | 56% | 0.561 | 51% | 0.506 | S | S | * | . | trans | -64.6 | 132.4 | 179.1 | -62.6 | 0 | 0 | 0 | 0 | 107 | G416 S420 | G416-C418 PolarHBondContact O-N 3.36Å; C418-S420 PolarHBondContact O-N 3.39Å | ||
| 419 | L | 46 | Very low | 46.9 | Very low | 7 Ų | 7 | 99 Ų | 99 | 4% | 0.037 | 51% | 0.505 | C | S | . | . | trans | -41.7 | 128.6 | 179.5 | -63.4 | 175.3 | 0 | 0 | 0 | 111 | A249 L252 A288 Y291 E292 K297 I301 D417 | A249-L419 WeakPolarHBondContact O-CD2 3.28Å; L252-L419 HydrophobicContact CB-CD1 4.25Å; L252-L419 HydrophobicContact CB-CD2 3.93Å; L252-L419 HydrophobicContact CD2-CB 3.94Å; L252-L419 HydrophobicContact CD2-CD1 4.28Å; A288-L419 HydrophobicContact CB-CD1 4.46Å; Y291-L419 HydrophobicContact CD1-CD1 4.45Å; Y291-L419 HydrophobicContact CD1-CD2 4.12Å; Y291-L419 HydrophobicContact CD1-CG 4.28Å; Y291-L419 HydrophobicContact CE1-CD2 4.37Å; E292-L419 HydrophobicContact CB-CD1 3.97Å; E292-L419 HydrophobicContact CG-CD1 4.4Å; E292-L419 WeakPolarHBondContact OE2-CD1 3.41Å; K297-L419 PolarHBondContact NZ-O 3.06Å; I301-L419 HydrophobicContact CD1-CD1 3.87Å; D417-L419 PolarHBondContact O-N 3.27Å | ||
| 420 | S | 53.8 | Low | 49.3 | Very low | 49 Ų | 49 | 93.5 Ų | 93.5 | 34% | 0.343 | 48% | 0.477 | S | S | . | . | trans | -60.9 | 144.6 | -177 | 78.8 | 0 | 0 | 0 | 0 | 110.8 | C418 S423 | C418-S420 PolarHBondContact O-N 3.39Å; S420-S423 PolarHBondContact OG-N 2.62Å; S420-S423 PolarHBondContact OG-OG 2.77Å | ||
| 421 | T | 58 | Low | 51.4 | Low | 86 Ų | 86 | 89 Ų | 89 | 53% | 0.528 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -68.5 | -29.3 | 174.8 | 39.6 | 0 | 0 | 0 | 0 | 111.9 | S423 I424 E425 | T421-S423 VanDerWaalsContact C-N 3.3Å; T421-S423 PolarHBondContact O-N 3.17Å; T421-I424 WeakPolarHBondContact O-CB 3.47Å; T421-I424 PolarHBondContact O-N 2.94Å; T421-I424 VanDerWaalsContact O-N 3.11Å; T421-E425 PolarHBondContact O-N 3.49Å |
| 422 | D | 69.8 | Low | 53.3 | Low | 98 Ų | 98 | 83.2 Ų | 83.2 | 52% | 0.524 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -62.9 | -37.1 | -174.3 | -55.7 | -0.8 | 0 | 0 | 0 | 111.4 | I424 E425 K426 | D422-I424 PolarHBondContact O-N 3.26Å; D422-E425 PolarHBondContact O-N 2.92Å; D422-K426 WeakPolarHBondContact O-CB 3.38Å; D422-K426 VanDerWaalsContact O-CG 3.29Å; D422-K426 WeakPolarHBondContact O-CG 3.34Å; D422-K426 PolarHBondContact O-N 3.14Å |
| 423 | S | 68.1 | Low | 55.2 | Low | 7 Ų | 7 | 83.6 Ų | 83.6 | 5% | 0.049 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -68.4 | -32.5 | 177.3 | -58.2 | 0 | 0 | 0 | 0 | 112.6 | D253 S420 T421 I427 | D253-S423 WeakPolarHBondContact OD1-CB 3.38Å; D253-S423 PolarHBondContact OD1-OG 3.5Å; S420-S423 PolarHBondContact OG-N 2.62Å; S420-S423 PolarHBondContact OG-OG 2.77Å; T421-S423 VanDerWaalsContact C-N 3.3Å; T421-S423 PolarHBondContact O-N 3.17Å; S423-I427 WeakPolarHBondContact O-CD1 3.38Å; S423-I427 WeakPolarHBondContact O-CG1 3.49Å; S423-I427 PolarHBondContact O-N 3.49Å; S423-I427 VanDerWaalsContact O-N 3.12Å |
| 424 | I | 67.9 | Low | 57.3 | Low | 7 Ų | 7 | 78.7 Ų | 78.7 | 4% | 0.036 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -66.2 | -43.4 | 174 | -62.4 | -175.6 | 0 | 0 | 0 | 110.5 | L252 Q300 L304 T421 D422 N428 | L252-I424 HydrophobicContact CD2-CD1 4.42Å; L252-I424 HydrophobicContact CD2-CG1 3.69Å; Q300-I424 HydrophobicContact CB-CD1 4.11Å; Q300-I424 HydrophobicContact CB-CG2 4.27Å; L304-I424 HydrophobicContact CD1-CG2 4.21Å; T421-I424 WeakPolarHBondContact O-CB 3.47Å; T421-I424 PolarHBondContact O-N 2.94Å; T421-I424 VanDerWaalsContact O-N 3.11Å; D422-I424 PolarHBondContact O-N 3.26Å; I424-N428 WeakPolarHBondContact CG2-ND2 3.46Å; I424-N428 PolarHBondContact O-N 2.99Å; I424-N428 VanDerWaalsContact O-N 3.08Å; I424-N428 PolarHBondContact O-ND2 3.47Å |
| 425 | E | 73 | Confident | 59.3 | Low | 125 Ų | 125 | 74.6 Ų | 74.6 | 58% | 0.584 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -66.1 | -46.1 | -179.9 | -171.9 | 173.5 | 179 | 0 | 0 | 111.5 | T421 D422 I427 N428 N429 | T421-E425 PolarHBondContact O-N 3.49Å; D422-E425 PolarHBondContact O-N 2.92Å; E425-I427 PolarHBondContact O-N 3.41Å; E425-N428 PolarHBondContact O-N 3.11Å; E425-N428 VanDerWaalsContact O-N 3.16Å; E425-N429 PolarHBondContact O-N 2.94Å; E425-N429 VanDerWaalsContact O-N 3.08Å; E425-N429 PolarHBondContact O-ND2 3.13Å |
| 426 | K | 71.9 | Confident | 61.4 | Low | 106 Ų | 106 | 68.1 Ų | 68.1 | 46% | 0.461 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -52 | -51.3 | 173.4 | -78.8 | 173.2 | 176.7 | -170.9 | 0 | 112.6 | E260 D422 N428 N429 C430 | E260-K426 WeakPolarHBondContact OE1-CB 3.14Å; E260-K426 WeakPolarHBondContact OE1-CD 3.32Å; D422-K426 WeakPolarHBondContact O-CB 3.38Å; D422-K426 VanDerWaalsContact O-CG 3.29Å; D422-K426 WeakPolarHBondContact O-CG 3.34Å; D422-K426 PolarHBondContact O-N 3.14Å; K426-N428 PolarHBondContact O-N 3.01Å; K426-N429 PolarHBondContact O-N 3.09Å; K426-C430 PolarHBondContact O-SG 3.14Å |
| 427 | I | 68.3 | Low | 63.4 | Low | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -62.3 | -42.3 | 179.1 | -64.8 | 165.4 | 0 | 0 | 0 | 111.3 | L252 A255 A256 L259 L285 L304 H308 S423 E425 N429 C430 | L252-I427 HydrophobicContact CD1-CD1 3.83Å; L252-I427 HydrophobicContact CG-CD1 4.43Å; A255-I427 HydrophobicContact CB-CD1 4.25Å; A256-I427 HydrophobicContact CB-CD1 3.96Å; A256-I427 HydrophobicContact CB-CG1 3.73Å; L259-I427 HydrophobicContact CB-CG2 4.33Å; L259-I427 HydrophobicContact CD1-CG1 4.43Å; L259-I427 HydrophobicContact CD1-CG2 3.63Å; L285-I427 HydrophobicContact CD2-CD1 4.11Å; L304-I427 HydrophobicContact CD1-CB 4.13Å; L304-I427 HydrophobicContact CD1-CD1 4.2Å; L304-I427 HydrophobicContact CD1-CG2 3.96Å; L304-I427 HydrophobicContact CD2-CB 4.27Å; L304-I427 HydrophobicContact CD2-CG2 3.72Å; L304-I427 HydrophobicContact CG-CG2 4.31Å; H308-I427 WeakPolarHBondContact NE2-CG2 3.35Å; S423-I427 WeakPolarHBondContact O-CD1 3.38Å; S423-I427 WeakPolarHBondContact O-CG1 3.49Å; S423-I427 PolarHBondContact O-N 3.49Å; S423-I427 VanDerWaalsContact O-N 3.12Å; E425-I427 PolarHBondContact O-N 3.41Å; I427-N429 VanDerWaalsContact C-N 3.26Å; I427-N429 PolarHBondContact O-N 3.46Å; I427-C430 PolarHBondContact O-N 3.44Å; I427-C430 VanDerWaalsContact O-N 3.17Å |
| 428 | N | 76.2 | Confident | 64.9 | Low | 60 Ų | 60 | 60.8 Ų | 60.8 | 32% | 0.321 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -60.6 | -36.2 | 178.8 | -82.8 | -61.1 | 0 | 0 | 0 | 112.5 | L304 I424 E425 K426 C430 L431 | L304-N428 HydrophobicContact CD2-CB 4.48Å; L304-N428 WeakPolarHBondContact CD2-OD1 3.49Å; I424-N428 WeakPolarHBondContact CG2-ND2 3.46Å; I424-N428 PolarHBondContact O-N 2.99Å; I424-N428 VanDerWaalsContact O-N 3.08Å; I424-N428 PolarHBondContact O-ND2 3.47Å; E425-N428 PolarHBondContact O-N 3.11Å; E425-N428 VanDerWaalsContact O-N 3.16Å; K426-N428 PolarHBondContact O-N 3.01Å; N428-C430 PolarHBondContact O-N 3.03Å; N428-L431 PolarHBondContact O-N 3.41Å |
| 429 | N | 78.2 | Confident | 66 | Low | 125 Ų | 125 | 60.5 Ų | 60.5 | 67% | 0.668 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -69.6 | -18.3 | -179.6 | -68.5 | -24.4 | 0 | 0 | 0 | 113.3 | E425 K426 I427 | E425-N429 PolarHBondContact O-N 2.94Å; E425-N429 VanDerWaalsContact O-N 3.08Å; E425-N429 PolarHBondContact O-ND2 3.13Å; K426-N429 PolarHBondContact O-N 3.09Å; I427-N429 VanDerWaalsContact C-N 3.26Å; I427-N429 PolarHBondContact O-N 3.46Å |
| 430 | C | 73.4 | Confident | 67.1 | Low | 31 Ų | 31 | 64.3 Ų | 64.3 | 21% | 0.209 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -15.2 | -178.8 | -62.3 | 0 | 0 | 0 | 0 | 114.1 | L259 P263 K426 I427 N428 | L259-C430 WeakPolarHBondContact O-CB 3.3Å; P263-C430 HydrophobicContact CG-CB 4.26Å; K426-C430 PolarHBondContact O-SG 3.14Å; I427-C430 PolarHBondContact O-N 3.44Å; I427-C430 VanDerWaalsContact O-N 3.17Å; N428-C430 PolarHBondContact O-N 3.03Å |
| 431 | L | 67.7 | Low | 67.6 | Low | 32 Ų | 32 | 67 Ų | 67 | 17% | 0.168 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -73.8 | 129 | -179.4 | -74.7 | 162.9 | 0 | 0 | 0 | 111.1 | D307 H308 N428 S433 | D307-L431 HydrophobicContact CB-CD1 3.52Å; D307-L431 HydrophobicContact CB-CD2 3.99Å; D307-L431 HydrophobicContact CB-CG 4.41Å; H308-L431 WeakPolarHBondContact CE1-CD2 3.35Å; H308-L431 WeakPolarHBondContact ND1-CD2 3.27Å; N428-L431 PolarHBondContact O-N 3.41Å; L431-S433 PolarHBondContact O-N 3.25Å |
| 432 | S | 63 | Low | 67.7 | Low | 46 Ų | 46 | 63.5 Ų | 63.5 | 32% | 0.322 | 34% | 0.342 | S | S | . | . | trans | -59.7 | 140.1 | 177.8 | 79.1 | 0 | 0 | 0 | 0 | 111.6 | D434 | S432-D434 PolarHBondContact O-N 3.08Å; S432-D434 VanDerWaalsContact O-N 3.16Å | ||
| 433 | S | 59 | Low | 67.6 | Low | 128 Ų | 128 | 64.8 Ų | 64.8 | 90% | 0.895 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -62 | -21.1 | 176.2 | 54.2 | 0 | 0 | 0 | 0 | 113.9 | L431 K435 | L431-S433 PolarHBondContact O-N 3.25Å; S433-K435 VanDerWaalsContact C-N 3.33Å; S433-K435 PolarHBondContact O-N 2.67Å |
| 434 | D | 69 | Low | 67.5 | Low | 79 Ų | 79 | 69.7 Ų | 69.7 | 42% | 0.422 | 37% | 0.365 | S | S | . | . | trans | -87.3 | 57.8 | -174.8 | -170.8 | 21.9 | 0 | 0 | 0 | 114.2 | S432 S436 G437 I438 | S432-D434 PolarHBondContact O-N 3.08Å; S432-D434 VanDerWaalsContact O-N 3.16Å; D434-S436 PolarHBondContact O-N 2.79Å; D434-G437 PolarHBondContact O-N 3.04Å; D434-G437 WeakPolarHBondContact OD1-CA 3.46Å; D434-G437 PolarHBondContact OD1-N 2.86Å; D434-G437 WeakPolarHBondContact OD2-CA 3.03Å; D434-I438 WeakPolarHBondContact O-CG1 3.38Å; D434-I438 PolarHBondContact O-N 2.72Å | ||
| 435 | K | 63.3 | Low | 67.1 | Low | 106 Ų | 106 | 71.1 Ų | 71.1 | 46% | 0.461 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -58.2 | -34.1 | 174.1 | -66.9 | -170 | 177.7 | -164.8 | 0 | 112.4 | D307 S433 L439 | D307-K435 IonicContact OD1-NZ 3.09Å; D307-K435 PolarHBondContact OD1-NZ 2.87Å; D307-K435 IonicContact OD2-NZ 2.78Å; D307-K435 PolarHBondContact OD2-NZ 2.85Å; S433-K435 VanDerWaalsContact C-N 3.33Å; S433-K435 PolarHBondContact O-N 2.67Å; K435-L439 PolarHBondContact O-N 3.45Å |
| 436 | S | 66.6 | Low | 66.5 | Low | 79 Ų | 79 | 68.4 Ų | 68.4 | 55% | 0.552 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -69.1 | -42.8 | -180 | -173.3 | 0 | 0 | 0 | 0 | 112.1 | D434 L439 N440 | D434-S436 PolarHBondContact O-N 2.79Å; S436-L439 PolarHBondContact O-N 3.46Å; S436-N440 WeakPolarHBondContact O-CB 3.26Å; S436-N440 VanDerWaalsContact O-CG 3.25Å; S436-N440 PolarHBondContact O-N 3.29Å; S436-N440 PolarHBondContact O-ND2 2.82Å |
| 437 | G | 68.7 | Low | 66.2 | Low | 14 Ų | 14 | 67 Ų | 67 | 14% | 0.144 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -65.2 | -39.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | D434 L439 N440 R441 | D434-G437 PolarHBondContact O-N 3.04Å; D434-G437 WeakPolarHBondContact OD1-CA 3.46Å; D434-G437 PolarHBondContact OD1-N 2.86Å; D434-G437 WeakPolarHBondContact OD2-CA 3.03Å; G437-L439 PolarHBondContact O-N 2.95Å; G437-N440 PolarHBondContact O-N 3.1Å; G437-R441 WeakPolarHBondContact O-CG 3.39Å; G437-R441 PolarHBondContact O-N 3.14Å |
| 438 | I | 62.1 | Low | 65.8 | Low | 9 Ų | 9 | 73.9 Ų | 73.9 | 5% | 0.046 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -53.2 | -54.1 | 171.2 | -70.8 | 171.6 | 0 | 0 | 0 | 110.3 | L310 K311 D434 N440 R441 I442 | L310-I438 HydrophobicContact CB-CG2 4.28Å; L310-I438 VanDerWaalsContact O-CG2 3.29Å; L310-I438 WeakPolarHBondContact O-CG2 3.38Å; K311-I438 HydrophobicContact CB-CD1 4.38Å; K311-I438 HydrophobicContact CD-CD1 3.88Å; D434-I438 WeakPolarHBondContact O-CG1 3.38Å; D434-I438 PolarHBondContact O-N 2.72Å; I438-N440 VanDerWaalsContact C-N 3.31Å; I438-N440 PolarHBondContact O-N 3.48Å; I438-R441 PolarHBondContact O-N 3.34Å; I438-I442 HydrophobicContact CG2-CD1 4.28Å; I438-I442 WeakPolarHBondContact O-CG1 3.36Å; I438-I442 PolarHBondContact O-N 2.86Å; I438-I442 VanDerWaalsContact O-N 3.17Å |
| 439 | L | 62.6 | Low | 64.6 | Low | 76 Ų | 76 | 74.5 Ų | 74.5 | 40% | 0.398 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -63.2 | -37.5 | -179.1 | -172.3 | 66.9 | 0 | 0 | 0 | 112.3 | K435 S436 G437 I442 K443 | K435-L439 PolarHBondContact O-N 3.45Å; S436-L439 PolarHBondContact O-N 3.46Å; G437-L439 PolarHBondContact O-N 2.95Å; L439-I442 PolarHBondContact O-N 2.86Å; L439-K443 HydrophobicContact CG-CD 4.48Å; L439-K443 WeakPolarHBondContact O-CG 3.41Å; L439-K443 PolarHBondContact O-N 3.03Å |
| 440 | N | 68.2 | Low | 63.3 | Low | 87 Ų | 87 | 73.5 Ų | 73.5 | 47% | 0.465 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -66.5 | -40.4 | 178 | -74.6 | -20.2 | 0 | 0 | 0 | 112.3 | S436 G437 I438 I442 K443 H444 | S436-N440 WeakPolarHBondContact O-CB 3.26Å; S436-N440 VanDerWaalsContact O-CG 3.25Å; S436-N440 PolarHBondContact O-N 3.29Å; S436-N440 PolarHBondContact O-ND2 2.82Å; G437-N440 PolarHBondContact O-N 3.1Å; I438-N440 VanDerWaalsContact C-N 3.31Å; I438-N440 PolarHBondContact O-N 3.48Å; N440-I442 VanDerWaalsContact C-N 3.35Å; N440-K443 PolarHBondContact O-N 2.89Å; N440-H444 WeakPolarHBondContact O-CB 3.39Å; N440-H444 PolarHBondContact O-N 3.44Å |
| 441 | R | 65.7 | Low | 62.4 | Low | 105 Ų | 105 | 75 Ų | 75 | 40% | 0.396 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -61 | -43.3 | 174 | -74.5 | -172.6 | -67.9 | -123.5 | -4 | 111.7 | S314 G437 I438 H444 W445 | S314-R441 PolarHBondContact OG-NE 3.17Å; S314-R441 PolarHBondContact OG-NH2 3.05Å; G437-R441 WeakPolarHBondContact O-CG 3.39Å; G437-R441 PolarHBondContact O-N 3.14Å; I438-R441 PolarHBondContact O-N 3.34Å; R441-H444 PolarHBondContact O-N 3.32Å; R441-W445 PolarHBondContact O-N 3.29Å |
| 442 | I | 59.1 | Low | 61.3 | Low | 13 Ų | 13 | 79.7 Ų | 79.7 | 7% | 0.067 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -57.9 | -53.2 | 175.8 | -64.9 | 166.9 | 0 | 0 | 0 | 110.6 | E313 L317 I438 L439 N440 H444 W445 F446 | E313-I442 HydrophobicContact CB-CD1 4.34Å; E313-I442 HydrophobicContact CG-CD1 4.22Å; E313-I442 HydrophobicContact CG-CG1 4.47Å; L317-I442 VanDerWaalsContact CD1-CA 3.48Å; L317-I442 HydrophobicContact CD1-CB 3.96Å; L317-I442 HydrophobicContact CD1-CG1 3.67Å; L317-I442 HydrophobicContact CD1-CG2 4.17Å; I438-I442 HydrophobicContact CG2-CD1 4.28Å; I438-I442 WeakPolarHBondContact O-CG1 3.36Å; I438-I442 PolarHBondContact O-N 2.86Å; I438-I442 VanDerWaalsContact O-N 3.17Å; L439-I442 PolarHBondContact O-N 2.86Å; N440-I442 VanDerWaalsContact C-N 3.35Å; I442-H444 VanDerWaalsContact C-N 3.32Å; I442-H444 PolarHBondContact O-N 3.42Å; I442-W445 PolarHBondContact O-N 3.27Å; I442-F446 HydrophobicContact CG2-CD2 3.88Å; I442-F446 HydrophobicContact CG2-CE2 3.78Å; I442-F446 WeakPolarHBondContact O-CD2 3.5Å; I442-F446 PolarHBondContact O-N 3.22Å |
| 443 | K | 68.3 | Low | 60.3 | Low | 126 Ų | 126 | 82.4 Ų | 82.4 | 55% | 0.548 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -58 | -42.7 | 178.2 | -72.4 | 174.6 | 178.8 | 176.2 | 0 | 112.5 | L439 N440 F446 S447 | L439-K443 HydrophobicContact CG-CD 4.48Å; L439-K443 WeakPolarHBondContact O-CG 3.41Å; L439-K443 PolarHBondContact O-N 3.03Å; N440-K443 PolarHBondContact O-N 2.89Å; K443-F446 PolarHBondContact O-N 3.27Å; K443-S447 PolarHBondContact O-N 3.48Å |
| 444 | H | 65.9 | Low | 59.6 | Low | 110 Ų | 110 | 84.9 Ų | 84.9 | 51% | 0.509 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -64.1 | -42.8 | -178.7 | -171.8 | 77.6 | 0 | 0 | 0 | 112.3 | N440 R441 I442 S447 R448 | N440-H444 WeakPolarHBondContact O-CB 3.39Å; N440-H444 PolarHBondContact O-N 3.44Å; R441-H444 PolarHBondContact O-N 3.32Å; I442-H444 VanDerWaalsContact C-N 3.32Å; I442-H444 PolarHBondContact O-N 3.42Å; H444-S447 PolarHBondContact O-N 2.94Å; H444-R448 PolarHBondContact O-N 3.27Å; H444-R448 VanDerWaalsContact O-N 3.12Å |
| 445 | W | 59.8 | Low | 58.1 | Low | 36 Ų | 36 | 87.9 Ų | 87.9 | 14% | 0.136 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -61.6 | -48 | 176.8 | -178 | 94 | 0 | 0 | 0 | 112.1 | L317 R441 I442 S447 R448 Q449 | L317-W445 HydrophobicContact CD1-CB 4.05Å; L317-W445 HydrophobicContact CD1-CG 4.35Å; L317-W445 HydrophobicContact CD2-CB 4.26Å; L317-W445 HydrophobicContact CD2-CD2 3.4Å; L317-W445 HydrophobicContact CD2-CE3 3.67Å; L317-W445 HydrophobicContact CD2-CG 3.66Å; L317-W445 HydrophobicContact CD2-CH2 4.4Å; L317-W445 HydrophobicContact CD2-CZ2 4.18Å; L317-W445 HydrophobicContact CD2-CZ3 4.17Å; L317-W445 HydrophobicContact CG-CG 4.4Å; R441-W445 PolarHBondContact O-N 3.29Å; I442-W445 PolarHBondContact O-N 3.27Å; W445-S447 VanDerWaalsContact C-N 3.26Å; W445-S447 PolarHBondContact O-N 3.31Å; W445-R448 PolarHBondContact O-N 2.87Å; W445-Q449 HydrophobicContact CD2-CG 3.97Å; W445-Q449 HydrophobicContact CE3-CG 4.01Å; W445-Q449 HydrophobicContact CH2-CG 3.77Å; W445-Q449 HydrophobicContact CZ2-CG 3.73Å; W445-Q449 HydrophobicContact CZ3-CG 3.91Å; W445-Q449 PolarHBondContact O-N 3.22Å; W445-Q449 VanDerWaalsContact O-N 3.09Å |
| 446 | F | 59.2 | Low | 56.8 | Low | 68 Ų | 68 | 88.8 Ų | 88.8 | 30% | 0.298 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -59.1 | -38.8 | 176.5 | -83.9 | -71.8 | 0 | 0 | 0 | 111.9 | I442 K443 R448 Q449 N450 T468 | I442-F446 HydrophobicContact CG2-CD2 3.88Å; I442-F446 HydrophobicContact CG2-CE2 3.78Å; I442-F446 WeakPolarHBondContact O-CD2 3.5Å; I442-F446 PolarHBondContact O-N 3.22Å; K443-F446 PolarHBondContact O-N 3.27Å; F446-R448 VanDerWaalsContact C-N 3.33Å; F446-R448 PolarHBondContact O-N 3.49Å; F446-Q449 PolarHBondContact O-N 2.99Å; F446-N450 WeakPolarHBondContact O-CB 3.47Å; F446-N450 PolarHBondContact O-N 3.31Å; F446-N450 PolarHBondContact O-ND2 3Å; F446-T468 HydrophobicContact CZ-CG2 4.2Å |
| 447 | S | 65.2 | Low | 55.2 | Low | 76 Ų | 76 | 90 Ų | 90 | 53% | 0.531 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63.1 | -36.5 | 176.2 | -161.5 | 0 | 0 | 0 | 0 | 112.7 | K443 H444 W445 A451 | K443-S447 PolarHBondContact O-N 3.48Å; H444-S447 PolarHBondContact O-N 2.94Å; W445-S447 VanDerWaalsContact C-N 3.26Å; W445-S447 PolarHBondContact O-N 3.31Å; S447-A451 WeakPolarHBondContact O-CB 3.47Å; S447-A451 PolarHBondContact O-N 2.96Å |
| 448 | R | 61.2 | Low | 53.4 | Low | 145 Ų | 145 | 97.9 Ų | 97.9 | 55% | 0.547 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -69.3 | -41.9 | 176 | -69.7 | -178.4 | 89.4 | 153.4 | 0.8 | 112.2 | H444 W445 F446 N450 A451 N452 | H444-R448 PolarHBondContact O-N 3.27Å; H444-R448 VanDerWaalsContact O-N 3.12Å; W445-R448 PolarHBondContact O-N 2.87Å; F446-R448 VanDerWaalsContact C-N 3.33Å; F446-R448 PolarHBondContact O-N 3.49Å; R448-N450 VanDerWaalsContact C-N 3.33Å; R448-N450 PolarHBondContact O-N 2.67Å; R448-A451 PolarHBondContact O-N 2.92Å; R448-N452 PolarHBondContact O-N 3.22Å; R448-N452 VanDerWaalsContact O-N 3.17Å |
| 449 | Q | 49.6 | Very low | 52 | Low | 74 Ų | 74 | 107.3 Ų | 107.3 | 35% | 0.346 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62 | -42.6 | 176.2 | -63.9 | -58.7 | -24.7 | 0 | 0 | 111.4 | W445 F446 N452 | W445-Q449 HydrophobicContact CD2-CG 3.97Å; W445-Q449 HydrophobicContact CE3-CG 4.01Å; W445-Q449 HydrophobicContact CH2-CG 3.77Å; W445-Q449 HydrophobicContact CZ2-CG 3.73Å; W445-Q449 HydrophobicContact CZ3-CG 3.91Å; W445-Q449 PolarHBondContact O-N 3.22Å; W445-Q449 VanDerWaalsContact O-N 3.09Å; F446-Q449 PolarHBondContact O-N 2.99Å; Q449-N452 PolarHBondContact O-N 3.08Å |
| 450 | N | 52.2 | Low | 50.6 | Low | 104 Ų | 104 | 110.1 Ų | 110.1 | 56% | 0.556 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -68.9 | -35.4 | 177 | -70.6 | -21.3 | 0 | 0 | 0 | 112.5 | F446 R448 N452 T453 | F446-N450 WeakPolarHBondContact O-CB 3.47Å; F446-N450 PolarHBondContact O-N 3.31Å; F446-N450 PolarHBondContact O-ND2 3Å; R448-N450 VanDerWaalsContact C-N 3.33Å; R448-N450 PolarHBondContact O-N 2.67Å; N450-N452 VanDerWaalsContact C-N 3.33Å; N450-N452 PolarHBondContact O-N 3.28Å; N450-T453 PolarHBondContact O-N 3.25Å; N450-T453 PolarHBondContact O-OG1 2.91Å |
| 451 | A | 53.7 | Low | 49 | Very low | 63 Ų | 63 | 108.3 Ų | 108.3 | 52% | 0.521 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -64 | -37.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | S447 R448 T453 K454 | S447-A451 WeakPolarHBondContact O-CB 3.47Å; S447-A451 PolarHBondContact O-N 2.96Å; R448-A451 PolarHBondContact O-N 2.92Å; A451-T453 PolarHBondContact O-N 3.2Å; A451-T453 VanDerWaalsContact O-N 3.16Å; A451-K454 PolarHBondContact O-N 2.98Å |
| 452 | N | 45.7 | Very low | 47.4 | Very low | 129 Ų | 129 | 111.7 Ų | 111.7 | 69% | 0.69 | 60% | 0.599 | S | S | * | * | G | 310 helix | trans | -65.4 | -14.3 | 176.8 | -81.9 | -5.4 | 0 | 0 | 0 | 113.8 | R448 Q449 N450 K454 | R448-N452 PolarHBondContact O-N 3.22Å; R448-N452 VanDerWaalsContact O-N 3.17Å; Q449-N452 PolarHBondContact O-N 3.08Å; N450-N452 VanDerWaalsContact C-N 3.33Å; N450-N452 PolarHBondContact O-N 3.28Å; N452-K454 VanDerWaalsContact C-N 3.34Å |
| 453 | T | 41.9 | Very low | 46.1 | Very low | 103 Ų | 103 | 115.4 Ų | 115.4 | 63% | 0.632 | 63% | 0.632 | S | S | * | * | G | 310 helix | trans | -82.3 | -6.3 | 176.5 | 64.6 | 0 | 0 | 0 | 0 | 114.5 | N450 A451 N455 | N450-T453 PolarHBondContact O-N 3.25Å; N450-T453 PolarHBondContact O-OG1 2.91Å; A451-T453 PolarHBondContact O-N 3.2Å; A451-T453 VanDerWaalsContact O-N 3.16Å; T453-N455 VanDerWaalsContact C-N 3.31Å; T453-N455 PolarHBondContact O-N 3.36Å |
| 454 | K | 42.8 | Very low | 44.2 | Very low | 180 Ų | 180 | 118.7 Ų | 118.7 | 78% | 0.783 | 65% | 0.646 | S | S | * | * | G | 310 helix | trans | -81.2 | -0 | -179.6 | -77.9 | -168.7 | 175.8 | -176.8 | 0 | 115.5 | A451 N452 | A451-K454 PolarHBondContact O-N 2.98Å; N452-K454 VanDerWaalsContact C-N 3.34Å |
| 455 | N | 39.4 | Very low | 42.3 | Very low | 142 Ų | 142 | 124.9 Ų | 124.9 | 76% | 0.759 | 67% | 0.665 | S | S | * | * | trans | -116 | 96.1 | 167.3 | -80.7 | -15.2 | 0 | 0 | 0 | 109.6 | T453 C457 | T453-N455 VanDerWaalsContact C-N 3.31Å; T453-N455 PolarHBondContact O-N 3.36Å; N455-C457 PolarHBondContact O-N 3.24Å | ||
| 456 | P | 35.8 | Very low | 40.9 | Very low | 126 Ų | 126 | 128 Ų | 128 | 82% | 0.818 | 69% | 0.688 | S | S | * | * | trans | -77.1 | 19.9 | -179.9 | 31.8 | -33.9 | 0 | 0 | 0 | 113.9 | ||||
| 457 | C | 32.6 | Very low | 39.3 | Very low | 103 Ų | 103 | 129.8 Ų | 129.8 | 70% | 0.696 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -110.7 | 124.4 | 177.5 | -65.1 | 0 | 0 | 0 | 0 | 109.9 | N455 | N455-C457 PolarHBondContact O-N 3.24Š|
| 458 | E | 31.3 | Very low | 37.9 | Very low | 181 Ų | 181 | 128.4 Ų | 128.4 | 85% | 0.846 | 70% | 0.695 | S | S | * | * | trans | 72.8 | 77.7 | 165.2 | -58 | -177.4 | 171.2 | 0 | 0 | 117.3 | ||||
| 459 | F | 30.9 | Very low | 36.3 | Very low | 207 Ų | 207 | 123.7 Ų | 123.7 | 91% | 0.908 | 69% | 0.687 | S | S | * | * | trans | -135.7 | 83.6 | 146.5 | -98.5 | -84.2 | 0 | 0 | 0 | 109.5 | G461 | F459-G461 VanDerWaalsContact C-N 3.35Å; F459-G461 PolarHBondContact O-N 3.15Å | ||
| 460 | S | 34.9 | Very low | 35.4 | Very low | 134 Ų | 134 | 126.6 Ų | 126.6 | 94% | 0.937 | 70% | 0.703 | S | S | * | * | trans | -84.3 | 82.7 | 160.3 | 64.1 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 461 | G | 33.4 | Very low | 34.2 | Very low | 50 Ų | 50 | 128 Ų | 128 | 52% | 0.515 | 71% | 0.71 | S | S | . | * | S | Bend | trans | -162.8 | 126.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | F459 A463 | F459-G461 VanDerWaalsContact C-N 3.35Å; F459-G461 PolarHBondContact O-N 3.15Å; G461-A463 PolarHBondContact O-N 3.29Å |
| 462 | N | 32 | Very low | 32.8 | Very low | 175 Ų | 175 | 129.9 Ų | 129.9 | 94% | 0.936 | 72% | 0.715 | S | S | * | * | trans | -64.1 | 52.8 | -176.1 | -79.1 | -25.4 | 0 | 0 | 0 | 114.1 | K464 | N462-K464 PolarHBondContact O-N 3.49Š| ||
| 463 | A | 32.2 | Very low | 31.9 | Very low | 92 Ų | 92 | 130.6 Ų | 130.6 | 76% | 0.76 | 72% | 0.719 | S | S | * | * | trans | -73 | 95.3 | 168.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | G461 R465 | G461-A463 PolarHBondContact O-N 3.29Å; A463-R465 PolarHBondContact O-N 3.35Å; A463-R465 VanDerWaalsContact O-N 3.14Å | ||
| 464 | K | 27.8 | Very low | 31.1 | Very low | 195 Ų | 195 | 131.4 Ų | 131.4 | 85% | 0.848 | 72% | 0.723 | S | S | * | * | trans | -50.7 | 120.1 | 169.7 | -79.2 | 177.4 | 176.6 | 172.7 | 0 | 108.5 | N462 V466 | N462-K464 PolarHBondContact O-N 3.49Å; K464-V466 PolarHBondContact O-N 2.88Å; K464-V466 VanDerWaalsContact O-N 3.1Å | ||
| 465 | R | 26 | Very low | 30.4 | Very low | 240 Ų | 240 | 129.9 Ų | 129.9 | 91% | 0.906 | 72% | 0.723 | S | S | * | * | trans | -54.2 | 116.1 | 169.8 | -76.4 | -175.3 | 177.5 | -173.8 | -0.6 | 108.4 | A463 P467 | A463-R465 PolarHBondContact O-N 3.35Å; A463-R465 VanDerWaalsContact O-N 3.14Å; R465-P467 VanDerWaalsContact O-CD 3.3Å; R465-P467 WeakPolarHBondContact O-CD 3.37Å | ||
| 466 | V | 30.1 | Very low | 29.8 | Very low | 101 Ų | 101 | 129.2 Ų | 129.2 | 61% | 0.612 | 73% | 0.729 | S | S | * | * | trans | -81.9 | 110.7 | 172.3 | -176.3 | 0 | 0 | 0 | 0 | 107.5 | K464 T468 | K464-V466 PolarHBondContact O-N 2.88Å; K464-V466 VanDerWaalsContact O-N 3.1Å; V466-T468 PolarHBondContact O-N 3.26Å; V466-T468 PolarHBondContact O-OG1 2.85Å | ||
| 467 | P | 27.5 | Very low | 29.4 | Very low | 105 Ų | 105 | 129.2 Ų | 129.2 | 68% | 0.682 | 73% | 0.726 | S | S | * | * | trans | -70.3 | 120 | 177.3 | -6.4 | 23.7 | 0 | 0 | 0 | 108 | R465 | R465-P467 VanDerWaalsContact O-CD 3.3Å; R465-P467 WeakPolarHBondContact O-CD 3.37Å | ||
| 468 | T | 34.2 | Very low | 29.2 | Very low | 47 Ų | 47 | 130.3 Ų | 130.3 | 29% | 0.288 | 73% | 0.725 | S | S | . | * | trans | -107.8 | 126.5 | 178.2 | -42.1 | 0 | 0 | 0 | 0 | 107.6 | F446 V466 I470 | F446-T468 HydrophobicContact CZ-CG2 4.2Å; V466-T468 PolarHBondContact O-N 3.26Å; V466-T468 PolarHBondContact O-OG1 2.85Å; T468-I470 PolarHBondContact O-N 3.25Å | ||
| 469 | A | 29.1 | Very low | 29.1 | Very low | 46 Ų | 46 | 127.5 Ų | 127.5 | 38% | 0.38 | 73% | 0.725 | S | S | . | * | trans | -65.8 | 129.3 | -173.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | P353 | P353-A469 HydrophobicContact CG-CB 4.41Š| ||
| 470 | I | 30 | Very low | 29.1 | Very low | 135 Ų | 135 | 123.6 Ų | 123.6 | 69% | 0.692 | 72% | 0.718 | S | S | * | * | trans | -93.9 | 122.2 | 169.6 | -60.9 | 172.9 | 0 | 0 | 0 | 106.9 | T468 V472 | T468-I470 PolarHBondContact O-N 3.25Å; I470-V472 VanDerWaalsContact C-N 3.31Å; I470-V472 HydrophobicContact CB-CG2 4.34Å; I470-V472 HydrophobicContact CG2-CG2 3.9Å; I470-V472 PolarHBondContact O-N 3.17Å | ||
| 471 | L | 26.9 | Very low | 28.7 | Very low | 133 Ų | 133 | 126.3 Ų | 126.3 | 70% | 0.696 | 72% | 0.717 | S | S | * | * | trans | -70.3 | 92.6 | 167.4 | -143.3 | 119.3 | 0 | 0 | 0 | 107.3 | L309 | L309-L471 HydrophobicContact CD2-CD1 4Š| ||
| 472 | V | 24.9 | Very low | 28.4 | Very low | 103 Ų | 103 | 131.6 Ų | 131.6 | 62% | 0.624 | 73% | 0.732 | S | S | * | * | trans | -81.3 | 119.7 | 175.5 | -177.8 | 0 | 0 | 0 | 0 | 107.8 | I470 V474 | I470-V472 VanDerWaalsContact C-N 3.31Å; I470-V472 HydrophobicContact CB-CG2 4.34Å; I470-V472 HydrophobicContact CG2-CG2 3.9Å; I470-V472 PolarHBondContact O-N 3.17Å; V472-V474 PolarHBondContact O-N 3.49Å; V472-V474 VanDerWaalsContact O-N 3.1Å | ||
| 473 | D | 26.9 | Very low | 28.5 | Very low | 145 Ų | 145 | 129 Ų | 129 | 78% | 0.775 | 73% | 0.725 | S | S | * | * | trans | -67.9 | 103.2 | 166.8 | -139 | -8.5 | 0 | 0 | 0 | 107.4 | D475 | D473-D475 PolarHBondContact O-N 3.15Š| ||
| 474 | V | 25 | Very low | 28.4 | Very low | 120 Ų | 120 | 130.3 Ų | 130.3 | 73% | 0.727 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -82.6 | 78.9 | 174.5 | -173.8 | 0 | 0 | 0 | 0 | 106.5 | V472 | V472-V474 PolarHBondContact O-N 3.49Å; V472-V474 VanDerWaalsContact O-N 3.1Å |
| 475 | D | 27.7 | Very low | 28.3 | Very low | 147 Ų | 147 | 129.3 Ų | 129.3 | 79% | 0.786 | 73% | 0.726 | S | S | * | * | trans | -174.5 | 60.3 | 156.5 | -86.4 | -24.5 | 0 | 0 | 0 | 110 | D473 | D473-D475 PolarHBondContact O-N 3.15Š| ||
| 476 | C | 27.3 | Very low | 28.4 | Very low | 129 Ų | 129 | 122.6 Ų | 122.6 | 87% | 0.872 | 72% | 0.716 | S | S | * | * | trans | -143.8 | 67.5 | 162.8 | -87.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 477 | V | 27.3 | Very low | 28.3 | Very low | 126 Ų | 126 | 126.2 Ų | 126.2 | 76% | 0.764 | 73% | 0.731 | S | S | * | * | trans | -93.7 | 112.9 | 167.4 | -179.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 478 | N | 27.3 | Very low | 28.4 | Very low | 126 Ų | 126 | 129.3 Ų | 129.3 | 67% | 0.674 | 74% | 0.736 | S | S | * | * | trans | 71.3 | 92.3 | 158.2 | -58 | -14.4 | 0 | 0 | 0 | 118.2 | ||||
| 479 | S | 29 | Very low | 28.1 | Very low | 121 Ų | 121 | 132.1 Ų | 132.1 | 85% | 0.846 | 76% | 0.758 | S | S | * | * | trans | -125.2 | 80.4 | 134.6 | -68.7 | 0 | 0 | 0 | 0 | 107.5 | Q481 | S479-Q481 PolarHBondContact O-N 3.18Å; S479-Q481 VanDerWaalsContact O-N 3.08Å | ||
| 480 | T | 31.1 | Very low | 28.1 | Very low | 125 Ų | 125 | 134.6 Ų | 134.6 | 77% | 0.767 | 78% | 0.778 | S | S | * | * | trans | -54.5 | 110.1 | 164.6 | 17.1 | 0 | 0 | 0 | 0 | 108.1 | L482 | T480-L482 PolarHBondContact O-N 3.27Å; T480-L482 VanDerWaalsContact O-N 3.12Å | ||
| 481 | Q | 27 | Very low | 28.2 | Very low | 192 Ų | 192 | 134 Ų | 134 | 90% | 0.897 | 78% | 0.783 | S | S | * | * | trans | -58.7 | 108.4 | 169.9 | -74.4 | 170 | -29.3 | 0 | 0 | 109 | S479 | S479-Q481 PolarHBondContact O-N 3.18Å; S479-Q481 VanDerWaalsContact O-N 3.08Å | ||
| 482 | L | 27.7 | Very low | 28.5 | Very low | 161 Ų | 161 | 134.5 Ų | 134.5 | 84% | 0.843 | 79% | 0.792 | S | S | * | * | trans | -88.9 | 125.9 | 155.4 | -96.6 | 149.4 | 0 | 0 | 0 | 107.1 | T480 S484 | T480-L482 PolarHBondContact O-N 3.27Å; T480-L482 VanDerWaalsContact O-N 3.12Å; L482-S484 PolarHBondContact O-N 3.45Å | ||
| 483 | P | 32.8 | Very low | 28.8 | Very low | 121 Ų | 121 | 137.5 Ų | 137.5 | 79% | 0.786 | 80% | 0.803 | S | S | * | * | trans | -78.9 | 114.9 | -175.2 | 30.4 | -30 | 0 | 0 | 0 | 109.5 | ||||
| 484 | S | 30.3 | Very low | 29.1 | Very low | 118 Ų | 118 | 135.8 Ų | 135.8 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | trans | -101.1 | 115.8 | 167.9 | 55.9 | 0 | 0 | 0 | 0 | 109.3 | L482 | L482-S484 PolarHBondContact O-N 3.45Š| ||
| 485 | E | 27.3 | Very low | 29.3 | Very low | 174 Ų | 174 | 135.8 Ų | 135.8 | 81% | 0.813 | 81% | 0.806 | S | S | * | * | trans | -58.1 | 148.9 | -180 | -64.9 | 175.8 | 143.4 | 0 | 0 | 113.7 | ||||
| 486 | S | 26.5 | Very low | 29.6 | Very low | 99 Ų | 99 | 134.2 Ų | 134.2 | 69% | 0.692 | 81% | 0.806 | S | S | * | * | trans | 4.5 | 107.8 | 156.6 | 55.9 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 487 | L | 28.4 | Very low | 30.3 | Very low | 177 Ų | 177 | 133.9 Ų | 133.9 | 93% | 0.927 | 80% | 0.802 | S | S | * | * | trans | -118.7 | 116 | 153.8 | -87.1 | 160.2 | 0 | 0 | 0 | 109.4 | ||||
| 488 | H | 30.4 | Very low | 30.4 | Very low | 170 Ų | 170 | 133.4 Ų | 133.4 | 79% | 0.787 | 80% | 0.804 | S | S | * | * | trans | -59.7 | 133.4 | -177.9 | -83.2 | -86.6 | 0 | 0 | 0 | 113.3 | ||||
| 489 | S | 26.5 | Very low | 30.7 | Very low | 106 Ų | 106 | 133.1 Ų | 133.1 | 74% | 0.741 | 81% | 0.809 | S | S | * | * | trans | 29.8 | 107.7 | 143.4 | 51.6 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 490 | A | 29.5 | Very low | 30.8 | Very low | 98 Ų | 98 | 133.4 Ų | 133.4 | 81% | 0.81 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -88.2 | 144.5 | 161.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 491 | P | 33.3 | Very low | 31.5 | Very low | 123 Ų | 123 | 132.3 Ų | 132.3 | 80% | 0.799 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -88.2 | 147.7 | -171.6 | 3.4 | 16.7 | 0 | 0 | 0 | 113.3 | ||
| 492 | V | 31.2 | Very low | 31.6 | Very low | 144 Ų | 144 | 130.7 Ų | 130.7 | 87% | 0.873 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 124 | 174.2 | 177.1 | 0 | 0 | 0 | 0 | 110.8 | ||
| 493 | L | 32 | Very low | 31.9 | Very low | 165 Ų | 165 | 128.9 Ų | 128.9 | 86% | 0.864 | 80% | 0.804 | S | S | * | * | trans | -104.4 | 141.2 | 166.3 | -86.5 | 165.2 | 0 | 0 | 0 | 110.2 | ||||
| 494 | P | 33.8 | Very low | 31.7 | Very low | 109 Ų | 109 | 134.2 Ų | 134.2 | 71% | 0.708 | 81% | 0.808 | S | S | * | * | trans | -92.7 | 155.2 | -164 | 36.2 | -33.5 | 0 | 0 | 0 | 114.3 | ||||
| 495 | S | 28.4 | Very low | 31.5 | Very low | 121 Ų | 121 | 135.7 Ų | 135.7 | 85% | 0.846 | 81% | 0.807 | S | S | * | * | trans | -45 | 141.7 | 171.8 | 50.6 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 496 | S | 34.3 | Very low | 31.5 | Very low | 114 Ų | 114 | 133.7 Ų | 133.7 | 80% | 0.797 | 81% | 0.806 | S | S | * | * | trans | -129.1 | 152.7 | 158.7 | 57.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 497 | P | 41.6 | Very low | 31.4 | Very low | 122 Ų | 122 | 135.2 Ų | 135.2 | 79% | 0.792 | 81% | 0.812 | S | S | * | * | trans | -106.9 | 164.6 | -146.1 | 29.9 | -15.1 | 0 | 0 | 0 | 115.3 | ||||
| 498 | S | 29.5 | Very low | 31.5 | Very low | 115 Ų | 115 | 135.5 Ų | 135.5 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | trans | -58.4 | 148.2 | 171.1 | 39.2 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 499 | P | 34.5 | Very low | 31.3 | Very low | 120 Ų | 120 | 136.3 Ų | 136.3 | 78% | 0.779 | 81% | 0.812 | S | S | * | * | trans | -130.6 | 120.4 | 142.3 | 30.5 | -14.2 | 0 | 0 | 0 | 112.7 | ||||
| 500 | C | 29.7 | Very low | 31.1 | Very low | 128 Ų | 128 | 139.6 Ų | 139.6 | 87% | 0.865 | 82% | 0.816 | S | S | * | * | trans | 29.1 | 155.5 | 144.3 | -67.3 | 0 | 0 | 0 | 0 | 125.7 | ||||
| 501 | P | 47.3 | Very low | 31 | Very low | 102 Ų | 102 | 143.6 Ų | 143.6 | 66% | 0.662 | 82% | 0.818 | S | S | * | * | trans | -109.1 | 176.7 | -163.9 | 41.4 | -28.8 | 0 | 0 | 0 | 114.2 | ||||
| 502 | N | 29.4 | Very low | 30.6 | Very low | 157 Ų | 157 | 145.7 Ų | 145.7 | 84% | 0.84 | 82% | 0.817 | S | S | * | * | trans | 113.7 | 104.6 | 157.5 | -64 | -27 | 0 | 0 | 0 | 115.4 | ||||
| 503 | S | 32.3 | Very low | 30.4 | Very low | 124 Ų | 124 | 146.1 Ų | 146.1 | 87% | 0.867 | 81% | 0.813 | S | S | * | * | trans | -145.1 | 118.7 | 141.6 | 56.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 504 | R | 29.4 | Very low | 30 | Very low | 233 Ų | 233 | 143.6 Ų | 143.6 | 88% | 0.879 | 81% | 0.805 | S | S | * | * | trans | -70.5 | 148.4 | -179.5 | -77.5 | 170.2 | 166.1 | 165.6 | -5.5 | 112.1 | ||||
| 505 | N | 25.3 | Very low | 29.8 | Very low | 148 Ų | 148 | 146.3 Ų | 146.3 | 79% | 0.791 | 81% | 0.808 | S | S | * | * | trans | 18.9 | 116.7 | 141.5 | -62.4 | -3.2 | 0 | 0 | 0 | 118.6 | ||||
| 506 | T | 29.1 | Very low | 29.6 | Very low | 132 Ų | 132 | 147.5 Ų | 147.5 | 81% | 0.81 | 81% | 0.805 | S | S | * | * | trans | -130.8 | 107.4 | 144 | 38.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 507 | T | 24.1 | Very low | 29.5 | Very low | 131 Ų | 131 | 150.1 Ų | 150.1 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | trans | -73.5 | 118.1 | 164.2 | -27 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 508 | E | 29.2 | Very low | 28.7 | Very low | 184 Ų | 184 | 149.6 Ų | 149.6 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | trans | -124.7 | 133.5 | 166 | -77.7 | -172.8 | 167.1 | 0 | 0 | 109.3 | ||||
| 509 | Q | 26.2 | Very low | 28.7 | Very low | 186 Ų | 186 | 150.8 Ų | 150.8 | 87% | 0.869 | 81% | 0.806 | S | S | * | * | trans | -83.8 | 159.2 | -161.9 | -71.2 | 173.3 | -40.6 | 0 | 0 | 112.3 | ||||
| 510 | E | 22.3 | Very low | 28.2 | Very low | 175 Ų | 175 | 152.7 Ų | 152.7 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | -46.9 | 126.7 | 170.4 | -65 | 162.1 | 138.2 | 0 | 0 | 113.2 | ||||
| 511 | E | 27.5 | Very low | 28.1 | Very low | 183 Ų | 183 | 151.7 Ų | 151.7 | 86% | 0.855 | 80% | 0.803 | S | S | * | * | trans | -103.8 | 109.2 | 157.3 | -82.9 | -170.3 | 157.7 | 0 | 0 | 109.7 | ||||
| 512 | H | 24.8 | Very low | 27.2 | Very low | 167 Ų | 167 | 151 Ų | 151 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | trans | -62 | 125.8 | 163.4 | -86.8 | -77 | 0 | 0 | 0 | 110.8 | ||||
| 513 | L | 27.5 | Very low | 26.9 | Very low | 152 Ų | 152 | 149.9 Ų | 149.9 | 80% | 0.796 | 80% | 0.8 | S | S | * | * | trans | -127.4 | 95.5 | 160.1 | -94.3 | 155 | 0 | 0 | 0 | 109.1 | ||||
| 514 | T | 23.9 | Very low | 26.8 | Very low | 112 Ų | 112 | 151.1 Ų | 151.1 | 69% | 0.687 | 80% | 0.796 | S | S | * | * | trans | -80.6 | 128 | 165.7 | 42.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 515 | H | 29.4 | Very low | 26.4 | Very low | 166 Ų | 166 | 147.9 Ų | 147.9 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | trans | -135.7 | 96.8 | 159.1 | -103.7 | -54 | 0 | 0 | 0 | 109.7 | ||||
| 516 | D | 24.9 | Very low | 26.6 | Very low | 146 Ų | 146 | 146 Ų | 146 | 78% | 0.781 | 79% | 0.787 | S | S | * | * | trans | -65 | 129.3 | 161 | -80 | -45.2 | 0 | 0 | 0 | 110.1 | ||||
| 517 | H | 30.6 | Very low | 26.4 | Very low | 169 Ų | 169 | 145.4 Ų | 145.4 | 78% | 0.782 | 78% | 0.782 | S | S | * | * | trans | -140.5 | 96.1 | 151.5 | -82 | -54.7 | 0 | 0 | 0 | 109.9 | ||||
| 518 | S | 25.6 | Very low | 26.5 | Very low | 112 Ų | 112 | 147.1 Ų | 147.1 | 78% | 0.783 | 79% | 0.785 | S | S | * | * | trans | -66.3 | 129.3 | 164.1 | 59.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 519 | V | 30.6 | Very low | 26.2 | Very low | 140 Ų | 140 | 146.8 Ų | 146.8 | 85% | 0.848 | 78% | 0.781 | S | S | * | * | trans | -126.1 | 96 | 162.5 | -178.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 520 | N | 23.4 | Very low | 26 | Very low | 160 Ų | 160 | 143.1 Ų | 143.1 | 86% | 0.856 | 78% | 0.776 | S | S | * | * | trans | -80.4 | 133.7 | 158.8 | -86.1 | -23.5 | 0 | 0 | 0 | 108.3 | ||||
| 521 | S | 27 | Very low | 26.2 | Very low | 106 Ų | 106 | 139.9 Ų | 139.9 | 74% | 0.741 | 77% | 0.773 | S | S | * | * | trans | -171.5 | 107.6 | 133.9 | -153.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 522 | S | 27.9 | Very low | 26 | Very low | 87 Ų | 87 | 137.7 Ų | 137.7 | 61% | 0.608 | 77% | 0.771 | S | S | * | * | trans | 41.8 | 109.3 | 133 | 65.5 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 523 | T | 24 | Very low | 26 | Very low | 134 Ų | 134 | 139.1 Ų | 139.1 | 82% | 0.822 | 78% | 0.775 | S | S | * | * | trans | -22.3 | 120.9 | 139.8 | -38.4 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 524 | I | 29.3 | Very low | 25.8 | Very low | 151 Ų | 151 | 138.3 Ų | 138.3 | 77% | 0.774 | 78% | 0.777 | S | S | * | * | trans | -125.1 | 108.5 | 160.9 | -62.3 | 177.5 | 0 | 0 | 0 | 107 | ||||
| 525 | E | 22.2 | Very low | 26 | Very low | 164 Ų | 164 | 137.2 Ų | 137.2 | 77% | 0.766 | 78% | 0.779 | S | S | * | * | trans | -71.1 | 129.4 | 165.4 | -72.2 | -178.7 | 148.9 | 0 | 0 | 109.9 | ||||
| 526 | P | 29 | Very low | 26.1 | Very low | 110 Ų | 110 | 135.3 Ų | 135.3 | 71% | 0.714 | 78% | 0.781 | S | S | * | * | trans | -97.5 | 107.1 | 163.3 | 31.6 | -21.3 | 0 | 0 | 0 | 109.5 | I528 | P526-I528 PolarHBondContact O-N 2.88Š| ||
| 527 | T | 24.1 | Very low | 26.2 | Very low | 118 Ų | 118 | 136.8 Ų | 136.8 | 72% | 0.724 | 79% | 0.788 | S | S | * | * | trans | -64.4 | 104.9 | 168.3 | -42 | 0 | 0 | 0 | 0 | 110 | K529 | T527-K529 PolarHBondContact O-N 2.88Š| ||
| 528 | I | 27.8 | Very low | 26.1 | Very low | 167 Ų | 167 | 136 Ų | 136 | 86% | 0.856 | 79% | 0.79 | S | S | * | * | trans | -88.5 | 95.2 | 172.5 | -57.9 | 178 | 0 | 0 | 0 | 108.4 | P526 | P526-I528 PolarHBondContact O-N 2.88Š| ||
| 529 | K | 21.4 | Very low | 26 | Very low | 177 Ų | 177 | 136.1 Ų | 136.1 | 77% | 0.77 | 79% | 0.791 | S | S | * | * | trans | -99.2 | 140.3 | 164.8 | -92.3 | -175.4 | 178.7 | 177.3 | 0 | 110.4 | T527 | T527-K529 PolarHBondContact O-N 2.88Š| ||
| 530 | S | 23.7 | Very low | 26 | Very low | 109 Ų | 109 | 134.8 Ų | 134.8 | 76% | 0.762 | 79% | 0.785 | S | S | * | * | trans | 95.7 | 118.9 | 143.7 | 78.8 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 531 | S | 26.1 | Very low | 26.3 | Very low | 108 Ų | 108 | 134.8 Ų | 134.8 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | 83.6 | 88.6 | 128.6 | -65.8 | 0 | 0 | 0 | 0 | 118.6 | K533 | S531-K533 PolarHBondContact O-N 2.81Å; S531-K533 VanDerWaalsContact O-N 3.15Å | |||
| 532 | V | 23.2 | Very low | 26.3 | Very low | 136 Ų | 136 | 139.5 Ų | 139.5 | 82% | 0.824 | 79% | 0.793 | S | S | * | * | trans | -37.6 | 109.5 | 143.2 | -179.3 | 0 | 0 | 0 | 0 | 110.4 | T534 | V532-T534 HydrophobicContact CG1-CG2 4.48Š| ||
| 533 | K | 24.8 | Very low | 26.3 | Very low | 197 Ų | 197 | 146.4 Ų | 146.4 | 86% | 0.857 | 81% | 0.805 | S | S | * | * | trans | -125.9 | 105.6 | 156 | -87.4 | -172.6 | 176.6 | 179.8 | 0 | 108.1 | S531 | S531-K533 PolarHBondContact O-N 2.81Å; S531-K533 VanDerWaalsContact O-N 3.15Å | ||
| 534 | T | 24 | Very low | 26.3 | Very low | 136 Ų | 136 | 148.1 Ų | 148.1 | 83% | 0.834 | 81% | 0.809 | S | S | * | * | trans | -60.8 | 127.9 | 165.2 | 41 | 0 | 0 | 0 | 0 | 109.5 | V532 | V532-T534 HydrophobicContact CG1-CG2 4.48Š| ||
| 535 | A | 27.3 | Very low | 26.3 | Very low | 89 Ų | 89 | 145.6 Ų | 145.6 | 74% | 0.736 | 81% | 0.805 | S | S | * | * | trans | -143.2 | 145.6 | 163.7 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 536 | P | 31.3 | Very low | 26.4 | Very low | 125 Ų | 125 | 147.1 Ų | 147.1 | 81% | 0.812 | 81% | 0.812 | S | S | * | * | trans | -83.6 | 142.1 | -156.5 | -3.2 | 22.8 | 0 | 0 | 0 | 112 | D538 | P536-D538 PolarHBondContact O-N 3.32Å; P536-D538 VanDerWaalsContact O-N 3.09Å | ||
| 537 | L | 27.1 | Very low | 26.3 | Very low | 177 Ų | 177 | 149.7 Ų | 149.7 | 93% | 0.927 | 82% | 0.819 | S | S | * | * | trans | -69.4 | 96.3 | 174.7 | -82.4 | 130.5 | 0 | 0 | 0 | 110.4 | ||||
| 538 | D | 27.7 | Very low | 26.4 | Very low | 154 Ų | 154 | 152.8 Ų | 152.8 | 82% | 0.824 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 127.4 | 159.6 | -88.8 | -31.2 | 0 | 0 | 0 | 110.1 | P536 P540 | P536-D538 PolarHBondContact O-N 3.32Å; P536-D538 VanDerWaalsContact O-N 3.09Å; D538-P540 WeakPolarHBondContact O-CD 3.37Å |
| 539 | S | 24.6 | Very low | 26.4 | Very low | 113 Ų | 113 | 150.8 Ų | 150.8 | 79% | 0.79 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 119.3 | -173.8 | -52.9 | 0 | 0 | 0 | 0 | 112.5 | ||
| 540 | P | 31 | Very low | 26.7 | Very low | 113 Ų | 113 | 145 Ų | 145 | 73% | 0.734 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -91.1 | 119.6 | 167.9 | 28 | -17.8 | 0 | 0 | 0 | 110.2 | D538 F542 | D538-P540 WeakPolarHBondContact O-CD 3.37Å; P540-F542 PolarHBondContact O-N 3.28Å; P540-F542 VanDerWaalsContact O-N 3.12Å |
| 541 | N | 27.8 | Very low | 27.4 | Very low | 159 Ų | 159 | 146.1 Ų | 146.1 | 85% | 0.85 | 82% | 0.821 | S | S | * | * | trans | -44.5 | 108.7 | 170.6 | -72.5 | -46.1 | 0 | 0 | 0 | 112.5 | R543 | N541-R543 PolarHBondContact O-N 3.46Å; N541-R543 VanDerWaalsContact O-N 3.08Å | ||
| 542 | F | 28.7 | Very low | 27.6 | Very low | 206 Ų | 206 | 147.3 Ų | 147.3 | 90% | 0.904 | 82% | 0.82 | S | S | * | * | trans | -70 | 99.7 | 167.3 | -108.4 | -97.7 | 0 | 0 | 0 | 109 | P540 | P540-F542 PolarHBondContact O-N 3.28Å; P540-F542 VanDerWaalsContact O-N 3.12Å | ||
| 543 | R | 26.3 | Very low | 28.3 | Very low | 231 Ų | 231 | 146.8 Ų | 146.8 | 87% | 0.872 | 82% | 0.816 | S | S | * | * | trans | -75.4 | 124.2 | 166.2 | -97.7 | -179.3 | 172.5 | 171.1 | -2 | 109.2 | N541 S545 | N541-R543 PolarHBondContact O-N 3.46Å; N541-R543 VanDerWaalsContact O-N 3.08Å; R543-S545 PolarHBondContact O-N 2.95Å; R543-S545 VanDerWaalsContact O-N 3.08Å | ||
| 544 | N | 25.4 | Very low | 28.7 | Very low | 171 Ų | 171 | 143.9 Ų | 143.9 | 91% | 0.914 | 81% | 0.81 | S | S | * | * | trans | -41.5 | 107.2 | 169.3 | -72.2 | -25.4 | 0 | 0 | 0 | 111.9 | ||||
| 545 | S | 28.2 | Very low | 29.3 | Very low | 97 Ų | 97 | 140 Ų | 140 | 68% | 0.678 | 79% | 0.788 | S | S | * | * | trans | -104.4 | 124.8 | 156.5 | 44.9 | 0 | 0 | 0 | 0 | 107.1 | R543 L547 | R543-S545 PolarHBondContact O-N 2.95Å; R543-S545 VanDerWaalsContact O-N 3.08Å; S545-L547 PolarHBondContact O-N 3.28Å | ||
| 546 | Q | 25.8 | Very low | 29.7 | Very low | 197 Ų | 197 | 141.1 Ų | 141.1 | 92% | 0.921 | 78% | 0.78 | S | S | * | * | trans | -56.1 | 102 | 176.8 | -70.1 | 169.8 | -30.1 | 0 | 0 | 108.9 | E548 | Q546-E548 PolarHBondContact O-N 3.01Š| ||
| 547 | L | 27 | Very low | 30 | Very low | 163 Ų | 163 | 140.7 Ų | 140.7 | 85% | 0.853 | 77% | 0.771 | S | S | * | * | trans | -84.8 | 107.1 | 167.5 | -91.2 | 149.2 | 0 | 0 | 0 | 107.1 | S545 S549 | S545-L547 PolarHBondContact O-N 3.28Å; L547-S549 PolarHBondContact O-N 3.44Å | ||
| 548 | E | 26.2 | Very low | 30.5 | Very low | 184 Ų | 184 | 137.1 Ų | 137.1 | 86% | 0.86 | 75% | 0.75 | S | S | * | * | trans | -43.9 | 134.1 | 164.6 | -66.7 | 179.2 | 152.1 | 0 | 0 | 109.8 | Q546 G550 | Q546-E548 PolarHBondContact O-N 3.01Å; E548-G550 PolarHBondContact O-N 2.71Å | ||
| 549 | S | 27.7 | Very low | 31.2 | Very low | 124 Ų | 124 | 130.7 Ų | 130.7 | 87% | 0.867 | 72% | 0.717 | S | S | * | * | trans | -54 | 96.4 | -177.6 | 50.9 | 0 | 0 | 0 | 0 | 111.5 | L547 | L547-S549 PolarHBondContact O-N 3.44Š| ||
| 550 | G | 27.8 | Very low | 32.2 | Very low | 57 Ų | 57 | 131.5 Ų | 131.5 | 59% | 0.588 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 147.6 | 164.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | E548 | E548-G550 PolarHBondContact O-N 2.71Š|
| 551 | P | 37.5 | Very low | 32.9 | Very low | 131 Ų | 131 | 128.9 Ų | 128.9 | 85% | 0.851 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 138.5 | -170.8 | 27.9 | -32 | 0 | 0 | 0 | 111.3 | ||
| 552 | N | 29.9 | Very low | 33.9 | Very low | 134 Ų | 134 | 121.7 Ų | 121.7 | 72% | 0.717 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -50.6 | 135.7 | -174.2 | -103.5 | -25.8 | 0 | 0 | 0 | 113.9 | D554 S555 | N552-D554 PolarHBondContact O-N 2.84Å; N552-D554 VanDerWaalsContact O-N 3.13Å; N552-S555 PolarHBondContact O-N 3.41Å |
| 553 | V | 38.9 | Very low | 34.7 | Very low | 125 Ų | 125 | 113.6 Ų | 113.6 | 76% | 0.758 | 64% | 0.635 | S | S | * | * | G | 310 helix | trans | -64.8 | -15.9 | -170.2 | 176.7 | 0 | 0 | 0 | 0 | 113.9 | S555 | V553-S555 PolarHBondContact O-N 2.85Š|
| 554 | D | 32.7 | Very low | 36 | Very low | 136 Ų | 136 | 107.6 Ų | 107.6 | 73% | 0.727 | 62% | 0.617 | S | S | * | * | G | 310 helix | trans | -72.3 | -11.4 | -178.7 | -65.2 | -32.4 | 0 | 0 | 0 | 114.2 | N552 | N552-D554 PolarHBondContact O-N 2.84Å; N552-D554 VanDerWaalsContact O-N 3.13Å |
| 555 | S | 36.6 | Very low | 37.4 | Very low | 53 Ų | 53 | 108.2 Ų | 108.2 | 37% | 0.371 | 61% | 0.611 | S | S | . | * | G | 310 helix | trans | -83 | -15.4 | -179.3 | -63.8 | 0 | 0 | 0 | 0 | 114.7 | N552 V553 V559 | N552-S555 PolarHBondContact O-N 3.41Å; V553-S555 PolarHBondContact O-N 2.85Å; S555-V559 WeakPolarHBondContact O-CG2 3.31Å |
| 556 | M | 35.5 | Very low | 38.7 | Very low | 113 Ų | 113 | 105.5 Ų | 105.5 | 56% | 0.557 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -81.6 | -31.3 | -170.6 | -142.2 | 79.7 | 169.6 | 0 | 0 | 113.3 | M558 V559 | M556-M558 PolarHBondContact O-N 3.46Å; M556-V559 PolarHBondContact O-N 3.47Å |
| 557 | D | 37.8 | Very low | 40.3 | Very low | 117 Ų | 117 | 99 Ų | 99 | 63% | 0.626 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.6 | -16.9 | -172.5 | -83.7 | -9.8 | 0 | 0 | 0 | 114 | ||
| 558 | M | 38.3 | Very low | 41.7 | Very low | 101 Ų | 101 | 92.6 Ų | 92.6 | 50% | 0.498 | 53% | 0.532 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | -9.4 | 176 | -84 | -174.1 | -83.6 | 0 | 0 | 114.3 | M556 | M556-M558 PolarHBondContact O-N 3.46Š|
| 559 | V | 41.2 | Very low | 43.5 | Very low | 19 Ų | 19 | 86.8 Ų | 86.8 | 12% | 0.115 | 51% | 0.512 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -29.1 | -169.7 | -174.3 | 0 | 0 | 0 | 0 | 113.1 | S555 M556 G561 L562 T563 | S555-V559 WeakPolarHBondContact O-CG2 3.31Å; M556-V559 PolarHBondContact O-N 3.47Å; V559-G561 VanDerWaalsContact C-N 3.25Å; V559-G561 PolarHBondContact O-N 3.07Å; V559-L562 WeakPolarHBondContact O-CA 3.22Å; V559-L562 WeakPolarHBondContact O-CB 3.3Å; V559-L562 PolarHBondContact O-N 2.96Å; V559-T563 HydrophobicContact CG1-CG2 4.06Å; V559-T563 PolarHBondContact O-N 2.96Å |
| 560 | D | 45 | Very low | 45 | Very low | 130 Ų | 130 | 86.5 Ų | 86.5 | 70% | 0.695 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -28.3 | -175.3 | -91.4 | -3.2 | 0 | 0 | 0 | 113.5 | L562 T563 | D560-L562 VanDerWaalsContact C-N 3.28Å; D560-L562 PolarHBondContact O-N 3.43Å; D560-T563 PolarHBondContact O-OG1 3.03Å; D560-T563 VanDerWaalsContact O-OG1 3.1Å |
| 561 | G | 47.8 | Very low | 46.6 | Very low | 59 Ų | 59 | 84.3 Ų | 84.3 | 61% | 0.608 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -16.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 114 | V559 K637 | V559-G561 VanDerWaalsContact C-N 3.25Å; V559-G561 PolarHBondContact O-N 3.07Å; G561-K637 PolarHBondContact O-NZ 3.12Å; G561-K637 VanDerWaalsContact O-NZ 3.12Å |
| 562 | L | 47 | Very low | 47.5 | Very low | 8 Ų | 8 | 85.3 Ų | 85.3 | 4% | 0.042 | 46% | 0.464 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91 | -21.6 | -177.3 | -62 | 172.9 | 0 | 0 | 0 | 112.8 | V559 D560 E564 I592 K637 Q640 L641 N644 | V559-L562 WeakPolarHBondContact O-CA 3.22Å; V559-L562 WeakPolarHBondContact O-CB 3.3Å; V559-L562 PolarHBondContact O-N 2.96Å; D560-L562 VanDerWaalsContact C-N 3.28Å; D560-L562 PolarHBondContact O-N 3.43Å; L562-E564 VanDerWaalsContact C-N 3.29Å; L562-E564 PolarHBondContact O-N 2.81Å; L562-I592 VanDerWaalsContact O-CG2 3.27Å; L562-I592 WeakPolarHBondContact O-CG2 3.48Å; L562-K637 WeakPolarHBondContact O-CE 3.49Å; L562-K637 PolarHBondContact O-NZ 3.12Å; L562-Q640 HydrophobicContact CD2-CB 4.18Å; L562-L641 HydrophobicContact CB-CD2 4.45Å; L562-L641 HydrophobicContact CD1-CD2 3.73Å; L562-L641 HydrophobicContact CD2-CD2 4.4Å; L562-L641 HydrophobicContact CG-CD2 4.41Å; L562-N644 WeakPolarHBondContact CD1-ND2 3.47Å |
| 563 | T | 47.1 | Very low | 48.8 | Very low | 36 Ų | 36 | 85.3 Ų | 85.3 | 22% | 0.221 | 46% | 0.46 | C | S | . | . | trans | -84.8 | 20.8 | -168.8 | 47.6 | 0 | 0 | 0 | 0 | 116.1 | V559 D560 K565 H595 | V559-T563 HydrophobicContact CG1-CG2 4.06Å; V559-T563 PolarHBondContact O-N 2.96Å; D560-T563 PolarHBondContact O-OG1 3.03Å; D560-T563 VanDerWaalsContact O-OG1 3.1Å; T563-K565 PolarHBondContact O-N 2.97Å; T563-H595 WeakPolarHBondContact CG2-CE1 3.45Å | ||
| 564 | E | 52.8 | Low | 49.8 | Very low | 105 Ų | 105 | 80.7 Ų | 80.7 | 49% | 0.491 | 43% | 0.43 | S | S | . | . | P | Polyproline II helix | trans | -55.1 | 125.2 | 172.4 | -78.2 | -172.1 | 153.3 | 0 | 0 | 110.5 | N119 L562 | N119-E564 PolarHBondContact ND2-OE1 3.25Å; L562-E564 VanDerWaalsContact C-N 3.29Å; L562-E564 PolarHBondContact O-N 2.81Å |
| 565 | K | 54.1 | Low | 50.9 | Low | 183 Ų | 183 | 77.3 Ų | 77.3 | 80% | 0.796 | 41% | 0.413 | S | S | * | . | P | Polyproline II helix | trans | -67.9 | 134.7 | 173.6 | -76.7 | -175 | 176.9 | -178.2 | 0 | 109.4 | T563 D567 | T563-K565 PolarHBondContact O-N 2.97Å; K565-D567 PolarHBondContact O-N 3.12Å |
| 566 | F | 57 | Low | 51.9 | Low | 40 Ų | 40 | 80.4 Ų | 80.4 | 18% | 0.175 | 43% | 0.434 | C | S | . | . | P | Polyproline II helix | trans | -59 | 132.1 | 167.8 | 179.7 | -122.4 | 0 | 0 | 0 | 111.7 | L571 L585 D586 Y589 | F566-L571 HydrophobicContact CE1-CD1 4.06Å; F566-L571 HydrophobicContact CE2-CD1 4.17Å; F566-L571 HydrophobicContact CZ-CD1 3.31Å; F566-L585 HydrophobicContact CE1-CB 3.98Å; F566-L585 HydrophobicContact CE2-CB 3.64Å; F566-L585 HydrophobicContact CE2-CD1 4.07Å; F566-L585 HydrophobicContact CE2-CG 4.33Å; F566-L585 HydrophobicContact CZ-CB 3.28Å; F566-L585 HydrophobicContact CZ-CD1 3.95Å; F566-L585 HydrophobicContact CZ-CG 4.22Å; F566-D586 HydrophobicContact CE1-CB 4.31Å; F566-Y589 HydrophobicContact CB-CD1 4.21Å; F566-Y589 HydrophobicContact CB-CD2 3.62Å; F566-Y589 HydrophobicContact CB-CE2 4.43Å; F566-Y589 HydrophobicContact CB-CG 3.51Å; F566-Y589 AromaticContact CD2-CD2 3.33Å; F566-Y589 HydrophobicContact CD2-CD2 3.33Å; F566-Y589 AromaticContact CD2-CE2 3.5Å; F566-Y589 HydrophobicContact CD2-CE2 3.5Å; F566-Y589 HydrophobicContact CD2-CG 4.12Å; F566-Y589 HydrophobicContact CE2-CD2 4.05Å; F566-Y589 HydrophobicContact CE2-CE2 4.03Å; F566-Y589 AromaticContact CG-CD2 3.63Å; F566-Y589 HydrophobicContact CG-CD2 3.63Å; F566-Y589 HydrophobicContact CG-CE2 4.26Å; F566-Y589 HydrophobicContact CG-CG 4.06Å |
| 567 | D | 58.5 | Low | 52.7 | Low | 62 Ų | 62 | 78 Ų | 78 | 33% | 0.332 | 43% | 0.429 | S | S | . | . | trans | -106.6 | 81.9 | 178.5 | -175.3 | 1.1 | 0 | 0 | 0 | 108.8 | R295 K565 S569 | R295-D567 IonicContact CZ-OD2 3.09Å; R295-D567 IonicContact NH1-OD2 2.69Å; R295-D567 PolarHBondContact NH1-OD2 3.14Å; K565-D567 PolarHBondContact O-N 3.12Å; D567-S569 PolarHBondContact O-N 2.8Å; D567-S569 VanDerWaalsContact O-N 3.12Å; D567-S569 VanDerWaalsContact OD1-CB 3.32Å; D567-S569 WeakPolarHBondContact OD1-CB 3.38Å; D567-S569 PolarHBondContact OD1-N 3.48Å; D567-S569 PolarHBondContact OD1-OG 2.97Å | ||
| 568 | G | 56.5 | Low | 54.1 | Low | 27 Ų | 27 | 72.6 Ų | 72.6 | 28% | 0.278 | 40% | 0.4 | S | S | . | . | G | 310 helix | trans | -69.8 | 1.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | R570 L571 | G568-R570 PolarHBondContact O-N 3.4Å; G568-L571 WeakPolarHBondContact O-CB 3.22Å; G568-L571 PolarHBondContact O-N 3.32Å |
| 569 | S | 64.3 | Low | 55.7 | Low | 63 Ų | 63 | 72.2 Ų | 72.2 | 44% | 0.441 | 40% | 0.4 | S | S | . | . | G | 310 helix | trans | -59.6 | -30.9 | -177.5 | 61.8 | 0 | 0 | 0 | 0 | 113.2 | D567 L571 L572 | D567-S569 PolarHBondContact O-N 2.8Å; D567-S569 VanDerWaalsContact O-N 3.12Å; D567-S569 VanDerWaalsContact OD1-CB 3.32Å; D567-S569 WeakPolarHBondContact OD1-CB 3.38Å; D567-S569 PolarHBondContact OD1-N 3.48Å; D567-S569 PolarHBondContact OD1-OG 2.97Å; S569-L571 VanDerWaalsContact C-N 3.27Å; S569-L571 PolarHBondContact O-N 3.15Å; S569-L572 WeakPolarHBondContact O-CB 3.41Å; S569-L572 PolarHBondContact O-N 2.98Å |
| 570 | R | 59.1 | Low | 57.7 | Low | 117 Ų | 117 | 75.1 Ų | 75.1 | 44% | 0.442 | 41% | 0.414 | S | S | . | . | G | 310 helix | trans | -70.1 | -22.4 | 175.2 | -66.1 | -179.3 | 178.4 | 169.6 | 1.9 | 113.7 | G568 E630 | G568-R570 PolarHBondContact O-N 3.4Å; R570-E630 IonicContact NH1-OE1 3.42Å; R570-E630 PolarHBondContact NH1-OE1 3.34Å |
| 571 | L | 60.2 | Low | 59.6 | Low | 11 Ų | 11 | 69 Ų | 69 | 6% | 0.058 | 38% | 0.381 | C | S | . | . | G | 310 helix | trans | -87.4 | -11.8 | -179 | -59.7 | 169 | 0 | 0 | 0 | 112 | F566 G568 S569 E573 L574 V582 L585 I626 L627 E630 | F566-L571 HydrophobicContact CE1-CD1 4.06Å; F566-L571 HydrophobicContact CE2-CD1 4.17Å; F566-L571 HydrophobicContact CZ-CD1 3.31Å; G568-L571 WeakPolarHBondContact O-CB 3.22Å; G568-L571 PolarHBondContact O-N 3.32Å; S569-L571 VanDerWaalsContact C-N 3.27Å; S569-L571 PolarHBondContact O-N 3.15Å; L571-E573 PolarHBondContact O-N 3.49Å; L571-L574 HydrophobicContact CB-CD1 4.11Å; L571-L574 HydrophobicContact CD2-CD1 3.28Å; L571-L574 HydrophobicContact CD2-CG 4.39Å; L571-L574 HydrophobicContact CG-CD1 4.28Å; L571-L574 WeakPolarHBondContact O-CB 3.39Å; L571-L574 PolarHBondContact O-N 3.39Å; L571-L574 VanDerWaalsContact O-N 3.09Å; L571-V582 HydrophobicContact CB-CG1 4.36Å; L571-V582 HydrophobicContact CB-CG2 3.96Å; L571-V582 HydrophobicContact CD1-CB 4.45Å; L571-V582 HydrophobicContact CD1-CG1 4.12Å; L571-V582 HydrophobicContact CD1-CG2 4.08Å; L571-V582 HydrophobicContact CD2-CG2 4.36Å; L571-V582 HydrophobicContact CG-CG2 4.35Å; L571-L585 HydrophobicContact CD1-CD1 4.05Å; L571-I626 HydrophobicContact CD2-CG2 4.23Å; L571-L627 HydrophobicContact CD2-CD2 4.46Å; L571-E630 HydrophobicContact CD2-CG 4.35Å |
| 572 | L | 56.4 | Low | 61.3 | Low | 152 Ų | 152 | 68.1 Ų | 68.1 | 80% | 0.796 | 36% | 0.364 | S | S | * | . | G | 310 helix | trans | -63.9 | -16.6 | 171.7 | -63.6 | 174.1 | 0 | 0 | 0 | 112.7 | S569 L574 | S569-L572 WeakPolarHBondContact O-CB 3.41Å; S569-L572 PolarHBondContact O-N 2.98Å; L572-L574 VanDerWaalsContact C-N 3.32Å |
| 573 | E | 58.7 | Low | 63.1 | Low | 134 Ų | 134 | 73.6 Ų | 73.6 | 63% | 0.626 | 39% | 0.389 | S | S | * | . | G | 310 helix | trans | -83.7 | -2.7 | 175 | -66.4 | -171.1 | -166.2 | 0 | 0 | 113.6 | L571 K622 | L571-E573 PolarHBondContact O-N 3.49Å; E573-K622 IonicContact OE2-NZ 3.13Å; E573-K622 PolarHBondContact OE2-NZ 3.45Å; E573-K622 VanDerWaalsContact OE2-NZ 3.09Å |
| 574 | L | 60.1 | Low | 65.3 | Low | 28 Ų | 28 | 72 Ų | 72 | 15% | 0.147 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -94.5 | 145.5 | -173.1 | -61.2 | 176.5 | 0 | 0 | 0 | 113.3 | L571 L572 V582 I626 L627 | L571-L574 HydrophobicContact CB-CD1 4.11Å; L571-L574 HydrophobicContact CD2-CD1 3.28Å; L571-L574 HydrophobicContact CD2-CG 4.39Å; L571-L574 HydrophobicContact CG-CD1 4.28Å; L571-L574 WeakPolarHBondContact O-CB 3.39Å; L571-L574 PolarHBondContact O-N 3.39Å; L571-L574 VanDerWaalsContact O-N 3.09Å; L572-L574 VanDerWaalsContact C-N 3.32Å; L574-V582 HydrophobicContact CD1-CG2 4.4Å; L574-I626 HydrophobicContact CD2-CB 4.37Å; L574-I626 HydrophobicContact CD2-CD1 4.33Å; L574-I626 HydrophobicContact CD2-CG2 4.4Å; L574-L627 HydrophobicContact CD1-CD2 3.6Å; L574-L627 HydrophobicContact CD1-CG 4.17Å |
| 575 | D | 55.2 | Low | 67.1 | Low | 66 Ų | 66 | 67 Ų | 67 | 35% | 0.353 | 36% | 0.356 | S | S | . | . | trans | -72.8 | 157 | 176.8 | 18.3 | 15.1 | 0 | 0 | 0 | 112.7 | S577 S578 N620 S623 | D575-S577 PolarHBondContact O-N 3.28Å; D575-S578 WeakPolarHBondContact O-CB 3.45Å; D575-S578 PolarHBondContact O-N 2.79Å; D575-N620 PolarHBondContact OD2-ND2 3.12Å; D575-S623 PolarHBondContact OD1-OG 2.78Å | ||
| 576 | S | 56.8 | Low | 68.7 | Low | 118 Ų | 118 | 62.3 Ų | 62.3 | 83% | 0.825 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | -56 | -21.2 | -171.2 | 54.2 | 0 | 0 | 0 | 0 | 116 | S578 N579 | S576-S578 PolarHBondContact O-N 3.49Å; S576-N579 PolarHBondContact O-N 3.36Å |
| 577 | S | 53.8 | Low | 70.3 | Confident | 63 Ų | 63 | 65.3 Ų | 65.3 | 44% | 0.441 | 35% | 0.352 | S | S | . | . | G | 310 helix | trans | -63.2 | -23.2 | 173.3 | 47.3 | 0 | 0 | 0 | 0 | 113 | D575 N579 D618 | D575-S577 PolarHBondContact O-N 3.28Å; S577-N579 VanDerWaalsContact C-N 3.33Å; S577-N579 PolarHBondContact O-N 3.33Å; S577-D618 PolarHBondContact OG-OD2 2.87Å |
| 578 | S | 65.4 | Low | 71.9 | Confident | 3 Ų | 3 | 62.3 Ų | 62.3 | 2% | 0.021 | 34% | 0.337 | C | S | . | . | G | 310 helix | trans | -83.3 | -2.1 | -176.3 | -65.2 | 0 | 0 | 0 | 0 | 114.5 | D575 S576 I580 V581 V582 D618 | D575-S578 WeakPolarHBondContact O-CB 3.45Å; D575-S578 PolarHBondContact O-N 2.79Å; S576-S578 PolarHBondContact O-N 3.49Å; S578-I580 VanDerWaalsContact C-N 3.28Å; S578-I580 PolarHBondContact O-N 2.85Å; S578-V581 PolarHBondContact O-N 3.35Å; S578-V581 VanDerWaalsContact O-N 3.11Å; S578-V582 WeakPolarHBondContact O-CG2 3.34Å; S578-V582 PolarHBondContact O-N 3.16Å; S578-D618 PolarHBondContact OG-OD2 3.27Å |
| 579 | N | 72.4 | Confident | 73.5 | Confident | 92 Ų | 92 | 62.2 Ų | 62.2 | 49% | 0.492 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -58.8 | -38 | -167.3 | -159.7 | -5.1 | 0 | 0 | 0 | 113 | S576 S577 V581 V582 E583 | S576-N579 PolarHBondContact O-N 3.36Å; S577-N579 VanDerWaalsContact C-N 3.33Å; S577-N579 PolarHBondContact O-N 3.33Å; N579-V581 PolarHBondContact O-N 2.8Å; N579-V582 PolarHBondContact O-N 2.59Å; N579-E583 WeakPolarHBondContact O-CG 3.29Å; N579-E583 PolarHBondContact O-N 2.68Å |
| 580 | I | 83.5 | Confident | 74.6 | Confident | 81 Ų | 81 | 64.5 Ų | 64.5 | 42% | 0.415 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -60.2 | -44 | 179.3 | -62.5 | 167.4 | 0 | 0 | 0 | 111.5 | S578 F584 E614 | S578-I580 VanDerWaalsContact C-N 3.28Å; S578-I580 PolarHBondContact O-N 2.85Å; I580-F584 WeakPolarHBondContact O-CB 3.4Å; I580-F584 PolarHBondContact O-N 2.84Å; I580-E614 HydrophobicContact CD1-CG 4.18Å |
| 581 | V | 85.7 | Confident | 76.1 | Confident | 1 Ų | 1 | 59.7 Ų | 59.7 | 1% | 0.006 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -70.7 | -38.4 | -178.7 | -175 | 0 | 0 | 0 | 0 | 110.9 | S578 N579 F584 L585 C611 E614 L627 L631 | S578-V581 PolarHBondContact O-N 3.35Å; S578-V581 VanDerWaalsContact O-N 3.11Å; N579-V581 PolarHBondContact O-N 2.8Å; V581-F584 PolarHBondContact O-N 2.69Å; V581-L585 HydrophobicContact CG1-CD1 4.1Å; V581-L585 HydrophobicContact CG1-CG 4.41Å; V581-L585 VanDerWaalsContact O-CG 3.31Å; V581-L585 WeakPolarHBondContact O-CG 3.44Å; V581-L585 PolarHBondContact O-N 2.81Å; V581-C611 HydrophobicContact CG1-CB 4.49Å; V581-C611 HydrophobicContact CG2-CB 4.14Å; V581-E614 HydrophobicContact CG2-CB 4.22Å; V581-L627 HydrophobicContact CB-CD2 3.85Å; V581-L627 HydrophobicContact CG1-CD2 3.78Å; V581-L627 HydrophobicContact CG2-CD2 4.32Å; V581-L631 HydrophobicContact CG1-CD1 4.21Å; V581-L631 HydrophobicContact CG1-CD2 3.97Å; V581-L631 HydrophobicContact CG1-CG 4.03Å |
| 582 | V | 82.8 | Confident | 77.3 | Confident | 40 Ų | 40 | 59.1 Ų | 59.1 | 24% | 0.242 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64.5 | -46.7 | 177.5 | -179.1 | 0 | 0 | 0 | 0 | 110.8 | L571 L574 S578 N579 F584 L585 D586 | L571-V582 HydrophobicContact CB-CG1 4.36Å; L571-V582 HydrophobicContact CB-CG2 3.96Å; L571-V582 HydrophobicContact CD1-CB 4.45Å; L571-V582 HydrophobicContact CD1-CG1 4.12Å; L571-V582 HydrophobicContact CD1-CG2 4.08Å; L571-V582 HydrophobicContact CD2-CG2 4.36Å; L571-V582 HydrophobicContact CG-CG2 4.35Å; L574-V582 HydrophobicContact CD1-CG2 4.4Å; S578-V582 WeakPolarHBondContact O-CG2 3.34Å; S578-V582 PolarHBondContact O-N 3.16Å; N579-V582 PolarHBondContact O-N 2.59Å; V582-F584 VanDerWaalsContact C-N 3.33Å; V582-F584 PolarHBondContact O-N 3.48Å; V582-L585 PolarHBondContact O-N 3.07Å; V582-D586 WeakPolarHBondContact O-CB 3.4Å; V582-D586 PolarHBondContact O-N 2.91Å |
| 583 | E | 85.2 | Confident | 78.6 | Confident | 123 Ų | 123 | 54.4 Ų | 54.4 | 58% | 0.575 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -62.1 | -40.5 | 176.2 | -75.4 | -173.3 | 171.4 | 0 | 0 | 112.2 | N579 K587 | N579-E583 WeakPolarHBondContact O-CG 3.29Å; N579-E583 PolarHBondContact O-N 2.68Å; E583-K587 WeakPolarHBondContact O-CB 3.32Å; E583-K587 PolarHBondContact O-N 3.11Å |
| 584 | F | 92.7 | Very high | 79.8 | Confident | 3 Ų | 3 | 54.2 Ų | 54.2 | 1% | 0.013 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58 | -53.1 | 173.9 | 164.1 | -103.8 | 0 | 0 | 0 | 111.8 | I580 V581 V582 K587 F588 Y603 F604 E607 F608 C611 L631 | I580-F584 WeakPolarHBondContact O-CB 3.4Å; I580-F584 PolarHBondContact O-N 2.84Å; V581-F584 PolarHBondContact O-N 2.69Å; V582-F584 VanDerWaalsContact C-N 3.33Å; V582-F584 PolarHBondContact O-N 3.48Å; F584-K587 PolarHBondContact O-N 3.27Å; F584-F588 WeakPolarHBondContact O-CB 3.33Å; F584-F588 PolarHBondContact O-N 3.23Å; F584-Y603 HydrophobicContact CD2-CD1 4.39Å; F584-Y603 AromaticContact CD2-CE1 3.71Å; F584-Y603 HydrophobicContact CD2-CE1 3.71Å; F584-Y603 HydrophobicContact CE2-CD1 4.34Å; F584-Y603 HydrophobicContact CE2-CE1 4.1Å; F584-F604 AromaticContact CZ-CD2 3.71Å; F584-F604 HydrophobicContact CZ-CD2 3.71Å; F584-F604 HydrophobicContact CZ-CE2 4.11Å; F584-F604 HydrophobicContact CZ-CG 4.46Å; F584-E607 HydrophobicContact CD2-CB 3.47Å; F584-E607 VanDerWaalsContact CD2-CB 3.47Å; F584-E607 HydrophobicContact CD2-CG 4.32Å; F584-E607 HydrophobicContact CE2-CB 3.67Å; F584-F608 HydrophobicContact CE1-CD2 4.07Å; F584-F608 HydrophobicContact CZ-CB 4.12Å; F584-F608 HydrophobicContact CZ-CD2 4.02Å; F584-C611 WeakPolarHBondContact CB-SG 3.33Å; F584-C611 HydrophobicContact CD1-CB 4.17Å; F584-C611 HydrophobicContact CG-CB 4.41Å; F584-C611 WeakPolarHBondContact CG-SG 3.4Å; F584-L631 HydrophobicContact CD1-CD2 4.1Å; F584-L631 HydrophobicContact CE1-CD2 3.87Å |
| 585 | L | 90.5 | Very high | 80.9 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.6 | -44.9 | -177.9 | -68.8 | 170 | 0 | 0 | 0 | 111.2 | F566 L571 V581 V582 K587 F588 Y589 E630 L631 A634 | F566-L585 HydrophobicContact CE1-CB 3.98Å; F566-L585 HydrophobicContact CE2-CB 3.64Å; F566-L585 HydrophobicContact CE2-CD1 4.07Å; F566-L585 HydrophobicContact CE2-CG 4.33Å; F566-L585 HydrophobicContact CZ-CB 3.28Å; F566-L585 HydrophobicContact CZ-CD1 3.95Å; F566-L585 HydrophobicContact CZ-CG 4.22Å; L571-L585 HydrophobicContact CD1-CD1 4.05Å; V581-L585 HydrophobicContact CG1-CD1 4.1Å; V581-L585 HydrophobicContact CG1-CG 4.41Å; V581-L585 VanDerWaalsContact O-CG 3.31Å; V581-L585 WeakPolarHBondContact O-CG 3.44Å; V581-L585 PolarHBondContact O-N 2.81Å; V582-L585 PolarHBondContact O-N 3.07Å; L585-K587 VanDerWaalsContact C-N 3.35Å; L585-K587 PolarHBondContact O-N 2.97Å; L585-F588 PolarHBondContact O-N 3.07Å; L585-Y589 HydrophobicContact CD2-CE2 4.31Å; L585-Y589 VanDerWaalsContact O-CD2 3.29Å; L585-Y589 WeakPolarHBondContact O-CD2 3.41Å; L585-Y589 PolarHBondContact O-N 3.16Å; L585-E630 HydrophobicContact CD1-CB 3.79Å; L585-L631 HydrophobicContact CD2-CD2 4.5Å; L585-A634 HydrophobicContact CD2-CB 3.67Å |
| 586 | D | 87.3 | Confident | 82.4 | Confident | 84 Ų | 84 | 59.6 Ų | 59.6 | 45% | 0.449 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -57.1 | -49.3 | 178.1 | -175.1 | 67.6 | 0 | 0 | 0 | 111.1 | F566 V582 F588 K590 | F566-D586 HydrophobicContact CE1-CB 4.31Å; V582-D586 WeakPolarHBondContact O-CB 3.4Å; V582-D586 PolarHBondContact O-N 2.91Å; D586-F588 PolarHBondContact O-N 3.06Å; D586-K590 WeakPolarHBondContact O-CB 3.44Å; D586-K590 PolarHBondContact O-N 2.99Å |
| 587 | K | 90.6 | Very high | 83.9 | Confident | 103 Ų | 103 | 55.3 Ų | 55.3 | 45% | 0.448 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -65.9 | -41.1 | 179.6 | -177.8 | 164.6 | 161.2 | -163.9 | 0 | 112.5 | E583 F584 L585 K590 L591 Y603 | E583-K587 WeakPolarHBondContact O-CB 3.32Å; E583-K587 PolarHBondContact O-N 3.11Å; F584-K587 PolarHBondContact O-N 3.27Å; L585-K587 VanDerWaalsContact C-N 3.35Å; L585-K587 PolarHBondContact O-N 2.97Å; K587-K590 PolarHBondContact O-N 3.06Å; K587-L591 HydrophobicContact CG-CD1 4.45Å; K587-L591 WeakPolarHBondContact O-CG 3.39Å; K587-L591 PolarHBondContact O-N 3.17Å; K587-Y603 HydrophobicContact CB-CE1 3.77Å; K587-Y603 HydrophobicContact CD-CD2 4.5Å; K587-Y603 HydrophobicContact CD-CE1 4.06Å; K587-Y603 HydrophobicContact CD-CE2 3.77Å; K587-Y603 WeakPolarHBondContact CD-OH 3.23Å; K587-Y603 VanDerWaalsContact CE-CE2 3.41Å; K587-Y603 HydrophobicContact CG-CD1 4.27Å; K587-Y603 HydrophobicContact CG-CE1 3.71Å; K587-Y603 HydrophobicContact CG-CE2 4.29Å; K587-Y603 VanDerWaalsContact NZ-CE2 3.33Å |
| 588 | F | 93.4 | Very high | 85.5 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -58.5 | -53.2 | 178.2 | 174.6 | -116.4 | 0 | 0 | 0 | 111.5 | F584 L585 D586 K590 L591 I592 A600 Y603 F604 A634 K637 A638 L641 | F584-F588 WeakPolarHBondContact O-CB 3.33Å; F584-F588 PolarHBondContact O-N 3.23Å; L585-F588 PolarHBondContact O-N 3.07Å; D586-F588 PolarHBondContact O-N 3.06Å; F588-K590 VanDerWaalsContact C-N 3.34Å; F588-K590 PolarHBondContact O-N 3.27Å; F588-L591 WeakPolarHBondContact O-CB 3.29Å; F588-L591 PolarHBondContact O-N 3.04Å; F588-I592 HydrophobicContact CD1-CD1 4.07Å; F588-I592 HydrophobicContact CD2-CD1 4.48Å; F588-I592 HydrophobicContact CE1-CD1 3.63Å; F588-I592 HydrophobicContact CE2-CD1 4.07Å; F588-I592 HydrophobicContact CG-CD1 4.49Å; F588-I592 HydrophobicContact CZ-CD1 3.65Å; F588-I592 WeakPolarHBondContact O-CG1 3.44Å; F588-I592 PolarHBondContact O-N 2.72Å; F588-A600 HydrophobicContact CD2-CB 4.21Å; F588-A600 WeakPolarHBondContact CD2-O 3.39Å; F588-A600 HydrophobicContact CE2-CB 4.12Å; F588-A600 WeakPolarHBondContact CE2-O 3.4Å; F588-Y603 HydrophobicContact CB-CD1 4.23Å; F588-Y603 HydrophobicContact CB-CE1 4.35Å; F588-F604 HydrophobicContact CD2-CB 3.94Å; F588-F604 HydrophobicContact CD2-CD2 4.2Å; F588-F604 HydrophobicContact CE1-CD2 4.26Å; F588-F604 HydrophobicContact CE2-CB 3.66Å; F588-F604 AromaticContact CE2-CD2 3.86Å; F588-F604 HydrophobicContact CE2-CD2 3.86Å; F588-F604 HydrophobicContact CE2-CG 4.11Å; F588-F604 HydrophobicContact CZ-CB 4.44Å; F588-F604 AromaticContact CZ-CD2 3.87Å; F588-F604 HydrophobicContact CZ-CD2 3.87Å; F588-F604 HydrophobicContact CZ-CG 4.43Å; F588-A634 HydrophobicContact CD1-CB 4.21Å; F588-A634 HydrophobicContact CE1-CB 4.06Å; F588-K637 HydrophobicContact CE1-CB 4.39Å; F588-A638 HydrophobicContact CZ-CB 4.12Å; F588-L641 HydrophobicContact CE2-CD1 4.47Å; F588-L641 HydrophobicContact CZ-CD1 4.23Å |
| 589 | Y | 90.2 | Very high | 86.8 | Confident | 24 Ų | 24 | 62.2 Ų | 62.2 | 9% | 0.094 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -72.2 | -27.8 | 179.9 | -75.9 | -80.6 | 0 | 0 | 0 | 113.2 | F566 L585 L591 I592 S593 A634 K637 | F566-Y589 HydrophobicContact CB-CD1 4.21Å; F566-Y589 HydrophobicContact CB-CD2 3.62Å; F566-Y589 HydrophobicContact CB-CE2 4.43Å; F566-Y589 HydrophobicContact CB-CG 3.51Å; F566-Y589 AromaticContact CD2-CD2 3.33Å; F566-Y589 HydrophobicContact CD2-CD2 3.33Å; F566-Y589 AromaticContact CD2-CE2 3.5Å; F566-Y589 HydrophobicContact CD2-CE2 3.5Å; F566-Y589 HydrophobicContact CD2-CG 4.12Å; F566-Y589 HydrophobicContact CE2-CD2 4.05Å; F566-Y589 HydrophobicContact CE2-CE2 4.03Å; F566-Y589 AromaticContact CG-CD2 3.63Å; F566-Y589 HydrophobicContact CG-CD2 3.63Å; F566-Y589 HydrophobicContact CG-CE2 4.26Å; F566-Y589 HydrophobicContact CG-CG 4.06Å; L585-Y589 HydrophobicContact CD2-CE2 4.31Å; L585-Y589 VanDerWaalsContact O-CD2 3.29Å; L585-Y589 WeakPolarHBondContact O-CD2 3.41Å; L585-Y589 PolarHBondContact O-N 3.16Å; Y589-L591 VanDerWaalsContact C-N 3.33Å; Y589-I592 HydrophobicContact CD1-CD1 4.08Å; Y589-I592 HydrophobicContact CE1-CD1 4.5Å; Y589-I592 PolarHBondContact O-N 2.84Å; Y589-S593 WeakPolarHBondContact O-CB 3.24Å; Y589-S593 PolarHBondContact O-N 3.37Å; Y589-S593 PolarHBondContact O-OG 3.4Å; Y589-A634 HydrophobicContact CE2-CB 4.49Å; Y589-K637 HydrophobicContact CE1-CG 4.37Å |
| 590 | K | 86.9 | Confident | 87.7 | Confident | 111 Ų | 111 | 57.8 Ų | 57.8 | 48% | 0.483 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62.7 | -40.5 | 170.9 | -171 | 173 | -172 | 170.1 | 0 | 111.4 | D586 K587 F588 S593 K594 | D586-K590 WeakPolarHBondContact O-CB 3.44Å; D586-K590 PolarHBondContact O-N 2.99Å; K587-K590 PolarHBondContact O-N 3.06Å; F588-K590 VanDerWaalsContact C-N 3.34Å; F588-K590 PolarHBondContact O-N 3.27Å; K590-S593 PolarHBondContact O-N 3.39Å; K590-S593 PolarHBondContact O-OG 2.76Å; K590-K594 WeakPolarHBondContact O-CG 3.48Å; K590-K594 PolarHBondContact O-N 3.37Å; K590-K594 VanDerWaalsContact O-N 3.09Å |
| 591 | L | 89.9 | Confident | 88.1 | Confident | 16 Ų | 16 | 54.4 Ų | 54.4 | 8% | 0.084 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.2 | -42.5 | 173.7 | -70.3 | 168.7 | 0 | 0 | 0 | 111.8 | K587 F588 Y589 K594 H595 R596 A600 Y603 | K587-L591 HydrophobicContact CG-CD1 4.45Å; K587-L591 WeakPolarHBondContact O-CG 3.39Å; K587-L591 PolarHBondContact O-N 3.17Å; F588-L591 WeakPolarHBondContact O-CB 3.29Å; F588-L591 PolarHBondContact O-N 3.04Å; Y589-L591 VanDerWaalsContact C-N 3.33Å; L591-K594 CarbonylContact O-C 3.5Å; L591-K594 PolarHBondContact O-N 3.09Å; L591-H595 PolarHBondContact O-N 3.28Å; L591-R596 HydrophobicContact CD2-CB 4.16Å; L591-R596 PolarHBondContact O-N 3.03Å; L591-A600 HydrophobicContact CB-CB 3.77Å; L591-Y603 HydrophobicContact CD1-CD1 4.18Å; L591-Y603 HydrophobicContact CD1-CG 4.1Å |
| 592 | I | 86 | Confident | 88.3 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.5 | -47.5 | 175.6 | -62.7 | 171.4 | 0 | 0 | 0 | 110.9 | L562 F588 Y589 K594 H595 A600 K637 L641 | L562-I592 VanDerWaalsContact O-CG2 3.27Å; L562-I592 WeakPolarHBondContact O-CG2 3.48Å; F588-I592 HydrophobicContact CD1-CD1 4.07Å; F588-I592 HydrophobicContact CD2-CD1 4.48Å; F588-I592 HydrophobicContact CE1-CD1 3.63Å; F588-I592 HydrophobicContact CE2-CD1 4.07Å; F588-I592 HydrophobicContact CG-CD1 4.49Å; F588-I592 HydrophobicContact CZ-CD1 3.65Å; F588-I592 WeakPolarHBondContact O-CG1 3.44Å; F588-I592 PolarHBondContact O-N 2.72Å; Y589-I592 HydrophobicContact CD1-CD1 4.08Å; Y589-I592 HydrophobicContact CE1-CD1 4.5Å; Y589-I592 PolarHBondContact O-N 2.84Å; I592-K594 PolarHBondContact O-N 3.15Å; I592-H595 WeakPolarHBondContact O-CA 3Å; I592-H595 PolarHBondContact O-N 3.23Å; I592-A600 HydrophobicContact CG1-CB 3.9Å; I592-K637 HydrophobicContact CD1-CG 4.11Å; I592-L641 HydrophobicContact CD1-CD1 3.76Å; I592-L641 HydrophobicContact CG1-CD1 3.92Å |
| 593 | S | 83.9 | Confident | 88.9 | Confident | 52 Ų | 52 | 57 Ų | 57 | 36% | 0.364 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61.7 | -28.9 | 179.4 | 75.6 | 0 | 0 | 0 | 0 | 112.8 | Y589 K590 H595 | Y589-S593 WeakPolarHBondContact O-CB 3.24Å; Y589-S593 PolarHBondContact O-N 3.37Å; Y589-S593 PolarHBondContact O-OG 3.4Å; K590-S593 PolarHBondContact O-N 3.39Å; K590-S593 PolarHBondContact O-OG 2.76Å; S593-H595 VanDerWaalsContact C-N 3.3Å |
| 594 | K | 83.2 | Confident | 89.4 | Confident | 130 Ų | 130 | 52.1 Ų | 52.1 | 57% | 0.565 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | 7.2 | 173.9 | -69.5 | -175.3 | 175.3 | -168 | 0 | 113.9 | K590 L591 I592 R596 | K590-K594 WeakPolarHBondContact O-CG 3.48Å; K590-K594 PolarHBondContact O-N 3.37Å; K590-K594 VanDerWaalsContact O-N 3.09Å; L591-K594 CarbonylContact O-C 3.5Å; L591-K594 PolarHBondContact O-N 3.09Å; I592-K594 PolarHBondContact O-N 3.15Å; K594-R596 HydrophobicContact CB-CG 4.34Å; K594-R596 PolarHBondContact O-N 2.83Å |
| 595 | H | 83.1 | Confident | 89.3 | Confident | 87 Ų | 87 | 57.7 Ų | 57.7 | 40% | 0.403 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.6 | 24 | -176.8 | -62.6 | 11.1 | 0 | 0 | 0 | 114.5 | T563 L591 I592 S593 L597 | T563-H595 WeakPolarHBondContact CG2-CE1 3.45Å; L591-H595 PolarHBondContact O-N 3.28Å; I592-H595 WeakPolarHBondContact O-CA 3Å; I592-H595 PolarHBondContact O-N 3.23Å; S593-H595 VanDerWaalsContact C-N 3.3Å; H595-L597 PolarHBondContact O-N 3.12Å; H595-L597 VanDerWaalsContact O-N 3.09Å |
| 596 | R | 86.7 | Confident | 89.3 | Confident | 121 Ų | 121 | 63 Ų | 63 | 46% | 0.457 | 30% | 0.299 | S | S | . | . | trans | -88 | 62.6 | 175 | -64.6 | 177.9 | 78.3 | -174.1 | 15.1 | 109.7 | L591 K594 E599 A600 | L591-R596 HydrophobicContact CD2-CB 4.16Å; L591-R596 PolarHBondContact O-N 3.03Å; K594-R596 HydrophobicContact CB-CG 4.34Å; K594-R596 PolarHBondContact O-N 2.83Å; R596-E599 HydrophobicContact CB-CB 4.15Å; R596-E599 IonicContact CZ-OE1 3.96Å; R596-E599 IonicContact CZ-OE2 2.74Å; R596-E599 IonicContact NE-OE1 3.38Å; R596-E599 PolarHBondContact NE-OE1 3.21Å; R596-E599 IonicContact NE-OE2 2.87Å; R596-E599 PolarHBondContact NE-OE2 2.69Å; R596-E599 IonicContact NH1-OE2 2.75Å; R596-E599 PolarHBondContact NH1-OE2 3.14Å; R596-E599 IonicContact NH2-OE1 3.02Å; R596-E599 PolarHBondContact NH2-OE1 3.09Å; R596-E599 IonicContact NH2-OE2 3.06Å; R596-E599 PolarHBondContact NH2-OE2 3.14Å; R596-E599 WeakPolarHBondContact O-CB 3.17Å; R596-E599 PolarHBondContact O-N 3.4Å; R596-A600 WeakPolarHBondContact O-CB 3.47Å; R596-A600 PolarHBondContact O-N 3.05Å | ||
| 597 | L | 89.2 | Confident | 89.6 | Confident | 27 Ų | 27 | 62.9 Ų | 62.9 | 14% | 0.141 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -66.8 | -43.2 | -165.2 | -53.9 | -173.6 | 0 | 0 | 0 | 113.9 | H595 E599 A600 L601 L641 L645 | H595-L597 PolarHBondContact O-N 3.12Å; H595-L597 VanDerWaalsContact O-N 3.09Å; L597-E599 VanDerWaalsContact C-N 3.32Å; L597-E599 PolarHBondContact O-N 2.68Å; L597-A600 WeakPolarHBondContact O-CB 3.27Å; L597-A600 PolarHBondContact O-N 2.98Å; L597-L601 PolarHBondContact O-N 3.13Å; L597-L641 HydrophobicContact CB-CD2 4.33Å; L597-L641 HydrophobicContact CD1-CD2 4.17Å; L597-L641 HydrophobicContact CD2-CD2 3.8Å; L597-L641 HydrophobicContact CG-CD2 4.31Å; L597-L645 HydrophobicContact CB-CD1 4.18Å |
| 598 | Q | 87.3 | Confident | 89.7 | Confident | 123 Ų | 123 | 59.2 Ų | 59.2 | 58% | 0.575 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -64.4 | -39.2 | 177.3 | -170.8 | 65 | 25.2 | 0 | 0 | 111.7 | L601 T602 | Q598-L601 PolarHBondContact O-N 2.77Å; Q598-T602 PolarHBondContact O-N 2.8Å; Q598-T602 PolarHBondContact O-OG1 2.69Å |
| 599 | E | 91.7 | Very high | 89.5 | Confident | 88 Ų | 88 | 62.5 Ų | 62.5 | 41% | 0.411 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -66.4 | -40.8 | 173.8 | -104.4 | -178.3 | -126.1 | 0 | 0 | 112.1 | R596 L597 L601 T602 Y603 | R596-E599 HydrophobicContact CB-CB 4.15Å; R596-E599 IonicContact CZ-OE1 3.96Å; R596-E599 IonicContact CZ-OE2 2.74Å; R596-E599 IonicContact NE-OE1 3.38Å; R596-E599 PolarHBondContact NE-OE1 3.21Å; R596-E599 IonicContact NE-OE2 2.87Å; R596-E599 PolarHBondContact NE-OE2 2.69Å; R596-E599 IonicContact NH1-OE2 2.75Å; R596-E599 PolarHBondContact NH1-OE2 3.14Å; R596-E599 IonicContact NH2-OE1 3.02Å; R596-E599 PolarHBondContact NH2-OE1 3.09Å; R596-E599 IonicContact NH2-OE2 3.06Å; R596-E599 PolarHBondContact NH2-OE2 3.14Å; R596-E599 WeakPolarHBondContact O-CB 3.17Å; R596-E599 PolarHBondContact O-N 3.4Å; L597-E599 VanDerWaalsContact C-N 3.32Å; L597-E599 PolarHBondContact O-N 2.68Å; E599-L601 VanDerWaalsContact C-N 3.32Å; E599-L601 PolarHBondContact O-N 3.49Å; E599-T602 PolarHBondContact O-N 3.42Å; E599-Y603 WeakPolarHBondContact O-CB 3.44Å; E599-Y603 PolarHBondContact O-N 2.93Å |
| 600 | A | 92.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -59.7 | -43.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | F588 L591 I592 R596 L597 F604 | F588-A600 HydrophobicContact CD2-CB 4.21Å; F588-A600 WeakPolarHBondContact CD2-O 3.39Å; F588-A600 HydrophobicContact CE2-CB 4.12Å; F588-A600 WeakPolarHBondContact CE2-O 3.4Å; L591-A600 HydrophobicContact CB-CB 3.77Å; I592-A600 HydrophobicContact CG1-CB 3.9Å; R596-A600 WeakPolarHBondContact O-CB 3.47Å; R596-A600 PolarHBondContact O-N 3.05Å; L597-A600 WeakPolarHBondContact O-CB 3.27Å; L597-A600 PolarHBondContact O-N 2.98Å; A600-F604 VanDerWaalsContact O-CB 3.32Å; A600-F604 WeakPolarHBondContact O-CB 3.48Å; A600-F604 PolarHBondContact O-N 2.81Å |
| 601 | L | 91.8 | Very high | 89.6 | Confident | 10 Ų | 10 | 59 Ų | 59 | 5% | 0.052 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64.8 | -44.1 | 175.5 | -79.4 | -176.8 | 0 | 0 | 0 | 113 | L597 Q598 E599 Y603 F604 Q605 A638 L641 K642 L645 | L597-L601 PolarHBondContact O-N 3.13Å; Q598-L601 PolarHBondContact O-N 2.77Å; E599-L601 VanDerWaalsContact C-N 3.32Å; E599-L601 PolarHBondContact O-N 3.49Å; L601-Y603 VanDerWaalsContact C-N 3.34Å; L601-F604 PolarHBondContact O-N 2.75Å; L601-Q605 WeakPolarHBondContact O-CB 3.48Å; L601-Q605 VanDerWaalsContact O-CG 3.31Å; L601-Q605 WeakPolarHBondContact O-CG 3.44Å; L601-Q605 PolarHBondContact O-N 2.82Å; L601-A638 HydrophobicContact CD2-CB 4.11Å; L601-A638 VanDerWaalsContact CD2-O 3.29Å; L601-A638 WeakPolarHBondContact CD2-O 3.25Å; L601-L641 HydrophobicContact CD1-CB 4.33Å; L601-L641 HydrophobicContact CD2-CB 3.82Å; L601-L641 HydrophobicContact CG-CB 4.06Å; L601-K642 HydrophobicContact CD1-CB 4.19Å; L601-K642 HydrophobicContact CD2-CB 4.37Å; L601-L645 HydrophobicContact CD1-CD1 3.45Å; L601-L645 VanDerWaalsContact CD1-CD1 3.45Å; L601-L645 HydrophobicContact CG-CD1 4.37Å |
| 602 | T | 90.2 | Very high | 89.6 | Confident | 60 Ų | 60 | 60.5 Ų | 60.5 | 37% | 0.368 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63.2 | -44.3 | 178.4 | -53.5 | 0 | 0 | 0 | 0 | 110.4 | Q598 E599 Q605 N606 | Q598-T602 PolarHBondContact O-N 2.8Å; Q598-T602 PolarHBondContact O-OG1 2.69Å; E599-T602 PolarHBondContact O-N 3.42Å; T602-Q605 PolarHBondContact O-N 3.09Å; T602-N606 VanDerWaalsContact O-CG 3.25Å; T602-N606 PolarHBondContact O-N 3.45Å; T602-N606 VanDerWaalsContact O-N 3.12Å; T602-N606 PolarHBondContact O-ND2 3.28Å |
| 603 | Y | 94 | Very high | 89.6 | Confident | 35 Ų | 35 | 66.2 Ų | 66.2 | 14% | 0.137 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -61.6 | -44.3 | 175.6 | -176.2 | -109.6 | 0 | 0 | 0 | 111.8 | F584 K587 F588 L591 E599 L601 N606 E607 | F584-Y603 HydrophobicContact CD2-CD1 4.39Å; F584-Y603 AromaticContact CD2-CE1 3.71Å; F584-Y603 HydrophobicContact CD2-CE1 3.71Å; F584-Y603 HydrophobicContact CE2-CD1 4.34Å; F584-Y603 HydrophobicContact CE2-CE1 4.1Å; K587-Y603 HydrophobicContact CB-CE1 3.77Å; K587-Y603 HydrophobicContact CD-CD2 4.5Å; K587-Y603 HydrophobicContact CD-CE1 4.06Å; K587-Y603 HydrophobicContact CD-CE2 3.77Å; K587-Y603 WeakPolarHBondContact CD-OH 3.23Å; K587-Y603 VanDerWaalsContact CE-CE2 3.41Å; K587-Y603 HydrophobicContact CG-CD1 4.27Å; K587-Y603 HydrophobicContact CG-CE1 3.71Å; K587-Y603 HydrophobicContact CG-CE2 4.29Å; K587-Y603 VanDerWaalsContact NZ-CE2 3.33Å; F588-Y603 HydrophobicContact CB-CD1 4.23Å; F588-Y603 HydrophobicContact CB-CE1 4.35Å; L591-Y603 HydrophobicContact CD1-CD1 4.18Å; L591-Y603 HydrophobicContact CD1-CG 4.1Å; E599-Y603 WeakPolarHBondContact O-CB 3.44Å; E599-Y603 PolarHBondContact O-N 2.93Å; L601-Y603 VanDerWaalsContact C-N 3.34Å; Y603-N606 PolarHBondContact O-N 3.12Å; Y603-E607 HydrophobicContact CD2-CG 3.88Å; Y603-E607 HydrophobicContact CE2-CG 3.51Å; Y603-E607 WeakPolarHBondContact O-CB 3.46Å; Y603-E607 WeakPolarHBondContact O-CG 3.35Å; Y603-E607 PolarHBondContact O-N 3.01Å; Y603-E607 VanDerWaalsContact O-N 3.1Å |
| 604 | F | 95.6 | Very high | 89.7 | Confident | 21 Ų | 21 | 67.2 Ų | 67.2 | 9% | 0.092 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -58.4 | -49.5 | 174.9 | -177.2 | -86.3 | 0 | 0 | 0 | 111.9 | F584 F588 A600 L601 N606 E607 F608 A634 M635 A638 | F584-F604 AromaticContact CZ-CD2 3.71Å; F584-F604 HydrophobicContact CZ-CD2 3.71Å; F584-F604 HydrophobicContact CZ-CE2 4.11Å; F584-F604 HydrophobicContact CZ-CG 4.46Å; F588-F604 HydrophobicContact CD2-CB 3.94Å; F588-F604 HydrophobicContact CD2-CD2 4.2Å; F588-F604 HydrophobicContact CE1-CD2 4.26Å; F588-F604 HydrophobicContact CE2-CB 3.66Å; F588-F604 AromaticContact CE2-CD2 3.86Å; F588-F604 HydrophobicContact CE2-CD2 3.86Å; F588-F604 HydrophobicContact CE2-CG 4.11Å; F588-F604 HydrophobicContact CZ-CB 4.44Å; F588-F604 AromaticContact CZ-CD2 3.87Å; F588-F604 HydrophobicContact CZ-CD2 3.87Å; F588-F604 HydrophobicContact CZ-CG 4.43Å; A600-F604 VanDerWaalsContact O-CB 3.32Å; A600-F604 WeakPolarHBondContact O-CB 3.48Å; A600-F604 PolarHBondContact O-N 2.81Å; L601-F604 PolarHBondContact O-N 2.75Å; F604-N606 VanDerWaalsContact C-N 3.29Å; F604-N606 PolarHBondContact O-N 3.45Å; F604-E607 PolarHBondContact O-N 3.49Å; F604-F608 HydrophobicContact CD1-CB 4.27Å; F604-F608 HydrophobicContact CD2-CB 4.47Å; F604-F608 HydrophobicContact CD2-CD2 4.19Å; F604-F608 HydrophobicContact CE1-CB 4.03Å; F604-F608 HydrophobicContact CE1-CD1 4.3Å; F604-F608 HydrophobicContact CE1-CD2 4.12Å; F604-F608 AromaticContact CE1-CG 3.9Å; F604-F608 HydrophobicContact CE1-CG 3.9Å; F604-F608 HydrophobicContact CE2-CB 4.23Å; F604-F608 AromaticContact CE2-CD2 3.3Å; F604-F608 HydrophobicContact CE2-CD2 3.3Å; F604-F608 AromaticContact CE2-CE2 3.76Å; F604-F608 HydrophobicContact CE2-CE2 3.76Å; F604-F608 AromaticContact CE2-CG 3.91Å; F604-F608 HydrophobicContact CE2-CG 3.91Å; F604-F608 HydrophobicContact CG-CB 4.47Å; F604-F608 HydrophobicContact CZ-CB 3.98Å; F604-F608 HydrophobicContact CZ-CD1 4.03Å; F604-F608 AromaticContact CZ-CD2 3.24Å; F604-F608 HydrophobicContact CZ-CD2 3.24Å; F604-F608 HydrophobicContact CZ-CE1 4.32Å; F604-F608 AromaticContact CZ-CE2 3.58Å; F604-F608 HydrophobicContact CZ-CE2 3.58Å; F604-F608 AromaticContact CZ-CG 3.48Å; F604-F608 HydrophobicContact CZ-CG 3.48Å; F604-F608 VanDerWaalsContact CZ-CG 3.48Å; F604-F608 HydrophobicContact CZ-CZ 4.11Å; F604-F608 WeakPolarHBondContact O-CB 3.19Å; F604-F608 PolarHBondContact O-N 3.38Å; F604-A634 HydrophobicContact CE2-CB 4.01Å; F604-M635 HydrophobicContact CZ-CB 3.93Å; F604-M635 HydrophobicContact CZ-CG 4.39Å; F604-A638 HydrophobicContact CD1-CB 3.64Å; F604-A638 HydrophobicContact CD2-CB 3.86Å; F604-A638 HydrophobicContact CE1-CB 3.72Å; F604-A638 HydrophobicContact CE2-CB 3.95Å; F604-A638 HydrophobicContact CG-CB 3.73Å; F604-A638 HydrophobicContact CZ-CB 3.89Å |
| 605 | Q | 91.2 | Very high | 89.9 | Confident | 120 Ų | 120 | 61 Ų | 61 | 56% | 0.561 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -61.3 | -36.8 | -178.3 | -74.7 | 173 | -5.6 | 0 | 0 | 113.1 | L601 T602 | L601-Q605 WeakPolarHBondContact O-CB 3.48Å; L601-Q605 VanDerWaalsContact O-CG 3.31Å; L601-Q605 WeakPolarHBondContact O-CG 3.44Å; L601-Q605 PolarHBondContact O-N 2.82Å; T602-Q605 PolarHBondContact O-N 3.09Å |
| 606 | N | 90.8 | Very high | 90 | Very high | 112 Ų | 112 | 61.6 Ų | 61.6 | 60% | 0.599 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -76.7 | -40.4 | -178.2 | -67.7 | -15.4 | 0 | 0 | 0 | 112.6 | T602 Y603 F604 | T602-N606 VanDerWaalsContact O-CG 3.25Å; T602-N606 PolarHBondContact O-N 3.45Å; T602-N606 VanDerWaalsContact O-N 3.12Å; T602-N606 PolarHBondContact O-ND2 3.28Å; Y603-N606 PolarHBondContact O-N 3.12Å; F604-N606 VanDerWaalsContact C-N 3.29Å; F604-N606 PolarHBondContact O-N 3.45Å |
| 607 | E | 92.7 | Very high | 89.8 | Confident | 80 Ų | 80 | 61.5 Ų | 61.5 | 37% | 0.374 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -99.3 | -27.3 | -168.7 | -58.1 | -60 | 157.7 | 0 | 0 | 113.9 | F584 Y603 F604 S609 C610 C611 | F584-E607 HydrophobicContact CD2-CB 3.47Å; F584-E607 VanDerWaalsContact CD2-CB 3.47Å; F584-E607 HydrophobicContact CD2-CG 4.32Å; F584-E607 HydrophobicContact CE2-CB 3.67Å; Y603-E607 HydrophobicContact CD2-CG 3.88Å; Y603-E607 HydrophobicContact CE2-CG 3.51Å; Y603-E607 WeakPolarHBondContact O-CB 3.46Å; Y603-E607 WeakPolarHBondContact O-CG 3.35Å; Y603-E607 PolarHBondContact O-N 3.01Å; Y603-E607 VanDerWaalsContact O-N 3.1Å; F604-E607 PolarHBondContact O-N 3.49Å; E607-S609 VanDerWaalsContact C-N 3.3Å; E607-S609 PolarHBondContact O-N 2.87Å; E607-C610 WeakPolarHBondContact O-CB 3.49Å; E607-C610 PolarHBondContact O-N 2.77Å; E607-C611 PolarHBondContact O-N 3.04Å; E607-C611 VanDerWaalsContact O-N 3.12Å |
| 608 | F | 93.1 | Very high | 89.5 | Confident | 26 Ų | 26 | 60.6 Ų | 60.6 | 11% | 0.114 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -58.8 | -38.5 | -170 | -177.6 | -98.2 | 0 | 0 | 0 | 113.4 | F584 F604 C610 C611 L612 L631 M635 | F584-F608 HydrophobicContact CE1-CD2 4.07Å; F584-F608 HydrophobicContact CZ-CB 4.12Å; F584-F608 HydrophobicContact CZ-CD2 4.02Å; F604-F608 HydrophobicContact CD1-CB 4.27Å; F604-F608 HydrophobicContact CD2-CB 4.47Å; F604-F608 HydrophobicContact CD2-CD2 4.19Å; F604-F608 HydrophobicContact CE1-CB 4.03Å; F604-F608 HydrophobicContact CE1-CD1 4.3Å; F604-F608 HydrophobicContact CE1-CD2 4.12Å; F604-F608 AromaticContact CE1-CG 3.9Å; F604-F608 HydrophobicContact CE1-CG 3.9Å; F604-F608 HydrophobicContact CE2-CB 4.23Å; F604-F608 AromaticContact CE2-CD2 3.3Å; F604-F608 HydrophobicContact CE2-CD2 3.3Å; F604-F608 AromaticContact CE2-CE2 3.76Å; F604-F608 HydrophobicContact CE2-CE2 3.76Å; F604-F608 AromaticContact CE2-CG 3.91Å; F604-F608 HydrophobicContact CE2-CG 3.91Å; F604-F608 HydrophobicContact CG-CB 4.47Å; F604-F608 HydrophobicContact CZ-CB 3.98Å; F604-F608 HydrophobicContact CZ-CD1 4.03Å; F604-F608 AromaticContact CZ-CD2 3.24Å; F604-F608 HydrophobicContact CZ-CD2 3.24Å; F604-F608 HydrophobicContact CZ-CE1 4.32Å; F604-F608 AromaticContact CZ-CE2 3.58Å; F604-F608 HydrophobicContact CZ-CE2 3.58Å; F604-F608 AromaticContact CZ-CG 3.48Å; F604-F608 HydrophobicContact CZ-CG 3.48Å; F604-F608 VanDerWaalsContact CZ-CG 3.48Å; F604-F608 HydrophobicContact CZ-CZ 4.11Å; F604-F608 WeakPolarHBondContact O-CB 3.19Å; F604-F608 PolarHBondContact O-N 3.38Å; F608-C610 VanDerWaalsContact C-N 3.3Å; F608-C610 PolarHBondContact O-N 3.22Å; F608-C611 PolarHBondContact O-N 3.01Å; F608-L612 HydrophobicContact CE1-CD2 4.38Å; F608-L612 WeakPolarHBondContact O-CB 3.3Å; F608-L612 PolarHBondContact O-N 3.42Å; F608-L631 HydrophobicContact CD2-CD2 3.95Å; F608-L631 HydrophobicContact CE2-CB 3.92Å; F608-L631 HydrophobicContact CE2-CD2 3.74Å; F608-L631 HydrophobicContact CE2-CG 4.4Å; F608-L631 WeakPolarHBondContact CE2-O 3.28Å; F608-L631 HydrophobicContact CZ-CB 4.34Å; F608-M635 HydrophobicContact CE1-SD 4.31Å; F608-M635 HydrophobicContact CE2-CB 4.28Å; F608-M635 HydrophobicContact CZ-CB 4.05Å; F608-M635 HydrophobicContact CZ-CE 4.4Å; F608-M635 HydrophobicContact CZ-SD 4.19Å |
| 609 | S | 89.4 | Confident | 89.2 | Confident | 69 Ų | 69 | 60.1 Ų | 60.1 | 48% | 0.483 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.8 | -35.9 | 178.7 | -173.5 | 0 | 0 | 0 | 0 | 112.3 | E607 K613 | E607-S609 VanDerWaalsContact C-N 3.3Å; E607-S609 PolarHBondContact O-N 2.87Å; S609-K613 WeakPolarHBondContact O-CG 3.18Å; S609-K613 PolarHBondContact O-N 3.08Å |
| 610 | C | 88.8 | Confident | 88.7 | Confident | 62 Ų | 62 | 58.7 Ų | 58.7 | 42% | 0.419 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -68.4 | -47.7 | 175.5 | -167.3 | 0 | 0 | 0 | 0 | 110.5 | E607 F608 L612 K613 E614 | E607-C610 WeakPolarHBondContact O-CB 3.49Å; E607-C610 PolarHBondContact O-N 2.77Å; F608-C610 VanDerWaalsContact C-N 3.3Å; F608-C610 PolarHBondContact O-N 3.22Å; C610-L612 VanDerWaalsContact C-N 3.29Å; C610-L612 PolarHBondContact O-N 3.17Å; C610-K613 PolarHBondContact O-N 3.4Å; C610-K613 VanDerWaalsContact O-N 3.14Å; C610-E614 PolarHBondContact O-N 3.49Å |
| 611 | C | 90.7 | Very high | 88 | Confident | 1 Ų | 1 | 63.1 Ų | 63.1 | 1% | 0.007 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -61 | -36.9 | 178.1 | -63.5 | 0 | 0 | 0 | 0 | 112.9 | V581 F584 E607 F608 E614 A615 L631 | V581-C611 HydrophobicContact CG1-CB 4.49Å; V581-C611 HydrophobicContact CG2-CB 4.14Å; F584-C611 WeakPolarHBondContact CB-SG 3.33Å; F584-C611 HydrophobicContact CD1-CB 4.17Å; F584-C611 HydrophobicContact CG-CB 4.41Å; F584-C611 WeakPolarHBondContact CG-SG 3.4Å; E607-C611 PolarHBondContact O-N 3.04Å; E607-C611 VanDerWaalsContact O-N 3.12Å; F608-C611 PolarHBondContact O-N 3.01Å; C611-E614 PolarHBondContact O-N 3.1Å; C611-A615 WeakPolarHBondContact O-CB 3.48Å; C611-A615 PolarHBondContact O-N 2.97Å; C611-L631 HydrophobicContact CB-CD2 3.97Å |
| 612 | L | 88.9 | Confident | 87.4 | Confident | 46 Ų | 46 | 68.9 Ų | 68.9 | 24% | 0.241 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -65.6 | -39.4 | 176.3 | -171 | 67.6 | 0 | 0 | 0 | 111.8 | F608 C610 Q616 F628 L631 | F608-L612 HydrophobicContact CE1-CD2 4.38Å; F608-L612 WeakPolarHBondContact O-CB 3.3Å; F608-L612 PolarHBondContact O-N 3.42Å; C610-L612 VanDerWaalsContact C-N 3.29Å; C610-L612 PolarHBondContact O-N 3.17Å; L612-Q616 WeakPolarHBondContact O-CB 3.48Å; L612-Q616 VanDerWaalsContact O-CG 3.24Å; L612-Q616 WeakPolarHBondContact O-CG 2.74Å; L612-Q616 PolarHBondContact O-N 2.91Å; L612-F628 HydrophobicContact CD1-CD1 4.11Å; L612-F628 HydrophobicContact CD1-CE1 3.67Å; L612-L631 HydrophobicContact CD1-CD1 4.28Å |
| 613 | K | 86.8 | Confident | 86.9 | Confident | 121 Ų | 121 | 66.2 Ų | 66.2 | 53% | 0.526 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -67.1 | -42 | 175.4 | -72.9 | 174.8 | -178.1 | 176.4 | 0 | 111.7 | S609 C610 Q616 N617 | S609-K613 WeakPolarHBondContact O-CG 3.18Å; S609-K613 PolarHBondContact O-N 3.08Å; C610-K613 PolarHBondContact O-N 3.4Å; C610-K613 VanDerWaalsContact O-N 3.14Å; K613-Q616 WeakPolarHBondContact O-CB 3.38Å; K613-Q616 PolarHBondContact O-N 3.34Å; K613-N617 WeakPolarHBondContact O-CB 3.18Å; K613-N617 VanDerWaalsContact O-CG 3.23Å; K613-N617 PolarHBondContact O-N 3.43Å; K613-N617 PolarHBondContact O-ND2 3.34Å |
| 614 | E | 86.3 | Confident | 86.3 | Confident | 72 Ų | 72 | 68.8 Ų | 68.8 | 34% | 0.336 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61.5 | -46.6 | 174.9 | -75.1 | -57.3 | 151 | 0 | 0 | 111.5 | I580 V581 C610 C611 Q616 N617 D618 | I580-E614 HydrophobicContact CD1-CG 4.18Å; V581-E614 HydrophobicContact CG2-CB 4.22Å; C610-E614 PolarHBondContact O-N 3.49Å; C611-E614 PolarHBondContact O-N 3.1Å; E614-Q616 VanDerWaalsContact C-N 3.3Å; E614-Q616 PolarHBondContact O-N 3.07Å; E614-N617 PolarHBondContact O-N 2.87Å; E614-N617 VanDerWaalsContact O-N 3.16Å; E614-D618 PolarHBondContact O-N 2.79Å; E614-D618 VanDerWaalsContact O-N 3.09Å |
| 615 | A | 86.2 | Confident | 85.6 | Confident | 0 Ų | 0 | 71.6 Ų | 71.6 | 0% | 0 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -60.2 | -39.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | C611 N617 D618 R624 L627 L631 | C611-A615 WeakPolarHBondContact O-CB 3.48Å; C611-A615 PolarHBondContact O-N 2.97Å; A615-N617 VanDerWaalsContact C-N 3.34Å; A615-D618 PolarHBondContact O-N 3.24Å; A615-R624 WeakPolarHBondContact O-CG 3.39Å; A615-L627 HydrophobicContact CB-CB 3.83Å; A615-L627 HydrophobicContact CB-CD1 4.11Å; A615-L631 HydrophobicContact CB-CD1 3.74Å |
| 616 | Q | 85.9 | Confident | 85.2 | Confident | 99 Ų | 99 | 67.6 Ų | 67.6 | 46% | 0.463 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -63.4 | -38.5 | 175.8 | -80.2 | 170.8 | -3.6 | 0 | 0 | 113 | L612 K613 E614 D618 F628 | L612-Q616 WeakPolarHBondContact O-CB 3.48Å; L612-Q616 VanDerWaalsContact O-CG 3.24Å; L612-Q616 WeakPolarHBondContact O-CG 2.74Å; L612-Q616 PolarHBondContact O-N 2.91Å; K613-Q616 WeakPolarHBondContact O-CB 3.38Å; K613-Q616 PolarHBondContact O-N 3.34Å; E614-Q616 VanDerWaalsContact C-N 3.3Å; E614-Q616 PolarHBondContact O-N 3.07Å; Q616-D618 VanDerWaalsContact C-N 3.32Å; Q616-F628 HydrophobicContact CG-CE1 4.24Å; Q616-F628 HydrophobicContact CG-CE2 4.47Å; Q616-F628 HydrophobicContact CG-CZ 3.54Å |
| 617 | N | 83.7 | Confident | 84.9 | Confident | 120 Ų | 120 | 62.3 Ų | 62.3 | 64% | 0.642 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -82.5 | -8.4 | -177.4 | -68 | -24.8 | 0 | 0 | 0 | 113.3 | K613 E614 A615 S619 | K613-N617 WeakPolarHBondContact O-CB 3.18Å; K613-N617 VanDerWaalsContact O-CG 3.23Å; K613-N617 PolarHBondContact O-N 3.43Å; K613-N617 PolarHBondContact O-ND2 3.34Å; E614-N617 PolarHBondContact O-N 2.87Å; E614-N617 VanDerWaalsContact O-N 3.16Å; A615-N617 VanDerWaalsContact C-N 3.34Å; N617-S619 PolarHBondContact O-N 3.12Å; N617-S619 VanDerWaalsContact O-N 3.17Å |
| 618 | D | 82.7 | Confident | 84.7 | Confident | 8 Ų | 8 | 61.3 Ų | 61.3 | 4% | 0.043 | 33% | 0.331 | C | S | . | . | trans | -62.7 | 117.5 | 178.9 | -165.9 | -63.9 | 0 | 0 | 0 | 110.7 | S577 S578 E614 A615 Q616 N620 R624 L627 | S577-D618 PolarHBondContact OG-OD2 2.87Å; S578-D618 PolarHBondContact OG-OD2 3.27Å; E614-D618 PolarHBondContact O-N 2.79Å; E614-D618 VanDerWaalsContact O-N 3.09Å; A615-D618 PolarHBondContact O-N 3.24Å; Q616-D618 VanDerWaalsContact C-N 3.32Å; D618-N620 PolarHBondContact O-N 3.1Å; D618-N620 WeakPolarHBondContact OD1-CA 3.32Å; D618-N620 WeakPolarHBondContact OD1-CB 3.5Å; D618-N620 PolarHBondContact OD1-N 3.08Å; D618-R624 HydrophobicContact CB-CB 4.5Å; D618-R624 PolarHBondContact O-NE 3.03Å; D618-R624 PolarHBondContact O-NH2 3.4Å; D618-L627 HydrophobicContact CB-CD1 4.36Å | ||
| 619 | S | 79.9 | Confident | 84.3 | Confident | 112 Ų | 112 | 65.9 Ų | 65.9 | 78% | 0.783 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -66.2 | -21.7 | -175.7 | 66.2 | 0 | 0 | 0 | 0 | 114 | N617 | N617-S619 PolarHBondContact O-N 3.12Å; N617-S619 VanDerWaalsContact O-N 3.17Å |
| 620 | N | 82.3 | Confident | 84.1 | Confident | 59 Ų | 59 | 63.2 Ų | 63.2 | 32% | 0.316 | 33% | 0.331 | S | S | . | . | trans | -89.7 | 113.4 | -177 | -179.6 | -21.5 | 0 | 0 | 0 | 110.5 | D575 D618 K622 S623 R624 | D575-N620 PolarHBondContact OD2-ND2 3.12Å; D618-N620 PolarHBondContact O-N 3.1Å; D618-N620 WeakPolarHBondContact OD1-CA 3.32Å; D618-N620 WeakPolarHBondContact OD1-CB 3.5Å; D618-N620 PolarHBondContact OD1-N 3.08Å; N620-K622 VanDerWaalsContact C-N 3.26Å; N620-K622 PolarHBondContact O-N 2.85Å; N620-K622 PolarHBondContact OD1-N 2.63Å; N620-S623 VanDerWaalsContact CG-OG 3.31Å; N620-S623 PolarHBondContact ND2-OG 3.07Å; N620-S623 PolarHBondContact O-N 3.19Å; N620-S623 PolarHBondContact OD1-N 2.96Å; N620-R624 VanDerWaalsContact O-CB 3.27Å; N620-R624 WeakPolarHBondContact O-CB 3.06Å; N620-R624 PolarHBondContact O-N 3.46Å | ||
| 621 | S | 77.9 | Confident | 84.2 | Confident | 92 Ų | 92 | 60.2 Ų | 60.2 | 64% | 0.643 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -60.8 | -31.2 | -177.3 | -172.8 | 0 | 0 | 0 | 0 | 113.9 | S625 | S621-S625 PolarHBondContact O-N 2.91Å |
| 622 | K | 79.2 | Confident | 84 | Confident | 131 Ų | 131 | 63.6 Ų | 63.6 | 57% | 0.57 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -73.7 | -47.9 | 178.3 | -168.7 | -170 | 177.6 | -152 | 0 | 110 | E573 N620 R624 S625 I626 | E573-K622 IonicContact OE2-NZ 3.13Å; E573-K622 PolarHBondContact OE2-NZ 3.45Å; E573-K622 VanDerWaalsContact OE2-NZ 3.09Å; N620-K622 VanDerWaalsContact C-N 3.26Å; N620-K622 PolarHBondContact O-N 2.85Å; N620-K622 PolarHBondContact OD1-N 2.63Å; K622-R624 VanDerWaalsContact C-N 3.35Å; K622-R624 PolarHBondContact O-N 2.83Å; K622-S625 PolarHBondContact O-N 2.85Å; K622-I626 HydrophobicContact CG-CD1 4.39Å; K622-I626 WeakPolarHBondContact O-CG1 3.38Å; K622-I626 PolarHBondContact O-N 3.46Å; K622-I626 VanDerWaalsContact O-N 3.15Å |
| 623 | S | 78.7 | Confident | 84 | Confident | 5 Ų | 5 | 65 Ų | 65 | 4% | 0.035 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -57.1 | -49.2 | 175.7 | -61.2 | 0 | 0 | 0 | 0 | 110.8 | D575 N620 S625 I626 L627 | D575-S623 PolarHBondContact OD1-OG 2.78Å; N620-S623 VanDerWaalsContact CG-OG 3.31Å; N620-S623 PolarHBondContact ND2-OG 3.07Å; N620-S623 PolarHBondContact O-N 3.19Å; N620-S623 PolarHBondContact OD1-N 2.96Å; S623-S625 VanDerWaalsContact C-N 3.35Å; S623-S625 PolarHBondContact O-N 3.48Å; S623-I626 PolarHBondContact O-N 2.97Å; S623-I626 VanDerWaalsContact O-N 3.13Å; S623-L627 WeakPolarHBondContact O-CG 3.45Å; S623-L627 PolarHBondContact O-N 3.3Å |
| 624 | R | 82.5 | Confident | 84.1 | Confident | 89 Ų | 89 | 59.2 Ų | 59.2 | 34% | 0.336 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -51.9 | -48.8 | 175.3 | -171.8 | 178.6 | -42.8 | 162.5 | 7 | 112.7 | A615 D618 N620 K622 I626 L627 F628 | A615-R624 WeakPolarHBondContact O-CG 3.39Å; D618-R624 HydrophobicContact CB-CB 4.5Å; D618-R624 PolarHBondContact O-NE 3.03Å; D618-R624 PolarHBondContact O-NH2 3.4Å; N620-R624 VanDerWaalsContact O-CB 3.27Å; N620-R624 WeakPolarHBondContact O-CB 3.06Å; N620-R624 PolarHBondContact O-N 3.46Å; K622-R624 VanDerWaalsContact C-N 3.35Å; K622-R624 PolarHBondContact O-N 2.83Å; R624-I626 PolarHBondContact O-N 3.2Å; R624-L627 PolarHBondContact O-N 3.43Å; R624-F628 HydrophobicContact CG-CD2 3.68Å; R624-F628 HydrophobicContact CG-CE2 3.48Å; R624-F628 VanDerWaalsContact CG-CE2 3.48Å; R624-F628 WeakPolarHBondContact O-CD2 3.37Å; R624-F628 PolarHBondContact O-N 2.86Å |
| 625 | S | 79.3 | Confident | 84.3 | Confident | 80 Ų | 80 | 58.7 Ų | 58.7 | 56% | 0.559 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -60.7 | -42.8 | 179.1 | -175.3 | 0 | 0 | 0 | 0 | 112.8 | S621 K622 S623 K629 | S621-S625 PolarHBondContact O-N 2.91Å; K622-S625 PolarHBondContact O-N 2.85Å; S623-S625 VanDerWaalsContact C-N 3.35Å; S623-S625 PolarHBondContact O-N 3.48Å; S625-K629 WeakPolarHBondContact O-CB 3.49Å; S625-K629 PolarHBondContact O-N 2.99Å; S625-K629 VanDerWaalsContact O-N 3.14Å |
| 626 | I | 83.2 | Confident | 84.3 | Confident | 35 Ų | 35 | 62.5 Ų | 62.5 | 18% | 0.179 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -64.1 | -48.2 | 176.8 | -65.2 | 167.6 | 0 | 0 | 0 | 110.3 | L571 L574 K622 S623 R624 F628 K629 E630 | L571-I626 HydrophobicContact CD2-CG2 4.23Å; L574-I626 HydrophobicContact CD2-CB 4.37Å; L574-I626 HydrophobicContact CD2-CD1 4.33Å; L574-I626 HydrophobicContact CD2-CG2 4.4Å; K622-I626 HydrophobicContact CG-CD1 4.39Å; K622-I626 WeakPolarHBondContact O-CG1 3.38Å; K622-I626 PolarHBondContact O-N 3.46Å; K622-I626 VanDerWaalsContact O-N 3.15Å; S623-I626 PolarHBondContact O-N 2.97Å; S623-I626 VanDerWaalsContact O-N 3.13Å; R624-I626 PolarHBondContact O-N 3.2Å; I626-F628 PolarHBondContact O-N 3.43Å; I626-K629 WeakPolarHBondContact O-CB 3.44Å; I626-K629 PolarHBondContact O-N 3.26Å; I626-E630 WeakPolarHBondContact O-CG 3.23Å; I626-E630 PolarHBondContact O-N 3.19Å; I626-E630 VanDerWaalsContact O-N 3.08Å |
| 627 | L | 85.6 | Confident | 84.3 | Confident | 1 Ų | 1 | 58.6 Ų | 58.6 | 1% | 0.005 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -58.9 | -46.3 | 179.3 | -69.8 | 175.6 | 0 | 0 | 0 | 112.2 | L571 L574 V581 A615 D618 S623 R624 K629 E630 L631 | L571-L627 HydrophobicContact CD2-CD2 4.46Å; L574-L627 HydrophobicContact CD1-CD2 3.6Å; L574-L627 HydrophobicContact CD1-CG 4.17Å; V581-L627 HydrophobicContact CB-CD2 3.85Å; V581-L627 HydrophobicContact CG1-CD2 3.78Å; V581-L627 HydrophobicContact CG2-CD2 4.32Å; A615-L627 HydrophobicContact CB-CB 3.83Å; A615-L627 HydrophobicContact CB-CD1 4.11Å; D618-L627 HydrophobicContact CB-CD1 4.36Å; S623-L627 WeakPolarHBondContact O-CG 3.45Å; S623-L627 PolarHBondContact O-N 3.3Å; R624-L627 PolarHBondContact O-N 3.43Å; L627-K629 VanDerWaalsContact C-N 3.31Å; L627-K629 PolarHBondContact O-N 2.86Å; L627-E630 PolarHBondContact O-N 3.34Å; L627-L631 WeakPolarHBondContact O-CB 3.25Å; L627-L631 WeakPolarHBondContact O-CG 3.46Å; L627-L631 PolarHBondContact O-N 2.8Å |
| 628 | F | 86.6 | Confident | 84.6 | Confident | 59 Ų | 59 | 53.1 Ų | 53.1 | 26% | 0.259 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61.5 | -40.2 | 177.2 | -87.5 | -68.5 | 0 | 0 | 0 | 112.7 | L612 Q616 R624 I626 L631 N632 | L612-F628 HydrophobicContact CD1-CD1 4.11Å; L612-F628 HydrophobicContact CD1-CE1 3.67Å; Q616-F628 HydrophobicContact CG-CE1 4.24Å; Q616-F628 HydrophobicContact CG-CE2 4.47Å; Q616-F628 HydrophobicContact CG-CZ 3.54Å; R624-F628 HydrophobicContact CG-CD2 3.68Å; R624-F628 HydrophobicContact CG-CE2 3.48Å; R624-F628 VanDerWaalsContact CG-CE2 3.48Å; R624-F628 WeakPolarHBondContact O-CD2 3.37Å; R624-F628 PolarHBondContact O-N 2.86Å; I626-F628 PolarHBondContact O-N 3.43Å; F628-L631 PolarHBondContact O-N 2.95Å; F628-N632 WeakPolarHBondContact O-CB 3.33Å; F628-N632 PolarHBondContact O-N 3.39Å; F628-N632 PolarHBondContact O-ND2 2.81Å; F628-N632 VanDerWaalsContact O-ND2 3.16Å |
| 629 | K | 85.3 | Confident | 84.7 | Confident | 122 Ų | 122 | 58.9 Ų | 58.9 | 53% | 0.53 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -62.1 | -46.9 | 178.3 | -173.8 | 176.5 | -176.5 | 171.4 | 0 | 111.3 | S625 I626 L627 N632 L633 | S625-K629 WeakPolarHBondContact O-CB 3.49Å; S625-K629 PolarHBondContact O-N 2.99Å; S625-K629 VanDerWaalsContact O-N 3.14Å; I626-K629 WeakPolarHBondContact O-CB 3.44Å; I626-K629 PolarHBondContact O-N 3.26Å; L627-K629 VanDerWaalsContact C-N 3.31Å; L627-K629 PolarHBondContact O-N 2.86Å; K629-N632 PolarHBondContact O-N 2.77Å; K629-L633 WeakPolarHBondContact O-CG 3.34Å; K629-L633 PolarHBondContact O-N 3.4Å; K629-L633 VanDerWaalsContact O-N 3.1Å |
| 630 | E | 86.3 | Confident | 84.9 | Confident | 13 Ų | 13 | 57.8 Ų | 57.8 | 6% | 0.061 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -71.4 | -35.5 | -179.1 | -61.2 | -59.9 | 146 | 0 | 0 | 111.9 | R570 L571 L585 I626 L627 L633 A634 | R570-E630 IonicContact NH1-OE1 3.42Å; R570-E630 PolarHBondContact NH1-OE1 3.34Å; L571-E630 HydrophobicContact CD2-CG 4.35Å; L585-E630 HydrophobicContact CD1-CB 3.79Å; I626-E630 WeakPolarHBondContact O-CG 3.23Å; I626-E630 PolarHBondContact O-N 3.19Å; I626-E630 VanDerWaalsContact O-N 3.08Å; L627-E630 PolarHBondContact O-N 3.34Å; E630-L633 PolarHBondContact O-N 2.87Å; E630-A634 PolarHBondContact O-N 3.28Å |
| 631 | L | 90.1 | Very high | 85 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.1 | -40.4 | 172.3 | -75.7 | 172.4 | 0 | 0 | 0 | 112.6 | V581 F584 L585 F608 C611 L612 A615 L627 F628 L633 A634 M635 | V581-L631 HydrophobicContact CG1-CD1 4.21Å; V581-L631 HydrophobicContact CG1-CD2 3.97Å; V581-L631 HydrophobicContact CG1-CG 4.03Å; F584-L631 HydrophobicContact CD1-CD2 4.1Å; F584-L631 HydrophobicContact CE1-CD2 3.87Å; L585-L631 HydrophobicContact CD2-CD2 4.5Å; F608-L631 HydrophobicContact CD2-CD2 3.95Å; F608-L631 HydrophobicContact CE2-CB 3.92Å; F608-L631 HydrophobicContact CE2-CD2 3.74Å; F608-L631 HydrophobicContact CE2-CG 4.4Å; F608-L631 WeakPolarHBondContact CE2-O 3.28Å; F608-L631 HydrophobicContact CZ-CB 4.34Å; C611-L631 HydrophobicContact CB-CD2 3.97Å; L612-L631 HydrophobicContact CD1-CD1 4.28Å; A615-L631 HydrophobicContact CB-CD1 3.74Å; L627-L631 WeakPolarHBondContact O-CB 3.25Å; L627-L631 WeakPolarHBondContact O-CG 3.46Å; L627-L631 PolarHBondContact O-N 2.8Å; F628-L631 PolarHBondContact O-N 2.95Å; L631-L633 VanDerWaalsContact C-N 3.35Å; L631-A634 PolarHBondContact O-N 3.12Å; L631-M635 PolarHBondContact O-N 3.38Å |
| 632 | N | 86.8 | Confident | 85.3 | Confident | 72 Ų | 72 | 55.8 Ų | 55.8 | 39% | 0.385 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -63.6 | -41.1 | 175.2 | -74.7 | -28.1 | 0 | 0 | 0 | 111.6 | F628 K629 A634 M635 D636 | F628-N632 WeakPolarHBondContact O-CB 3.33Å; F628-N632 PolarHBondContact O-N 3.39Å; F628-N632 PolarHBondContact O-ND2 2.81Å; F628-N632 VanDerWaalsContact O-ND2 3.16Å; K629-N632 PolarHBondContact O-N 2.77Å; N632-A634 VanDerWaalsContact C-N 3.31Å; N632-A634 PolarHBondContact O-N 2.85Å; N632-M635 HydrophobicContact CB-CE 4.5Å; N632-M635 WeakPolarHBondContact O-CB 3.37Å; N632-M635 PolarHBondContact O-N 3.15Å; N632-M635 WeakPolarHBondContact OD1-CE 3.33Å; N632-D636 PolarHBondContact O-N 3.08Å |
| 633 | L | 87.8 | Confident | 85.2 | Confident | 75 Ų | 75 | 52 Ų | 52 | 39% | 0.393 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.8 | -39.7 | 173.9 | -71.6 | 170.9 | 0 | 0 | 0 | 112.2 | K629 E630 L631 M635 K637 | K629-L633 WeakPolarHBondContact O-CG 3.34Å; K629-L633 PolarHBondContact O-N 3.4Å; K629-L633 VanDerWaalsContact O-N 3.1Å; E630-L633 PolarHBondContact O-N 2.87Å; L631-L633 VanDerWaalsContact C-N 3.35Å; L633-M635 VanDerWaalsContact C-N 3.35Å; L633-K637 WeakPolarHBondContact O-CB 3.39Å; L633-K637 PolarHBondContact O-N 3.5Å |
| 634 | A | 89.6 | Confident | 84.9 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.4 | -38.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L585 F588 Y589 F604 E630 L631 N632 K637 A638 | L585-A634 HydrophobicContact CD2-CB 3.67Å; F588-A634 HydrophobicContact CD1-CB 4.21Å; F588-A634 HydrophobicContact CE1-CB 4.06Å; Y589-A634 HydrophobicContact CE2-CB 4.49Å; F604-A634 HydrophobicContact CE2-CB 4.01Å; E630-A634 PolarHBondContact O-N 3.28Å; L631-A634 PolarHBondContact O-N 3.12Å; N632-A634 VanDerWaalsContact C-N 3.31Å; N632-A634 PolarHBondContact O-N 2.85Å; A634-K637 PolarHBondContact O-N 3.17Å; A634-A638 WeakPolarHBondContact O-CB 3.48Å; A634-A638 PolarHBondContact O-N 2.9Å |
| 635 | M | 90.2 | Very high | 84.6 | Confident | 61 Ų | 61 | 51.6 Ų | 51.6 | 30% | 0.3 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63.8 | -48.8 | 175.5 | 179.8 | 168.9 | 44.3 | 0 | 0 | 112.1 | F604 F608 L631 N632 L633 K637 A638 E639 | F604-M635 HydrophobicContact CZ-CB 3.93Å; F604-M635 HydrophobicContact CZ-CG 4.39Å; F608-M635 HydrophobicContact CE1-SD 4.31Å; F608-M635 HydrophobicContact CE2-CB 4.28Å; F608-M635 HydrophobicContact CZ-CB 4.05Å; F608-M635 HydrophobicContact CZ-CE 4.4Å; F608-M635 HydrophobicContact CZ-SD 4.19Å; L631-M635 PolarHBondContact O-N 3.38Å; N632-M635 HydrophobicContact CB-CE 4.5Å; N632-M635 WeakPolarHBondContact O-CB 3.37Å; N632-M635 PolarHBondContact O-N 3.15Å; N632-M635 WeakPolarHBondContact OD1-CE 3.33Å; L633-M635 VanDerWaalsContact C-N 3.35Å; M635-K637 PolarHBondContact O-N 3.41Å; M635-A638 PolarHBondContact O-N 3.3Å; M635-A638 VanDerWaalsContact O-N 3.08Å; M635-E639 PolarHBondContact O-N 3.21Å |
| 636 | D | 86.8 | Confident | 84.2 | Confident | 80 Ų | 80 | 52 Ų | 52 | 43% | 0.428 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -56.4 | -39.8 | 174.6 | -70.1 | -15.8 | 0 | 0 | 0 | 110.9 | N632 E639 Q640 | N632-D636 PolarHBondContact O-N 3.08Å; D636-E639 PolarHBondContact O-N 3.3Å; D636-Q640 VanDerWaalsContact O-CG 3.28Å; D636-Q640 WeakPolarHBondContact O-CG 3.38Å; D636-Q640 PolarHBondContact O-N 3.25Å; D636-Q640 VanDerWaalsContact O-N 3.08Å |
| 637 | K | 86.8 | Confident | 82.7 | Confident | 16 Ų | 16 | 54 Ų | 54 | 7% | 0.07 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -68.7 | -40.2 | 177.5 | -158.5 | 70.3 | 176.3 | -175.4 | 0 | 112.2 | G561 L562 F588 Y589 I592 L633 A634 M635 Q640 L641 | G561-K637 PolarHBondContact O-NZ 3.12Å; G561-K637 VanDerWaalsContact O-NZ 3.12Å; L562-K637 WeakPolarHBondContact O-CE 3.49Å; L562-K637 PolarHBondContact O-NZ 3.12Å; F588-K637 HydrophobicContact CE1-CB 4.39Å; Y589-K637 HydrophobicContact CE1-CG 4.37Å; I592-K637 HydrophobicContact CD1-CG 4.11Å; L633-K637 WeakPolarHBondContact O-CB 3.39Å; L633-K637 PolarHBondContact O-N 3.5Å; A634-K637 PolarHBondContact O-N 3.17Å; M635-K637 PolarHBondContact O-N 3.41Å; K637-Q640 PolarHBondContact O-N 3.31Å; K637-L641 VanDerWaalsContact O-CG 3.31Å; K637-L641 WeakPolarHBondContact O-CG 3.45Å; K637-L641 PolarHBondContact O-N 2.74Å |
| 638 | A | 88.5 | Confident | 80.7 | Confident | 6 Ų | 6 | 56.9 Ų | 56.9 | 5% | 0.05 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.6 | -39.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | F588 L601 F604 A634 M635 L641 K642 | F588-A638 HydrophobicContact CZ-CB 4.12Å; L601-A638 HydrophobicContact CD2-CB 4.11Å; L601-A638 VanDerWaalsContact CD2-O 3.29Å; L601-A638 WeakPolarHBondContact CD2-O 3.25Å; F604-A638 HydrophobicContact CD1-CB 3.64Å; F604-A638 HydrophobicContact CD2-CB 3.86Å; F604-A638 HydrophobicContact CE1-CB 3.72Å; F604-A638 HydrophobicContact CE2-CB 3.95Å; F604-A638 HydrophobicContact CG-CB 3.73Å; F604-A638 HydrophobicContact CZ-CB 3.89Å; A634-A638 WeakPolarHBondContact O-CB 3.48Å; A634-A638 PolarHBondContact O-N 2.9Å; M635-A638 PolarHBondContact O-N 3.3Å; M635-A638 VanDerWaalsContact O-N 3.08Å; A638-L641 PolarHBondContact O-N 2.96Å; A638-K642 WeakPolarHBondContact O-CB 3.44Å; A638-K642 PolarHBondContact O-N 2.81Å |
| 639 | E | 86.1 | Confident | 78.3 | Confident | 128 Ų | 128 | 56.5 Ų | 56.5 | 60% | 0.598 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -63.8 | -43.5 | 174.3 | -73 | -169 | 167.8 | 0 | 0 | 112.2 | M635 D636 L641 K642 A643 | M635-E639 PolarHBondContact O-N 3.21Å; D636-E639 PolarHBondContact O-N 3.3Å; E639-L641 VanDerWaalsContact C-N 3.32Å; E639-L641 PolarHBondContact O-N 2.75Å; E639-K642 PolarHBondContact O-N 2.73Å; E639-A643 WeakPolarHBondContact O-CB 3.4Å; E639-A643 PolarHBondContact O-N 3.24Å |
| 640 | Q | 82.8 | Confident | 75.8 | Confident | 89 Ų | 89 | 59.2 Ų | 59.2 | 42% | 0.416 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -58.4 | -43.6 | 173.5 | -71.2 | 168 | 29.1 | 0 | 0 | 111.8 | L562 D636 K637 A643 N644 | L562-Q640 HydrophobicContact CD2-CB 4.18Å; D636-Q640 VanDerWaalsContact O-CG 3.28Å; D636-Q640 WeakPolarHBondContact O-CG 3.38Å; D636-Q640 PolarHBondContact O-N 3.25Å; D636-Q640 VanDerWaalsContact O-N 3.08Å; K637-Q640 PolarHBondContact O-N 3.31Å; Q640-A643 PolarHBondContact O-N 3.36Å; Q640-N644 WeakPolarHBondContact O-CB 3.37Å; Q640-N644 VanDerWaalsContact O-CG 3.25Å; Q640-N644 PolarHBondContact O-N 3.01Å; Q640-N644 VanDerWaalsContact O-N 3.07Å; Q640-N644 PolarHBondContact O-ND2 2.92Å |
| 641 | L | 85.4 | Confident | 73.2 | Confident | 1 Ų | 1 | 66.8 Ų | 66.8 | 1% | 0.005 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63.4 | -43.1 | 176.8 | -74 | 169.5 | 0 | 0 | 0 | 112.1 | L562 F588 I592 L597 L601 K637 A638 E639 N644 L645 | L562-L641 HydrophobicContact CB-CD2 4.45Å; L562-L641 HydrophobicContact CD1-CD2 3.73Å; L562-L641 HydrophobicContact CD2-CD2 4.4Å; L562-L641 HydrophobicContact CG-CD2 4.41Å; F588-L641 HydrophobicContact CE2-CD1 4.47Å; F588-L641 HydrophobicContact CZ-CD1 4.23Å; I592-L641 HydrophobicContact CD1-CD1 3.76Å; I592-L641 HydrophobicContact CG1-CD1 3.92Å; L597-L641 HydrophobicContact CB-CD2 4.33Å; L597-L641 HydrophobicContact CD1-CD2 4.17Å; L597-L641 HydrophobicContact CD2-CD2 3.8Å; L597-L641 HydrophobicContact CG-CD2 4.31Å; L601-L641 HydrophobicContact CD1-CB 4.33Å; L601-L641 HydrophobicContact CD2-CB 3.82Å; L601-L641 HydrophobicContact CG-CB 4.06Å; K637-L641 VanDerWaalsContact O-CG 3.31Å; K637-L641 WeakPolarHBondContact O-CG 3.45Å; K637-L641 PolarHBondContact O-N 2.74Å; A638-L641 PolarHBondContact O-N 2.96Å; E639-L641 VanDerWaalsContact C-N 3.32Å; E639-L641 PolarHBondContact O-N 2.75Å; L641-N644 PolarHBondContact O-N 3.47Å; L641-L645 PolarHBondContact O-N 3.36Å |
| 642 | K | 83.5 | Confident | 70.3 | Confident | 108 Ų | 108 | 74.6 Ų | 74.6 | 47% | 0.47 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -64.9 | -42.6 | 178.8 | -172.8 | 179.1 | -180 | -178.3 | 0 | 111.6 | L601 A638 E639 N644 L645 N646 | L601-K642 HydrophobicContact CD1-CB 4.19Å; L601-K642 HydrophobicContact CD2-CB 4.37Å; A638-K642 WeakPolarHBondContact O-CB 3.44Å; A638-K642 PolarHBondContact O-N 2.81Å; E639-K642 PolarHBondContact O-N 2.73Å; K642-N644 VanDerWaalsContact C-N 3.33Å; K642-N644 PolarHBondContact O-N 3.2Å; K642-L645 PolarHBondContact O-N 2.97Å; K642-N646 WeakPolarHBondContact O-CB 3.43Å; K642-N646 PolarHBondContact O-N 3.33Å |
| 643 | A | 77 | Confident | 67.5 | Low | 53 Ų | 53 | 77.2 Ų | 77.2 | 44% | 0.438 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -59.6 | -45.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | E639 Q640 L645 N646 C647 | E639-A643 WeakPolarHBondContact O-CB 3.4Å; E639-A643 PolarHBondContact O-N 3.24Å; Q640-A643 PolarHBondContact O-N 3.36Å; A643-L645 PolarHBondContact O-N 2.94Å; A643-N646 PolarHBondContact O-N 3.49Å; A643-C647 PolarHBondContact O-N 2.94Å; A643-C647 VanDerWaalsContact O-N 3.09Å; A643-C647 PolarHBondContact O-SG 3.23Å |
| 644 | N | 72 | Confident | 64.6 | Low | 44 Ų | 44 | 76.6 Ų | 76.6 | 24% | 0.235 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -66.5 | -38.1 | -179.5 | -70.4 | -11.9 | 0 | 0 | 0 | 112.8 | L562 Q640 L641 K642 N648 | L562-N644 WeakPolarHBondContact CD1-ND2 3.47Å; Q640-N644 WeakPolarHBondContact O-CB 3.37Å; Q640-N644 VanDerWaalsContact O-CG 3.25Å; Q640-N644 PolarHBondContact O-N 3.01Å; Q640-N644 VanDerWaalsContact O-N 3.07Å; Q640-N644 PolarHBondContact O-ND2 2.92Å; L641-N644 PolarHBondContact O-N 3.47Å; K642-N644 VanDerWaalsContact C-N 3.33Å; K642-N644 PolarHBondContact O-N 3.2Å; N644-N648 PolarHBondContact O-N 3.32Å |
| 645 | L | 76.7 | Confident | 61.8 | Low | 41 Ų | 41 | 85.2 Ų | 85.2 | 22% | 0.215 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -74.8 | -33.1 | 177.7 | -75.4 | 164.3 | 0 | 0 | 0 | 113.2 | L597 L601 L641 K642 A643 N648 S649 | L597-L645 HydrophobicContact CB-CD1 4.18Å; L601-L645 HydrophobicContact CD1-CD1 3.45Å; L601-L645 VanDerWaalsContact CD1-CD1 3.45Å; L601-L645 HydrophobicContact CG-CD1 4.37Å; L641-L645 PolarHBondContact O-N 3.36Å; K642-L645 PolarHBondContact O-N 2.97Å; A643-L645 PolarHBondContact O-N 2.94Å; L645-N648 PolarHBondContact O-N 3.48Å; L645-S649 PolarHBondContact O-N 3.22Å; L645-S649 PolarHBondContact O-OG 3.01Å |
| 646 | N | 71 | Confident | 58.9 | Low | 89 Ų | 89 | 90.2 Ų | 90.2 | 48% | 0.476 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -69.6 | -35.4 | 174.8 | -81.8 | -2.2 | 0 | 0 | 0 | 112.4 | K642 A643 N648 S649 K650 | K642-N646 WeakPolarHBondContact O-CB 3.43Å; K642-N646 PolarHBondContact O-N 3.33Å; A643-N646 PolarHBondContact O-N 3.49Å; N646-N648 PolarHBondContact O-N 3.06Å; N646-S649 WeakPolarHBondContact CA-OG 3.46Å; N646-S649 PolarHBondContact O-N 3.47Å; N646-S649 PolarHBondContact O-OG 3.34Å; N646-K650 PolarHBondContact O-N 3.13Å |
| 647 | C | 52.8 | Low | 56.2 | Low | 76 Ų | 76 | 94.5 Ų | 94.5 | 51% | 0.514 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.5 | -37.2 | 172 | -72.4 | 0 | 0 | 0 | 0 | 111.6 | A643 M651 | A643-C647 PolarHBondContact O-N 2.94Å; A643-C647 VanDerWaalsContact O-N 3.09Å; A643-C647 PolarHBondContact O-SG 3.23Å; C647-M651 PolarHBondContact O-N 2.91Å |
| 648 | N | 42.5 | Very low | 53.4 | Low | 61 Ų | 61 | 99.7 Ų | 99.7 | 33% | 0.326 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -72.1 | -30.9 | 177.7 | -72.4 | -7.3 | 0 | 0 | 0 | 113.4 | N644 L645 N646 | N644-N648 PolarHBondContact O-N 3.32Å; L645-N648 PolarHBondContact O-N 3.48Å; N646-N648 PolarHBondContact O-N 3.06Å |
| 649 | S | 35.7 | Very low | 50.4 | Low | 51 Ų | 51 | 103.9 Ų | 103.9 | 36% | 0.357 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -80.3 | -32.9 | 178.4 | 31.6 | 0 | 0 | 0 | 0 | 112.9 | L645 N646 M651 M652 I653 | L645-S649 PolarHBondContact O-N 3.22Å; L645-S649 PolarHBondContact O-OG 3.01Å; N646-S649 WeakPolarHBondContact CA-OG 3.46Å; N646-S649 PolarHBondContact O-N 3.47Å; N646-S649 PolarHBondContact O-OG 3.34Å; S649-M651 VanDerWaalsContact C-N 3.27Å; S649-M651 PolarHBondContact O-N 3.39Å; S649-M652 PolarHBondContact O-N 3.29Å; S649-I653 PolarHBondContact O-N 2.9Å |
| 650 | K | 34.2 | Very low | 47.6 | Very low | 180 Ų | 180 | 103.2 Ų | 103.2 | 78% | 0.783 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -65.2 | -26.5 | 172.1 | -85.8 | -168.3 | 172.9 | -168.4 | 0 | 113.8 | N646 M652 | N646-K650 PolarHBondContact O-N 3.13Å; K650-M652 VanDerWaalsContact C-N 3.26Å; K650-M652 PolarHBondContact O-N 3Å |
| 651 | M | 31.3 | Very low | 44.9 | Very low | 171 Ų | 171 | 108.2 Ų | 108.2 | 84% | 0.842 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.8 | -14.1 | 171.2 | -72.7 | -159.5 | 78.2 | 0 | 0 | 113.7 | C647 S649 | C647-M651 PolarHBondContact O-N 2.91Å; S649-M651 VanDerWaalsContact C-N 3.27Å; S649-M651 PolarHBondContact O-N 3.39Å |
| 652 | M | 28.9 | Very low | 42.1 | Very low | 164 Ų | 164 | 117.3 Ų | 117.3 | 81% | 0.808 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.8 | -20.9 | -178.3 | -72.6 | -75.7 | -81.7 | 0 | 0 | 113.7 | S649 K650 G654 | S649-M652 PolarHBondContact O-N 3.29Å; K650-M652 VanDerWaalsContact C-N 3.26Å; K650-M652 PolarHBondContact O-N 3Å; M652-G654 PolarHBondContact O-N 2.75Å |
| 653 | I | 27.1 | Very low | 39.3 | Very low | 128 Ų | 128 | 120 Ų | 120 | 66% | 0.656 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -94.5 | 83.1 | 177.2 | -50.1 | 169.6 | 0 | 0 | 0 | 107.1 | S649 E655 | S649-I653 PolarHBondContact O-N 2.9Å; I653-E655 PolarHBondContact O-N 2.98Å; I653-E655 VanDerWaalsContact O-N 3.14Å |
| 654 | G | 28.3 | Very low | 37 | Very low | 61 Ų | 61 | 120.9 Ų | 120.9 | 63% | 0.629 | 67% | 0.668 | S | S | * | * | trans | -51.7 | 118.6 | 165.2 | 0 | 0 | 0 | 0 | 0 | 109 | M652 N656 | M652-G654 PolarHBondContact O-N 2.75Å; G654-N656 PolarHBondContact O-N 3.42Å | ||
| 655 | E | 30.2 | Very low | 34.8 | Very low | 182 Ų | 182 | 127.4 Ų | 127.4 | 85% | 0.85 | 70% | 0.697 | S | S | * | * | trans | -61.9 | 83.6 | 168.8 | -69.9 | 176.5 | 164.6 | 0 | 0 | 108 | I653 E657 | I653-E655 PolarHBondContact O-N 2.98Å; I653-E655 VanDerWaalsContact O-N 3.14Å; E655-E657 PolarHBondContact O-N 2.66Å | ||
| 656 | N | 29 | Very low | 32.6 | Very low | 165 Ų | 165 | 134.2 Ų | 134.2 | 88% | 0.882 | 73% | 0.728 | S | S | * | * | trans | -73.1 | 65.3 | 153.2 | -89.4 | -14.1 | 0 | 0 | 0 | 107.3 | G654 | G654-N656 PolarHBondContact O-N 3.42Š| ||
| 657 | E | 29.5 | Very low | 30.6 | Very low | 171 Ų | 171 | 135.7 Ų | 135.7 | 80% | 0.799 | 74% | 0.74 | S | S | * | * | trans | -103.1 | 97.5 | 159.4 | -76.3 | -161.1 | 165.6 | 0 | 0 | 107.9 | E655 S659 | E655-E657 PolarHBondContact O-N 2.66Å; E657-S659 PolarHBondContact O-N 2.9Å | ||
| 658 | S | 28.2 | Very low | 29.6 | Very low | 124 Ų | 124 | 140 Ų | 140 | 87% | 0.867 | 76% | 0.757 | S | S | * | * | trans | -47 | 100.8 | 162.6 | 49.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 659 | S | 27 | Very low | 29 | Very low | 95 Ų | 95 | 143.4 Ų | 143.4 | 66% | 0.664 | 78% | 0.776 | S | S | * | * | trans | -120.7 | 103.2 | 155.2 | 67.2 | 0 | 0 | 0 | 0 | 108.5 | E657 F661 | E657-S659 PolarHBondContact O-N 2.9Å; S659-F661 PolarHBondContact O-N 3.48Å | ||
| 660 | S | 26 | Very low | 28.8 | Very low | 114 Ų | 114 | 149.5 Ų | 149.5 | 80% | 0.797 | 80% | 0.798 | S | S | * | * | trans | -43.5 | 116.3 | 167 | 54.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 661 | F | 26.2 | Very low | 28.8 | Very low | 193 Ų | 193 | 148 Ų | 148 | 85% | 0.846 | 80% | 0.799 | S | S | * | * | trans | -123 | 117.7 | 159 | -104.9 | -91.8 | 0 | 0 | 0 | 108.3 | S659 | S659-F661 PolarHBondContact O-N 3.48Š| ||
| 662 | Q | 26.6 | Very low | 29.3 | Very low | 193 Ų | 193 | 145 Ų | 145 | 90% | 0.902 | 79% | 0.792 | S | S | * | * | trans | -62.9 | 135.9 | -173.9 | -75.8 | 169.4 | -51.2 | 0 | 0 | 110.9 | G664 | Q662-G664 PolarHBondContact O-N 2.78Å; Q662-G664 VanDerWaalsContact O-N 3.17Å | ||
| 663 | I | 25 | Very low | 29.4 | Very low | 163 Ų | 163 | 145.9 Ų | 145.9 | 84% | 0.836 | 79% | 0.794 | S | S | * | * | trans | -71.5 | 101.7 | 170.6 | -54.5 | 167.2 | 0 | 0 | 0 | 106.4 | ||||
| 664 | G | 28.4 | Very low | 29.6 | Very low | 73 Ų | 73 | 148.6 Ų | 148.6 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | trans | -95.2 | 103.9 | 163.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | Q662 E666 | Q662-G664 PolarHBondContact O-N 2.78Å; Q662-G664 VanDerWaalsContact O-N 3.17Å; G664-E666 PolarHBondContact O-N 3.07Å | ||
| 665 | E | 26.7 | Very low | 29.5 | Very low | 180 Ų | 180 | 154.9 Ų | 154.9 | 84% | 0.841 | 82% | 0.817 | S | S | * | * | trans | -65.2 | 111.9 | 166.6 | -71.9 | 175.7 | 143.7 | 0 | 0 | 108.9 | ||||
| 666 | E | 29.9 | Very low | 29.6 | Very low | 184 Ų | 184 | 153.6 Ų | 153.6 | 86% | 0.86 | 82% | 0.816 | S | S | * | * | trans | -125.4 | 111.5 | 155.7 | -98.3 | -176.8 | 172.2 | 0 | 0 | 108.5 | G664 | G664-E666 PolarHBondContact O-N 3.07Š| ||
| 667 | V | 30 | Very low | 29.7 | Very low | 121 Ų | 121 | 154.5 Ų | 154.5 | 73% | 0.733 | 82% | 0.815 | S | S | * | * | trans | -68.9 | 119.5 | 174.7 | 175.8 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 668 | L | 30.7 | Very low | 29.7 | Very low | 167 Ų | 167 | 152.1 Ų | 152.1 | 87% | 0.874 | 82% | 0.816 | S | S | * | * | trans | -121.1 | 103.1 | 166.8 | -72 | 176.5 | 0 | 0 | 0 | 108.4 | ||||
| 669 | D | 30.9 | Very low | 29.8 | Very low | 132 Ų | 132 | 154.2 Ų | 154.2 | 71% | 0.706 | 82% | 0.817 | S | S | * | * | trans | -76.7 | 141 | 167.1 | -82.2 | -41.8 | 0 | 0 | 0 | 110.6 | ||||
| 670 | E | 29.9 | Very low | 29.7 | Very low | 178 Ų | 178 | 157 Ų | 157 | 83% | 0.832 | 82% | 0.823 | S | S | * | * | trans | 64.5 | 132.9 | 151.9 | -61 | 179.7 | 175.6 | 0 | 0 | 117.9 | ||||
| 671 | D | 34.9 | Very low | 30 | Very low | 148 Ų | 148 | 163.8 Ų | 163.8 | 79% | 0.791 | 85% | 0.845 | S | S | * | * | cis | -165.8 | 157.8 | 19.3 | -142 | 3.3 | 0 | 0 | 0 | 107.4 | ||||
| 672 | P | 42.2 | Very low | 30.2 | Very low | 109 Ų | 109 | 162.3 Ų | 162.3 | 71% | 0.708 | 85% | 0.845 | S | S | * | * | trans | -96.5 | 119.6 | -166.6 | 35 | -28.5 | 0 | 0 | 0 | 112.5 | ||||
| 673 | Q | 30.8 | Very low | 30.4 | Very low | 182 Ų | 182 | 160.7 Ų | 160.7 | 85% | 0.85 | 84% | 0.842 | S | S | * | * | trans | -140.4 | 122.1 | 160.8 | -73.2 | -161.4 | -26.2 | 0 | 0 | 112.7 | ||||
| 674 | E | 30.9 | Very low | 30.6 | Very low | 186 Ų | 186 | 160.6 Ų | 160.6 | 87% | 0.869 | 84% | 0.843 | S | S | * | * | trans | 70.3 | 80.1 | 150.4 | -64.5 | -176.7 | 161.2 | 0 | 0 | 118.2 | D676 | E674-D676 PolarHBondContact O-N 3.32Š| ||
| 675 | E | 27.4 | Very low | 30.8 | Very low | 193 Ų | 193 | 165.7 Ų | 165.7 | 90% | 0.902 | 85% | 0.848 | S | S | * | * | trans | -65.3 | 112.8 | 148.4 | -69.5 | 179.3 | 146.6 | 0 | 0 | 110.3 | ||||
| 676 | D | 31.6 | Very low | 31 | Very low | 155 Ų | 155 | 164.8 Ų | 164.8 | 83% | 0.829 | 85% | 0.848 | S | S | * | * | trans | -158.9 | 71.1 | 155.3 | -116.3 | -9.6 | 0 | 0 | 0 | 110.6 | E674 | E674-D676 PolarHBondContact O-N 3.32Š| ||
| 677 | Q | 30.3 | Very low | 31.1 | Very low | 183 Ų | 183 | 163.5 Ų | 163.5 | 86% | 0.855 | 85% | 0.848 | S | S | * | * | trans | -164.6 | 62.7 | 161.3 | -111.7 | 164.2 | 66.6 | 0 | 0 | 111.8 | L679 | Q677-L679 PolarHBondContact O-N 3.09Š| ||
| 678 | C | 30.6 | Very low | 31.2 | Very low | 122 Ų | 122 | 166.6 Ų | 166.6 | 82% | 0.824 | 86% | 0.856 | S | S | * | * | trans | -73.7 | 92.8 | 162.2 | -104.4 | 0 | 0 | 0 | 0 | 109.2 | L680 | C678-L680 PolarHBondContact O-N 3.15Å; C678-L680 VanDerWaalsContact O-N 3.07Å | ||
| 679 | L | 29.1 | Very low | 31.2 | Very low | 168 Ų | 168 | 166.5 Ų | 166.5 | 88% | 0.88 | 85% | 0.854 | S | S | * | * | trans | -59.8 | 102.3 | 157.4 | -106.3 | 106.2 | 0 | 0 | 0 | 108.5 | Q677 | Q677-L679 PolarHBondContact O-N 3.09Š| ||
| 680 | L | 26.2 | Very low | 31.3 | Very low | 153 Ų | 153 | 169.4 Ų | 169.4 | 80% | 0.801 | 87% | 0.867 | S | S | * | * | trans | -116.3 | 105.2 | 167 | -100.8 | 160.3 | 0 | 0 | 0 | 108 | C678 | C678-L680 PolarHBondContact O-N 3.15Å; C678-L680 VanDerWaalsContact O-N 3.07Å | ||
| 681 | M | 31.3 | Very low | 31.4 | Very low | 256 Ų | 256 | 168.6 Ų | 168.6 | 100% | 1.261 | 87% | 0.87 | S | S | * | * | trans | -179.9 | 0 | 135.9 | -90.8 | -124.4 | -92.8 | 0 | 0 | 110.7 |
Retrieved 681 of 681 residues in 1028.6 ms
(Link to these results)