| 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 | 31.9 | Very low | 62.4 | Low | 230 Ų | 230 | 95.8 Ų | 95.8 | 100% | 1.133 | 52% | 0.523 | S | S | * | . | 0 | 111.9 | 0 | -77 | 173.7 | -170.9 | 0 | 0 | 107.4 | I3 | M1-I3 VanDerWaalsContact C-N 3.31Å; M1-I3 PolarHBondContact O-N 3.11Å | |||
| 2 | T | 35.8 | Very low | 64.9 | Low | 130 Ų | 130 | 93.1 Ų | 93.1 | 80% | 0.798 | 51% | 0.513 | S | S | * | . | trans | -60 | 107.7 | 151.4 | 38.3 | 0 | 0 | 0 | 0 | 104.5 | T4 | T2-T4 PolarHBondContact O-N 3.35Š| ||
| 3 | I | 42.3 | Very low | 67.1 | Low | 144 Ų | 144 | 93.2 Ų | 93.2 | 74% | 0.738 | 52% | 0.518 | S | S | * | . | trans | -60.8 | 97.8 | 164.4 | -62.3 | 171.3 | 0 | 0 | 0 | 102.5 | M1 P5 | M1-I3 VanDerWaalsContact C-N 3.31Å; M1-I3 PolarHBondContact O-N 3.11Å; I3-P5 VanDerWaalsContact C-N 3.27Å; I3-P5 WeakPolarHBondContact O-CD 3.5Å | ||
| 4 | T | 49.4 | Very low | 69 | Low | 127 Ų | 127 | 88 Ų | 88 | 78% | 0.779 | 49% | 0.488 | S | S | * | . | trans | -66.5 | 101 | 168.5 | -22.7 | 0 | 0 | 0 | 0 | 103 | T2 | T2-T4 PolarHBondContact O-N 3.35Š| ||
| 5 | P | 61.2 | Low | 70.7 | Confident | 26 Ų | 26 | 90.9 Ų | 90.9 | 17% | 0.169 | 50% | 0.502 | C | S | . | . | trans | -70.9 | 142 | -173.3 | 17.7 | -5.7 | 0 | 0 | 0 | 107.2 | I3 I7 W87 | I3-P5 VanDerWaalsContact C-N 3.27Å; I3-P5 WeakPolarHBondContact O-CD 3.5Å; P5-I7 PolarHBondContact O-N 3.09Å; P5-W87 HydrophobicContact CB-CB 3.96Å; P5-W87 HydrophobicContact CB-CD2 3.22Å; P5-W87 HydrophobicContact CB-CE3 3.53Å; P5-W87 HydrophobicContact CB-CG 3.37Å; P5-W87 HydrophobicContact CB-CZ2 4.28Å; P5-W87 HydrophobicContact CB-CZ3 4.2Å; P5-W87 HydrophobicContact CG-CD2 3.07Å; P5-W87 HydrophobicContact CG-CE3 3.44Å; P5-W87 VanDerWaalsContact CG-CE3 3.44Å; P5-W87 HydrophobicContact CG-CG 3.65Å; P5-W87 HydrophobicContact CG-CH2 3.53Å; P5-W87 HydrophobicContact CG-CZ2 3.16Å; P5-W87 HydrophobicContact CG-CZ3 3.67Å | ||
| 6 | F | 66.9 | Low | 72.3 | Confident | 78 Ų | 78 | 87.3 Ų | 87.3 | 34% | 0.342 | 48% | 0.482 | S | S | . | . | trans | -67.3 | 103.6 | -178.4 | -171.9 | -86.2 | 0 | 0 | 0 | 109.2 | P8 F157 | F6-P8 HydrophobicContact CE1-CG 4.44Å; F6-F157 AromaticContact CD1-CD1 3.34Å; F6-F157 HydrophobicContact CD1-CD1 3.34Å; F6-F157 AromaticContact CD1-CE1 3.57Å; F6-F157 HydrophobicContact CD1-CE1 3.57Å; F6-F157 AromaticContact CE1-CD1 3.49Å; F6-F157 HydrophobicContact CE1-CD1 3.49Å; F6-F157 VanDerWaalsContact CE1-CD1 3.49Å; F6-F157 AromaticContact CE1-CE1 3.72Å; F6-F157 HydrophobicContact CE1-CE1 3.72Å; F6-F157 HydrophobicContact CG-CD1 4.26Å | ||
| 7 | I | 71.5 | Confident | 73.5 | Confident | 25 Ų | 25 | 88.6 Ų | 88.6 | 13% | 0.128 | 48% | 0.478 | C | S | . | . | trans | -99.6 | 126.2 | 165 | -57.8 | 168.5 | 0 | 0 | 0 | 105.3 | P5 N9 I11 V13 W87 | P5-I7 PolarHBondContact O-N 3.09Å; I7-N9 PolarHBondContact O-N 3.12Å; I7-I11 HydrophobicContact CG2-CB 3.9Å; I7-I11 HydrophobicContact CG2-CG2 4.1Å; I7-V13 HydrophobicContact CB-CG2 4.32Å; I7-V13 HydrophobicContact CD1-CB 4.47Å; I7-V13 HydrophobicContact CD1-CG1 4.24Å; I7-V13 HydrophobicContact CD1-CG2 3.39Å; I7-V13 HydrophobicContact CG1-CG2 4.47Å; I7-V13 HydrophobicContact CG2-CG2 4.02Å; I7-W87 HydrophobicContact CD1-CE3 4.44Å; I7-W87 HydrophobicContact CD1-CH2 3.74Å; I7-W87 HydrophobicContact CD1-CZ3 3.36Å; I7-W87 HydrophobicContact CG1-CE3 4.15Å; I7-W87 HydrophobicContact CG1-CH2 4.33Å; I7-W87 HydrophobicContact CG1-CZ3 3.5Å | ||
| 8 | P | 76 | Confident | 74.5 | Confident | 7 Ų | 7 | 83.7 Ų | 83.7 | 5% | 0.045 | 45% | 0.451 | C | S | . | . | trans | -51.2 | 135.3 | 172.8 | -24.7 | 32.1 | 0 | 0 | 0 | 110.7 | F6 T10 I11 Y94 | F6-P8 HydrophobicContact CE1-CG 4.44Å; P8-T10 PolarHBondContact O-N 2.78Å; P8-I11 HydrophobicContact CB-CD1 4.2Å; P8-I11 HydrophobicContact CG-CD1 3.95Å; P8-I11 PolarHBondContact O-N 2.64Å; P8-Y94 HydrophobicContact CB-CD1 4.23Å; P8-Y94 HydrophobicContact CB-CD2 4.45Å; P8-Y94 HydrophobicContact CB-CE1 3.85Å; P8-Y94 HydrophobicContact CB-CE2 4.15Å; P8-Y94 HydrophobicContact CG-CD1 3.28Å; P8-Y94 HydrophobicContact CG-CD2 3.98Å; P8-Y94 HydrophobicContact CG-CE1 3.36Å; P8-Y94 HydrophobicContact CG-CE2 4.09Å; P8-Y94 HydrophobicContact CG-CG 3.6Å | ||
| 9 | N | 78.8 | Confident | 75.1 | Confident | 171 Ų | 171 | 86.4 Ų | 86.4 | 91% | 0.914 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -17.2 | -178.9 | -68.9 | -20.9 | 0 | 0 | 0 | 113.6 | I7 I11 | I7-N9 PolarHBondContact O-N 3.12Å; N9-I11 VanDerWaalsContact C-N 3.31Å |
| 10 | T | 83.4 | Confident | 75.3 | Confident | 105 Ų | 105 | 86 Ų | 86 | 64% | 0.644 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -12.8 | 177 | 51.4 | 0 | 0 | 0 | 0 | 113.6 | P8 | P8-T10 PolarHBondContact O-N 2.78Š|
| 11 | I | 89.2 | Confident | 75.3 | Confident | 11 Ų | 11 | 83 Ų | 83 | 6% | 0.056 | 45% | 0.451 | C | S | . | . | S | Bend | trans | -105.6 | 113.7 | 179.9 | -64.4 | 160 | 0 | 0 | 0 | 109.3 | I7 P8 N9 V13 Y94 L105 V108 | I7-I11 HydrophobicContact CG2-CB 3.9Å; I7-I11 HydrophobicContact CG2-CG2 4.1Å; P8-I11 HydrophobicContact CB-CD1 4.2Å; P8-I11 HydrophobicContact CG-CD1 3.95Å; P8-I11 PolarHBondContact O-N 2.64Å; N9-I11 VanDerWaalsContact C-N 3.31Å; I11-V13 PolarHBondContact O-N 2.67Å; I11-Y94 HydrophobicContact CD1-CD2 3.65Å; I11-Y94 HydrophobicContact CD1-CE2 4.36Å; I11-Y94 HydrophobicContact CD1-CG 4.09Å; I11-L105 HydrophobicContact CD1-CD2 3.79Å; I11-L105 HydrophobicContact CD1-CG 4.36Å; I11-L105 HydrophobicContact CG2-CD2 4.15Å; I11-L105 HydrophobicContact CG2-CG 4.21Å; I11-V108 HydrophobicContact CG2-CG2 3.89Å |
| 12 | P | 92.2 | Very high | 77.7 | Confident | 63 Ų | 63 | 78.4 Ų | 78.4 | 41% | 0.409 | 43% | 0.431 | S | S | . | . | trans | -56.8 | 134.4 | 174.7 | -25.1 | 33.4 | 0 | 0 | 0 | 113 | Y106 A107 V108 | P12-Y106 WeakPolarHBondContact CD-O 3.26Å; P12-A107 HydrophobicContact CB-CB 4.28Å; P12-A107 WeakPolarHBondContact O-CA 3.44Å; P12-V108 PolarHBondContact O-N 3.11Å | ||
| 13 | V | 93 | Very high | 80.3 | Confident | 95 Ų | 95 | 73.2 Ų | 73.2 | 58% | 0.576 | 40% | 0.399 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 110.7 | 171.7 | -170.6 | 0 | 0 | 0 | 0 | 108.2 | I7 I11 V108 | I7-V13 HydrophobicContact CB-CG2 4.32Å; I7-V13 HydrophobicContact CD1-CB 4.47Å; I7-V13 HydrophobicContact CD1-CG1 4.24Å; I7-V13 HydrophobicContact CD1-CG2 3.39Å; I7-V13 HydrophobicContact CG1-CG2 4.47Å; I7-V13 HydrophobicContact CG2-CG2 4.02Å; I11-V13 PolarHBondContact O-N 2.67Å; V13-V108 CarbonylContact C-O 3.58Å; V13-V108 WeakPolarHBondContact CA-O 3.48Å |
| 14 | I | 94.5 | Very high | 82.6 | Confident | 20 Ų | 20 | 70.6 Ų | 70.6 | 10% | 0.103 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 120.2 | -172.8 | -57.6 | 158.1 | 0 | 0 | 0 | 108.8 | I16 I30 S33 I34 A107 V108 F109 | I14-I16 HydrophobicContact CG2-CB 4.07Å; I14-I16 HydrophobicContact CG2-CD1 3.75Å; I14-I16 HydrophobicContact CG2-CG1 3.78Å; I14-I16 PolarHBondContact O-N 3.3Å; I14-I30 HydrophobicContact CD1-CG2 3.93Å; I14-I30 HydrophobicContact CG2-CG1 4.12Å; I14-S33 WeakPolarHBondContact CD1-OG 3.45Å; I14-I34 HydrophobicContact CD1-CD1 4.22Å; I14-I34 HydrophobicContact CD1-CG1 3.96Å; I14-A107 HydrophobicContact CD1-CB 3.64Å; I14-V108 PolarHBondContact N-O 3.05Å; I14-F109 HydrophobicContact CB-CB 4.27Å; I14-F109 WeakPolarHBondContact O-CA 3.27Å |
| 15 | D | 94.7 | Very high | 84.6 | Confident | 131 Ų | 131 | 70.3 Ų | 70.3 | 70% | 0.701 | 37% | 0.374 | S | S | * | . | trans | -80.4 | 58.7 | -177.8 | -165.6 | 31.8 | 0 | 0 | 0 | 112.5 | Q110 | D15-Q110 PolarHBondContact OD1-NE2 3.07Š| ||
| 16 | I | 95.3 | Very high | 86.3 | Confident | 34 Ų | 34 | 70.7 Ų | 70.7 | 17% | 0.174 | 37% | 0.374 | C | S | . | . | trans | -130.1 | 136.5 | 178.8 | -63.1 | 177.8 | 0 | 0 | 0 | 108.9 | I14 N26 K29 I30 Q110 | I14-I16 HydrophobicContact CG2-CB 4.07Å; I14-I16 HydrophobicContact CG2-CD1 3.75Å; I14-I16 HydrophobicContact CG2-CG1 3.78Å; I14-I16 PolarHBondContact O-N 3.3Å; I16-N26 HydrophobicContact CG2-CB 3.61Å; I16-K29 HydrophobicContact CD1-CB 3.54Å; I16-K29 HydrophobicContact CD1-CD 4.29Å; I16-I30 HydrophobicContact CB-CD1 4.13Å; I16-I30 HydrophobicContact CB-CG1 3.95Å; I16-I30 HydrophobicContact CD1-CG1 4.06Å; I16-I30 HydrophobicContact CG2-CD1 3.88Å; I16-I30 HydrophobicContact CG2-CG1 3.96Å; I16-Q110 WeakPolarHBondContact O-CB 3.41Å; I16-Q110 PolarHBondContact O-N 2.82Å | ||
| 17 | R | 92.9 | Very high | 87.6 | Confident | 109 Ų | 109 | 67.2 Ų | 67.2 | 41% | 0.411 | 36% | 0.359 | S | S | . | . | trans | -104 | 138.3 | 171.7 | -159.1 | 178.5 | -179.2 | 92.6 | 6.9 | 110.1 | N26 Q110 N111 | R17-N26 PolarHBondContact O-ND2 3.41Å; R17-Q110 HydrophobicContact CB-CB 4.15Å; R17-Q110 HydrophobicContact CG-CB 4.33Å; R17-N111 HydrophobicContact CG-CB 4.3Å; R17-N111 WeakPolarHBondContact CG-OD1 3.32Å | ||
| 18 | I | 91.7 | Very high | 88.7 | Confident | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 36% | 0.361 | C | S | . | . | trans | -97.9 | 122 | 170.5 | -58.2 | -59.9 | 0 | 0 | 0 | 108.3 | D20 D23 N26 I27 I30 I75 F109 N111 | I18-D20 WeakPolarHBondContact CG2-O 3.11Å; I18-D23 HydrophobicContact CG2-CB 4.13Å; I18-N26 VanDerWaalsContact CD1-C 3.44Å; I18-N26 HydrophobicContact CD1-CB 3.5Å; I18-N26 VanDerWaalsContact CD1-CB 3.5Å; I18-I27 HydrophobicContact CD1-CB 4.45Å; I18-I27 HydrophobicContact CD1-CG1 3.8Å; I18-I27 VanDerWaalsContact CD1-N 3.32Å; I18-I27 HydrophobicContact CG2-CG1 4.31Å; I18-I30 HydrophobicContact CD1-CD1 3.56Å; I18-I30 HydrophobicContact CG1-CD1 3.82Å; I18-I75 HydrophobicContact CB-CD1 4.37Å; I18-I75 HydrophobicContact CB-CG1 4.21Å; I18-I75 HydrophobicContact CB-CG2 4.14Å; I18-I75 HydrophobicContact CG2-CD1 3.53Å; I18-I75 HydrophobicContact CG2-CG1 3.91Å; I18-I75 HydrophobicContact CG2-CG2 4.12Å; I18-F109 HydrophobicContact CB-CE2 4.19Å; I18-F109 HydrophobicContact CG1-CD2 4.06Å; I18-F109 HydrophobicContact CG1-CE2 3.57Å; I18-F109 HydrophobicContact CG1-CZ 4.13Å; I18-N111 PolarHBondContact N-OD1 3.38Å; I18-N111 PolarHBondContact O-ND2 2.92Å | ||
| 19 | L | 85.9 | Confident | 89.6 | Confident | 135 Ų | 135 | 72.3 Ų | 72.3 | 71% | 0.707 | 38% | 0.378 | S | S | * | . | trans | -74 | -44.4 | -176.8 | -63.9 | 178.5 | 0 | 0 | 0 | 112.4 | D23 | L19-D23 PolarHBondContact N-OD2 2.81Å; L19-D23 VanDerWaalsContact N-OD2 3.08Å | ||
| 20 | D | 79.6 | Confident | 90.5 | Very high | 79 Ų | 79 | 64.1 Ų | 64.1 | 42% | 0.422 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -157.3 | -179.5 | 177.6 | 59.9 | 47.1 | 0 | 0 | 0 | 110.4 | I18 N22 D23 | I18-D20 WeakPolarHBondContact CG2-O 3.11Å; D20-N22 PolarHBondContact O-N 3.28Å; D20-N22 VanDerWaalsContact O-N 3.09Å; D20-N22 VanDerWaalsContact OD1-CA 3.32Å; D20-N22 WeakPolarHBondContact OD1-CA 3.25Å; D20-N22 VanDerWaalsContact OD1-CB 3.32Å; D20-N22 WeakPolarHBondContact OD1-CB 3.2Å; D20-N22 PolarHBondContact OD1-N 3.46Å; D20-D23 PolarHBondContact O-N 2.69Å; D20-D23 PolarHBondContact OD1-N 2.85Å |
| 21 | G | 74.4 | Confident | 91 | Very high | 22 Ų | 22 | 59.1 Ų | 59.1 | 23% | 0.227 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -9.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 22 | N | 83 | Confident | 91.3 | Very high | 134 Ų | 134 | 62 Ų | 62 | 72% | 0.717 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.7 | 1.2 | -179.8 | -61.4 | -43 | 0 | 0 | 0 | 113.4 | D20 Q24 | D20-N22 PolarHBondContact O-N 3.28Å; D20-N22 VanDerWaalsContact O-N 3.09Å; D20-N22 VanDerWaalsContact OD1-CA 3.32Å; D20-N22 WeakPolarHBondContact OD1-CA 3.25Å; D20-N22 VanDerWaalsContact OD1-CB 3.32Å; D20-N22 WeakPolarHBondContact OD1-CB 3.2Å; D20-N22 PolarHBondContact OD1-N 3.46Å; N22-Q24 PolarHBondContact O-N 3.15Å |
| 23 | D | 89.6 | Confident | 91.5 | Very high | 22 Ų | 22 | 62.1 Ų | 62.1 | 12% | 0.118 | 32% | 0.318 | C | S | . | . | trans | -73.2 | 65.5 | 177.3 | -173 | -3.7 | 0 | 0 | 0 | 111.9 | I18 L19 D20 E25 N26 I27 | I18-D23 HydrophobicContact CG2-CB 4.13Å; L19-D23 PolarHBondContact N-OD2 2.81Å; L19-D23 VanDerWaalsContact N-OD2 3.08Å; D20-D23 PolarHBondContact O-N 2.69Å; D20-D23 PolarHBondContact OD1-N 2.85Å; D23-E25 PolarHBondContact O-N 3.31Å; D23-N26 PolarHBondContact O-N 2.79Å; D23-N26 WeakPolarHBondContact OD1-CB 3.35Å; D23-N26 PolarHBondContact OD1-N 3.06Å; D23-N26 PolarHBondContact OD1-ND2 3.35Å; D23-N26 VanDerWaalsContact OD1-ND2 3.13Å; D23-N26 PolarHBondContact OD2-ND2 2.87Å; D23-I27 WeakPolarHBondContact O-CB 3.36Å; D23-I27 WeakPolarHBondContact O-CD1 3.07Å; D23-I27 WeakPolarHBondContact O-CG1 3.22Å; D23-I27 PolarHBondContact O-N 2.99Å | ||
| 24 | Q | 90.4 | Very high | 91.6 | Very high | 88 Ų | 88 | 59.1 Ų | 59.1 | 41% | 0.411 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61.4 | -28.3 | -174.4 | -68.7 | -62.6 | -39.6 | 0 | 0 | 113.1 | N22 W28 | N22-Q24 PolarHBondContact O-N 3.15Å; Q24-W28 VanDerWaalsContact O-CB 3.32Å; Q24-W28 WeakPolarHBondContact O-CB 3.44Å; Q24-W28 PolarHBondContact O-N 3.26Å; Q24-W28 VanDerWaalsContact O-N 3.13Å |
| 25 | E | 93.2 | Very high | 91.6 | Very high | 122 Ų | 122 | 59.3 Ų | 59.3 | 57% | 0.57 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -67.5 | -53.5 | 178.5 | -171.9 | -174 | 154.6 | 0 | 0 | 110.6 | D23 W28 K29 | D23-E25 PolarHBondContact O-N 3.31Å; E25-W28 PolarHBondContact O-N 2.64Å; E25-K29 WeakPolarHBondContact O-CG 3.4Å; E25-K29 PolarHBondContact O-N 2.79Å; E25-K29 VanDerWaalsContact OE1-CE 3.27Å; E25-K29 WeakPolarHBondContact OE1-CE 3.38Å; E25-K29 IonicContact OE1-NZ 2.67Å; E25-K29 PolarHBondContact OE1-NZ 2.84Å |
| 26 | N | 95.3 | Very high | 91.5 | Very high | 34 Ų | 34 | 57.3 Ų | 57.3 | 18% | 0.182 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -73.1 | -35.1 | -178.1 | -69.6 | -37.3 | 0 | 0 | 0 | 112.2 | I16 R17 I18 D23 W28 K29 I30 | I16-N26 HydrophobicContact CG2-CB 3.61Å; R17-N26 PolarHBondContact O-ND2 3.41Å; I18-N26 VanDerWaalsContact CD1-C 3.44Å; I18-N26 HydrophobicContact CD1-CB 3.5Å; I18-N26 VanDerWaalsContact CD1-CB 3.5Å; D23-N26 PolarHBondContact O-N 2.79Å; D23-N26 WeakPolarHBondContact OD1-CB 3.35Å; D23-N26 PolarHBondContact OD1-N 3.06Å; D23-N26 PolarHBondContact OD1-ND2 3.35Å; D23-N26 VanDerWaalsContact OD1-ND2 3.13Å; D23-N26 PolarHBondContact OD2-ND2 2.87Å; N26-W28 PolarHBondContact O-N 3.34Å; N26-K29 PolarHBondContact O-N 2.83Å; N26-I30 WeakPolarHBondContact O-CG1 3.39Å; N26-I30 PolarHBondContact O-N 3.39Å |
| 27 | I | 94.3 | Very high | 91.4 | Very high | 4 Ų | 4 | 61 Ų | 61 | 2% | 0.021 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -53.5 | -48.2 | 170.2 | -70.4 | 167.2 | 0 | 0 | 0 | 109 | I18 D23 I30 I31 I57 L59 M73 | I18-I27 HydrophobicContact CD1-CB 4.45Å; I18-I27 HydrophobicContact CD1-CG1 3.8Å; I18-I27 VanDerWaalsContact CD1-N 3.32Å; I18-I27 HydrophobicContact CG2-CG1 4.31Å; D23-I27 WeakPolarHBondContact O-CB 3.36Å; D23-I27 WeakPolarHBondContact O-CD1 3.07Å; D23-I27 WeakPolarHBondContact O-CG1 3.22Å; D23-I27 PolarHBondContact O-N 2.99Å; I27-I30 PolarHBondContact O-N 3.13Å; I27-I31 HydrophobicContact CG2-CG1 4.46Å; I27-I31 WeakPolarHBondContact O-CG1 3.36Å; I27-I31 PolarHBondContact O-N 2.98Å; I27-I57 HydrophobicContact CD1-CD1 3.85Å; I27-L59 HydrophobicContact CG2-CD2 4.32Å; I27-M73 HydrophobicContact CB-SD 4.38Å; I27-M73 HydrophobicContact CG1-SD 3.87Å; I27-M73 HydrophobicContact CG2-CE 4.03Å; I27-M73 HydrophobicContact CG2-SD 4.12Å |
| 28 | W | 94.5 | Very high | 91.4 | Very high | 46 Ų | 46 | 56.3 Ų | 56.3 | 17% | 0.174 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -68.7 | -39 | -178.2 | -171.3 | -119.6 | 0 | 0 | 0 | 114.4 | Q24 E25 N26 I30 I31 K32 W38 S39 K40 I43 | Q24-W28 VanDerWaalsContact O-CB 3.32Å; Q24-W28 WeakPolarHBondContact O-CB 3.44Å; Q24-W28 PolarHBondContact O-N 3.26Å; Q24-W28 VanDerWaalsContact O-N 3.13Å; E25-W28 PolarHBondContact O-N 2.64Å; N26-W28 PolarHBondContact O-N 3.34Å; W28-I30 VanDerWaalsContact C-N 3.27Å; W28-I30 PolarHBondContact O-N 3.08Å; W28-I31 HydrophobicContact CE3-CB 3.95Å; W28-I31 HydrophobicContact CE3-CG2 4.01Å; W28-I31 HydrophobicContact CH2-CG2 4.42Å; W28-I31 HydrophobicContact CZ3-CB 4.06Å; W28-I31 HydrophobicContact CZ3-CG2 3.58Å; W28-I31 PolarHBondContact O-N 3.35Å; W28-K32 HydrophobicContact CD2-CG 4.08Å; W28-K32 HydrophobicContact CG-CG 4.46Å; W28-K32 HydrophobicContact CH2-CD 4.34Å; W28-K32 HydrophobicContact CH2-CG 4.41Å; W28-K32 HydrophobicContact CZ2-CD 3.78Å; W28-K32 VanDerWaalsContact CZ2-CE 3.5Å; W28-K32 HydrophobicContact CZ2-CG 3.75Å; W28-K32 WeakPolarHBondContact O-CB 3.49Å; W28-K32 PolarHBondContact O-N 3.34Å; W28-W38 HydrophobicContact CH2-CB 4.15Å; W28-W38 WeakPolarHBondContact CH2-O 3.26Å; W28-W38 VanDerWaalsContact CZ2-O 3.25Å; W28-W38 WeakPolarHBondContact CZ2-O 3.44Å; W28-S39 VanDerWaalsContact CH2-C 3.49Å; W28-K40 VanDerWaalsContact CB-CE 3.47Å; W28-K40 HydrophobicContact CD2-CD 4.14Å; W28-K40 VanDerWaalsContact CD2-CE 3.47Å; W28-K40 HydrophobicContact CD2-CG 3.51Å; W28-K40 HydrophobicContact CE3-CG 3.86Å; W28-K40 HydrophobicContact CG-CD 4.16Å; W28-K40 HydrophobicContact CG-CG 4.06Å; W28-K40 HydrophobicContact CH2-CG 3.96Å; W28-K40 HydrophobicContact CZ2-CB 4.38Å; W28-K40 HydrophobicContact CZ2-CG 3.57Å; W28-K40 HydrophobicContact CZ3-CG 4.11Å; W28-I43 HydrophobicContact CE3-CD1 4.46Å; W28-I43 HydrophobicContact CH2-CD1 3.66Å; W28-I43 HydrophobicContact CZ3-CD1 3.3Å |
| 29 | K | 95.7 | Very high | 91.5 | Very high | 93 Ų | 93 | 58.3 Ų | 58.3 | 40% | 0.404 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -57.7 | -43.6 | 174.5 | -72.1 | 173.6 | -174.7 | 162.1 | 0 | 111.1 | I16 E25 N26 S33 | I16-K29 HydrophobicContact CD1-CB 3.54Å; I16-K29 HydrophobicContact CD1-CD 4.29Å; E25-K29 WeakPolarHBondContact O-CG 3.4Å; E25-K29 PolarHBondContact O-N 2.79Å; E25-K29 VanDerWaalsContact OE1-CE 3.27Å; E25-K29 WeakPolarHBondContact OE1-CE 3.38Å; E25-K29 IonicContact OE1-NZ 2.67Å; E25-K29 PolarHBondContact OE1-NZ 2.84Å; N26-K29 PolarHBondContact O-N 2.83Å; K29-S33 PolarHBondContact O-N 3.09Å; K29-S33 VanDerWaalsContact O-N 3.11Å |
| 30 | I | 96.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.9 | -52.3 | 175.3 | -68.2 | 168.1 | 0 | 0 | 0 | 110.1 | I14 I16 I18 N26 I27 W28 K32 S33 I34 M73 F109 V114 | I14-I30 HydrophobicContact CD1-CG2 3.93Å; I14-I30 HydrophobicContact CG2-CG1 4.12Å; I16-I30 HydrophobicContact CB-CD1 4.13Å; I16-I30 HydrophobicContact CB-CG1 3.95Å; I16-I30 HydrophobicContact CD1-CG1 4.06Å; I16-I30 HydrophobicContact CG2-CD1 3.88Å; I16-I30 HydrophobicContact CG2-CG1 3.96Å; I18-I30 HydrophobicContact CD1-CD1 3.56Å; I18-I30 HydrophobicContact CG1-CD1 3.82Å; N26-I30 WeakPolarHBondContact O-CG1 3.39Å; N26-I30 PolarHBondContact O-N 3.39Å; I27-I30 PolarHBondContact O-N 3.13Å; W28-I30 VanDerWaalsContact C-N 3.27Å; W28-I30 PolarHBondContact O-N 3.08Å; I30-K32 VanDerWaalsContact C-N 3.34Å; I30-K32 PolarHBondContact O-N 3.26Å; I30-S33 PolarHBondContact O-N 3.21Å; I30-S33 VanDerWaalsContact O-N 3.09Å; I30-S33 PolarHBondContact O-OG 2.97Å; I30-I34 HydrophobicContact CG2-CD1 4Å; I30-I34 WeakPolarHBondContact O-CG1 3.42Å; I30-I34 PolarHBondContact O-N 3.09Å; I30-M73 HydrophobicContact CB-CE 4.17Å; I30-M73 HydrophobicContact CD1-CE 4.5Å; I30-M73 HydrophobicContact CG2-CE 3.81Å; I30-F109 HydrophobicContact CD1-CB 3.82Å; I30-F109 HydrophobicContact CD1-CD1 3.9Å; I30-F109 HydrophobicContact CD1-CD2 3.87Å; I30-F109 HydrophobicContact CD1-CE1 4.38Å; I30-F109 HydrophobicContact CD1-CE2 4.37Å; I30-F109 HydrophobicContact CD1-CG 3.61Å; I30-F109 HydrophobicContact CG1-CB 4.4Å; I30-F109 HydrophobicContact CG2-CD1 4.29Å; I30-V114 HydrophobicContact CG2-CG2 3.86Å |
| 31 | I | 95.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -58.7 | -44.5 | -178.9 | -64.9 | -50 | 0 | 0 | 0 | 112 | I27 W28 S33 I34 F35 W38 I43 L59 I71 M73 V114 | I27-I31 HydrophobicContact CG2-CG1 4.46Å; I27-I31 WeakPolarHBondContact O-CG1 3.36Å; I27-I31 PolarHBondContact O-N 2.98Å; W28-I31 HydrophobicContact CE3-CB 3.95Å; W28-I31 HydrophobicContact CE3-CG2 4.01Å; W28-I31 HydrophobicContact CH2-CG2 4.42Å; W28-I31 HydrophobicContact CZ3-CB 4.06Å; W28-I31 HydrophobicContact CZ3-CG2 3.58Å; W28-I31 PolarHBondContact O-N 3.35Å; I31-S33 VanDerWaalsContact C-N 3.28Å; I31-S33 PolarHBondContact O-N 2.88Å; I31-I34 PolarHBondContact O-N 3.31Å; I31-I34 VanDerWaalsContact O-N 3.15Å; I31-F35 HydrophobicContact CG2-CD2 4.44Å; I31-F35 PolarHBondContact O-N 3.24Å; I31-W38 HydrophobicContact CG2-CD2 4.47Å; I31-W38 HydrophobicContact CG2-CE3 3.59Å; I31-W38 HydrophobicContact CG2-CZ3 4.22Å; I31-I43 HydrophobicContact CG2-CD1 4.49Å; I31-L59 HydrophobicContact CD1-CD2 4.1Å; I31-L59 HydrophobicContact CG1-CD2 3.88Å; I31-I71 HydrophobicContact CD1-CD1 3.48Å; I31-I71 VanDerWaalsContact CD1-CD1 3.48Å; I31-M73 HydrophobicContact CD1-CE 3.81Å; I31-M73 HydrophobicContact CG1-CE 4.22Å; I31-V114 HydrophobicContact CD1-CG1 4.48Å |
| 32 | K | 95.1 | Very high | 93.2 | Very high | 70 Ų | 70 | 64.3 Ų | 64.3 | 30% | 0.304 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -64.5 | -29.5 | 177.5 | -83.8 | -61.8 | -147.4 | -179.6 | 0 | 113.7 | W28 I30 I34 F35 P36 W38 | W28-K32 HydrophobicContact CD2-CG 4.08Å; W28-K32 HydrophobicContact CG-CG 4.46Å; W28-K32 HydrophobicContact CH2-CD 4.34Å; W28-K32 HydrophobicContact CH2-CG 4.41Å; W28-K32 HydrophobicContact CZ2-CD 3.78Å; W28-K32 VanDerWaalsContact CZ2-CE 3.5Å; W28-K32 HydrophobicContact CZ2-CG 3.75Å; W28-K32 WeakPolarHBondContact O-CB 3.49Å; W28-K32 PolarHBondContact O-N 3.34Å; I30-K32 VanDerWaalsContact C-N 3.34Å; I30-K32 PolarHBondContact O-N 3.26Å; K32-I34 VanDerWaalsContact C-N 3.3Å; K32-F35 CarbonylContact O-C 3.59Å; K32-P36 PolarHBondContact NZ-O 3.22Å; K32-P36 VanDerWaalsContact O-CA 3.26Å; K32-P36 WeakPolarHBondContact O-CA 2.99Å; K32-W38 WeakPolarHBondContact CD-O 3.38Å; K32-W38 WeakPolarHBondContact CE-O 3.41Å; K32-W38 PolarHBondContact NZ-O 3.13Å |
| 33 | S | 95.5 | Very high | 93.7 | Very high | 66 Ų | 66 | 59 Ų | 59 | 46% | 0.462 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -70.1 | -29 | 175.6 | 74.7 | 0 | 0 | 0 | 0 | 112.9 | I14 K29 I30 I31 | I14-S33 WeakPolarHBondContact CD1-OG 3.45Å; K29-S33 PolarHBondContact O-N 3.09Å; K29-S33 VanDerWaalsContact O-N 3.11Å; I30-S33 PolarHBondContact O-N 3.21Å; I30-S33 VanDerWaalsContact O-N 3.09Å; I30-S33 PolarHBondContact O-OG 2.97Å; I31-S33 VanDerWaalsContact C-N 3.28Å; I31-S33 PolarHBondContact O-N 2.88Å |
| 34 | I | 95.1 | Very high | 93.9 | Very high | 32 Ų | 32 | 65.6 Ų | 65.6 | 16% | 0.164 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -90.4 | -42.7 | 179.9 | -54 | 167.5 | 0 | 0 | 0 | 110.6 | I14 I30 I31 K32 P36 A107 V114 | I14-I34 HydrophobicContact CD1-CD1 4.22Å; I14-I34 HydrophobicContact CD1-CG1 3.96Å; I30-I34 HydrophobicContact CG2-CD1 4Å; I30-I34 WeakPolarHBondContact O-CG1 3.42Å; I30-I34 PolarHBondContact O-N 3.09Å; I31-I34 PolarHBondContact O-N 3.31Å; I31-I34 VanDerWaalsContact O-N 3.15Å; K32-I34 VanDerWaalsContact C-N 3.3Å; I34-P36 WeakPolarHBondContact O-CD 3.49Å; I34-A107 HydrophobicContact CD1-CB 3.47Å; I34-A107 VanDerWaalsContact CD1-CB 3.47Å; I34-A107 HydrophobicContact CG1-CB 3.74Å; I34-V114 HydrophobicContact CD1-CB 3.76Å; I34-V114 HydrophobicContact CD1-CG1 3.82Å; I34-V114 HydrophobicContact CD1-CG2 3.83Å |
| 35 | F | 94.6 | Very high | 94 | Very high | 25 Ų | 25 | 64.4 Ų | 64.4 | 11% | 0.11 | 32% | 0.321 | C | S | . | . | trans | -126.4 | 78.4 | -176.4 | -53.6 | -72.2 | 0 | 0 | 0 | 110.2 | I31 K32 T37 W38 K69 I71 Y106 | I31-F35 HydrophobicContact CG2-CD2 4.44Å; I31-F35 PolarHBondContact O-N 3.24Å; K32-F35 CarbonylContact O-C 3.59Å; F35-T37 PolarHBondContact O-N 2.77Å; F35-T37 VanDerWaalsContact O-N 3.11Å; F35-W38 HydrophobicContact CB-CB 4.1Å; F35-W38 HydrophobicContact CB-CD2 3.54Å; F35-W38 HydrophobicContact CB-CE3 4.17Å; F35-W38 HydrophobicContact CB-CG 3.47Å; F35-W38 VanDerWaalsContact CB-CG 3.47Å; F35-W38 HydrophobicContact CD1-CZ2 4.22Å; F35-W38 HydrophobicContact CD2-CD2 4.07Å; F35-W38 AromaticContact CD2-CE3 4Å; F35-W38 HydrophobicContact CD2-CE3 4Å; F35-W38 HydrophobicContact CD2-CH2 4.1Å; F35-W38 HydrophobicContact CD2-CZ2 4.14Å; F35-W38 HydrophobicContact CD2-CZ3 4.02Å; F35-W38 HydrophobicContact CE1-CZ2 4.44Å; F35-W38 HydrophobicContact CE2-CH2 4.17Å; F35-W38 HydrophobicContact CE2-CZ2 4.37Å; F35-W38 HydrophobicContact CE2-CZ3 4.39Å; F35-W38 AromaticContact CG-CD2 3.84Å; F35-W38 HydrophobicContact CG-CD2 3.84Å; F35-W38 AromaticContact CG-CE2 3.72Å; F35-W38 HydrophobicContact CG-CE3 4.25Å; F35-W38 HydrophobicContact CG-CG 4.28Å; F35-W38 HydrophobicContact CG-CH2 4.47Å; F35-W38 HydrophobicContact CG-CZ2 4.06Å; F35-W38 WeakPolarHBondContact O-CB 3.49Å; F35-W38 PolarHBondContact O-N 3.17Å; F35-W38 VanDerWaalsContact O-N 3.12Å; F35-K69 HydrophobicContact CE1-CD 4.32Å; F35-I71 HydrophobicContact CD2-CD1 4.34Å; F35-I71 HydrophobicContact CE2-CD1 3.83Å; F35-I71 HydrophobicContact CE2-CG2 4.13Å; F35-I71 HydrophobicContact CZ-CG2 4.16Å; F35-Y106 HydrophobicContact CZ-CD1 4.06Å; F35-Y106 HydrophobicContact CZ-CD2 4.08Å; F35-Y106 HydrophobicContact CZ-CE1 4.17Å; F35-Y106 HydrophobicContact CZ-CE2 4.2Å; F35-Y106 HydrophobicContact CZ-CG 4.02Å | ||
| 36 | P | 93.9 | Very high | 93.9 | Very high | 89 Ų | 89 | 64.5 Ų | 64.5 | 58% | 0.578 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -28.4 | -174.8 | -26.8 | 35.4 | 0 | 0 | 0 | 114.5 | K32 I34 | K32-P36 PolarHBondContact NZ-O 3.22Å; K32-P36 VanDerWaalsContact O-CA 3.26Å; K32-P36 WeakPolarHBondContact O-CA 2.99Å; I34-P36 WeakPolarHBondContact O-CD 3.49Å |
| 37 | T | 92 | Very high | 93.7 | Very high | 111 Ų | 111 | 67.2 Ų | 67.2 | 68% | 0.681 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | -15.3 | -178.3 | 56.8 | 0 | 0 | 0 | 0 | 114.1 | F35 | F35-T37 PolarHBondContact O-N 2.77Å; F35-T37 VanDerWaalsContact O-N 3.11Å |
| 38 | W | 93.8 | Very high | 93.3 | Very high | 11 Ų | 11 | 69.3 Ų | 69.3 | 4% | 0.042 | 35% | 0.351 | C | S | . | . | trans | -71.5 | 139.7 | -176.1 | -77.2 | 16.4 | 0 | 0 | 0 | 112.6 | W28 I31 K32 F35 I43 H61 K69 I71 | W28-W38 HydrophobicContact CH2-CB 4.15Å; W28-W38 WeakPolarHBondContact CH2-O 3.26Å; W28-W38 VanDerWaalsContact CZ2-O 3.25Å; W28-W38 WeakPolarHBondContact CZ2-O 3.44Å; I31-W38 HydrophobicContact CG2-CD2 4.47Å; I31-W38 HydrophobicContact CG2-CE3 3.59Å; I31-W38 HydrophobicContact CG2-CZ3 4.22Å; K32-W38 WeakPolarHBondContact CD-O 3.38Å; K32-W38 WeakPolarHBondContact CE-O 3.41Å; K32-W38 PolarHBondContact NZ-O 3.13Å; F35-W38 HydrophobicContact CB-CB 4.1Å; F35-W38 HydrophobicContact CB-CD2 3.54Å; F35-W38 HydrophobicContact CB-CE3 4.17Å; F35-W38 HydrophobicContact CB-CG 3.47Å; F35-W38 VanDerWaalsContact CB-CG 3.47Å; F35-W38 HydrophobicContact CD1-CZ2 4.22Å; F35-W38 HydrophobicContact CD2-CD2 4.07Å; F35-W38 AromaticContact CD2-CE3 4Å; F35-W38 HydrophobicContact CD2-CE3 4Å; F35-W38 HydrophobicContact CD2-CH2 4.1Å; F35-W38 HydrophobicContact CD2-CZ2 4.14Å; F35-W38 HydrophobicContact CD2-CZ3 4.02Å; F35-W38 HydrophobicContact CE1-CZ2 4.44Å; F35-W38 HydrophobicContact CE2-CH2 4.17Å; F35-W38 HydrophobicContact CE2-CZ2 4.37Å; F35-W38 HydrophobicContact CE2-CZ3 4.39Å; F35-W38 AromaticContact CG-CD2 3.84Å; F35-W38 HydrophobicContact CG-CD2 3.84Å; F35-W38 AromaticContact CG-CE2 3.72Å; F35-W38 HydrophobicContact CG-CE3 4.25Å; F35-W38 HydrophobicContact CG-CG 4.28Å; F35-W38 HydrophobicContact CG-CH2 4.47Å; F35-W38 HydrophobicContact CG-CZ2 4.06Å; F35-W38 WeakPolarHBondContact O-CB 3.49Å; F35-W38 PolarHBondContact O-N 3.17Å; F35-W38 VanDerWaalsContact O-N 3.12Å; W38-I43 HydrophobicContact CB-CD1 4.25Å; W38-I43 HydrophobicContact CD2-CD1 4.39Å; W38-I43 HydrophobicContact CE3-CD1 3.64Å; W38-I43 HydrophobicContact CE3-CG1 4.32Å; W38-I43 HydrophobicContact CZ3-CD1 4.33Å; W38-H61 AromaticContact CD1-CD2 3.68Å; W38-H61 AromaticContact CD1-CE1 3.79Å; W38-H61 AromaticContact CD1-NE2 3.51Å; W38-H61 HydrophobicContact CD2-CB 3.91Å; W38-H61 AromaticContact CD2-CD2 3.52Å; W38-H61 AromaticContact CD2-CG 3.68Å; W38-H61 AromaticContact CE2-CD2 3.8Å; W38-H61 AromaticContact CE2-CG 3.51Å; W38-H61 AromaticContact CE2-ND1 3.88Å; W38-H61 HydrophobicContact CE3-CB 3.9Å; W38-H61 AromaticContact CG-CD2 3.46Å; W38-H61 VanDerWaalsContact CG-CD2 3.46Å; W38-H61 AromaticContact CG-NE2 3.69Å; W38-H61 HydrophobicContact CH2-CB 3.5Å; W38-H61 HydrophobicContact CZ2-CB 3.52Å; W38-H61 AromaticContact CZ2-CG 3.83Å; W38-H61 HydrophobicContact CZ3-CB 3.7Å; W38-H61 AromaticContact NE1-CD2 3.88Å; W38-H61 AromaticContact NE1-CE1 3.79Å; W38-H61 AromaticContact NE1-CG 3.75Å; W38-H61 AromaticContact NE1-ND1 3.7Å; W38-H61 AromaticContact NE1-NE2 3.91Å; W38-K69 HydrophobicContact CH2-CB 4.44Å; W38-K69 HydrophobicContact CH2-CG 4.35Å; W38-K69 HydrophobicContact CZ2-CB 3.94Å; W38-K69 HydrophobicContact CZ2-CD 3.96Å; W38-K69 HydrophobicContact CZ2-CG 4.03Å; W38-I71 HydrophobicContact CH2-CD1 3.89Å; W38-I71 HydrophobicContact CH2-CG1 4.15Å; W38-I71 HydrophobicContact CH2-CG2 4.03Å; W38-I71 HydrophobicContact CZ3-CD1 3.57Å; W38-I71 HydrophobicContact CZ3-CG1 4.13Å | ||
| 39 | S | 92.2 | Very high | 92.5 | Very high | 41 Ų | 41 | 74.3 Ų | 74.3 | 29% | 0.287 | 38% | 0.376 | S | S | . | . | trans | -115.5 | 144.1 | 175.3 | -68.5 | 0 | 0 | 0 | 0 | 111.8 | W28 E41 Y42 | W28-S39 VanDerWaalsContact CH2-C 3.49Å; S39-E41 PolarHBondContact O-N 3.24Å; S39-Y42 PolarHBondContact O-N 3.04Å; S39-Y42 VanDerWaalsContact O-N 3.09Å | ||
| 40 | K | 90.7 | Very high | 91.4 | Very high | 113 Ų | 113 | 76.8 Ų | 76.8 | 49% | 0.491 | 39% | 0.389 | S | S | . | . | G | 310 helix | trans | -56.4 | -36.4 | -176.4 | -69.6 | -168.5 | 177.5 | -172.7 | 0 | 113 | W28 Y42 I43 | W28-K40 VanDerWaalsContact CB-CE 3.47Å; W28-K40 HydrophobicContact CD2-CD 4.14Å; W28-K40 VanDerWaalsContact CD2-CE 3.47Å; W28-K40 HydrophobicContact CD2-CG 3.51Å; W28-K40 HydrophobicContact CE3-CG 3.86Å; W28-K40 HydrophobicContact CG-CD 4.16Å; W28-K40 HydrophobicContact CG-CG 4.06Å; W28-K40 HydrophobicContact CH2-CG 3.96Å; W28-K40 HydrophobicContact CZ2-CB 4.38Å; W28-K40 HydrophobicContact CZ2-CG 3.57Å; W28-K40 HydrophobicContact CZ3-CG 4.11Å; K40-Y42 PolarHBondContact O-N 2.8Å; K40-I43 PolarHBondContact O-N 2.93Å |
| 41 | E | 93.2 | Very high | 90.1 | Very high | 147 Ų | 147 | 78.4 Ų | 78.4 | 69% | 0.687 | 41% | 0.406 | S | S | * | . | G | 310 helix | trans | -64.2 | -19.8 | -179.3 | 64.7 | -156.5 | -158.8 | 0 | 0 | 114.3 | S39 | S39-E41 PolarHBondContact O-N 3.24Š|
| 42 | Y | 93.4 | Very high | 89.1 | Confident | 103 Ų | 103 | 81.2 Ų | 81.2 | 40% | 0.404 | 42% | 0.421 | S | S | . | . | G | 310 helix | trans | -102.1 | 11.2 | 178.7 | -58.3 | -53.3 | 0 | 0 | 0 | 113 | S39 K40 H61 D62 N63 | S39-Y42 PolarHBondContact O-N 3.04Å; S39-Y42 VanDerWaalsContact O-N 3.09Å; K40-Y42 PolarHBondContact O-N 2.8Å; Y42-H61 WeakPolarHBondContact O-CA 3.48Å; Y42-D62 PolarHBondContact O-N 3.17Å; Y42-N63 HydrophobicContact CD1-CB 4.11Å; Y42-N63 HydrophobicContact CD2-CB 3.67Å; Y42-N63 HydrophobicContact CE2-CB 4.14Å; Y42-N63 HydrophobicContact CG-CB 3.68Å |
| 43 | I | 93.8 | Very high | 88.2 | Confident | 23 Ų | 23 | 78.5 Ų | 78.5 | 12% | 0.118 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 125 | -176.4 | -64.8 | 167.2 | 0 | 0 | 0 | 110.6 | W28 I31 W38 K40 V45 L59 D60 H61 | W28-I43 HydrophobicContact CE3-CD1 4.46Å; W28-I43 HydrophobicContact CH2-CD1 3.66Å; W28-I43 HydrophobicContact CZ3-CD1 3.3Å; I31-I43 HydrophobicContact CG2-CD1 4.49Å; W38-I43 HydrophobicContact CB-CD1 4.25Å; W38-I43 HydrophobicContact CD2-CD1 4.39Å; W38-I43 HydrophobicContact CE3-CD1 3.64Å; W38-I43 HydrophobicContact CE3-CG1 4.32Å; W38-I43 HydrophobicContact CZ3-CD1 4.33Å; K40-I43 PolarHBondContact O-N 2.93Å; I43-V45 HydrophobicContact CG2-CG2 3.99Å; I43-L59 HydrophobicContact CG2-CB 4Å; I43-L59 HydrophobicContact CG2-CD2 4.17Å; I43-D60 VanDerWaalsContact CA-O 3.3Å; I43-D60 WeakPolarHBondContact CA-O 3.38Å; I43-H61 HydrophobicContact CG1-CB 4.07Å |
| 44 | K | 93.2 | Very high | 87.6 | Confident | 160 Ų | 160 | 75.9 Ų | 75.9 | 70% | 0.696 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 127.8 | 167.6 | -64 | 176.2 | -176.7 | 170.9 | 0 | 108.8 | L59 D60 | K44-L59 WeakPolarHBondContact O-CA 3.49Å; K44-D60 HydrophobicContact CB-CB 4.37Å; K44-D60 PolarHBondContact N-O 2.64Å; K44-D60 PolarHBondContact O-N 2.84Å |
| 45 | V | 92.3 | Very high | 87.2 | Confident | 62 Ų | 62 | 77.6 Ų | 77.6 | 38% | 0.376 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 126.3 | 179.1 | -175.7 | 0 | 0 | 0 | 0 | 108.6 | I43 I57 R58 L59 | I43-V45 HydrophobicContact CG2-CG2 3.99Å; V45-I57 HydrophobicContact CG1-CG2 3.28Å; V45-R58 WeakPolarHBondContact CA-O 3.43Å; V45-L59 HydrophobicContact CG2-CD2 4.29Å; V45-L59 HydrophobicContact CG2-CG 4.44Å |
| 46 | K | 91.8 | Very high | 87 | Confident | 125 Ų | 125 | 77.1 Ų | 77.1 | 54% | 0.543 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 118.3 | 179.1 | -175 | -176.5 | 176.9 | -172.7 | 0 | 110.5 | R58 | K46-R58 HydrophobicContact CB-CB 4.49Å; K46-R58 PolarHBondContact N-O 2.97Å; K46-R58 PolarHBondContact O-N 2.92Å |
| 47 | P | 89.5 | Confident | 86.9 | Confident | 90 Ų | 90 | 73 Ų | 73 | 58% | 0.584 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62 | 136.6 | 166.9 | -20.2 | 32.9 | 0 | 0 | 0 | 110.8 | ||
| 48 | L | 87.5 | Confident | 87.1 | Confident | 49 Ų | 49 | 70.9 Ų | 70.9 | 26% | 0.257 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 120.9 | 171.5 | -57.3 | -175.4 | 0 | 0 | 0 | 108.5 | V56 R58 L72 | L48-V56 HydrophobicContact CB-CB 4.3Å; L48-V56 HydrophobicContact CB-CG1 4.47Å; L48-V56 HydrophobicContact CD1-CG1 4Å; L48-V56 PolarHBondContact N-O 2.91Å; L48-R58 HydrophobicContact CD1-CB 4.25Å; L48-R58 HydrophobicContact CD2-CB 4.13Å; L48-R58 HydrophobicContact CG-CB 4.15Å; L48-L72 HydrophobicContact CD1-CD2 3.77Å |
| 49 | E | 77.6 | Confident | 87.1 | Confident | 151 Ų | 151 | 70.5 Ų | 70.5 | 71% | 0.706 | 35% | 0.35 | S | S | * | . | trans | -90 | 1.1 | -174 | -58 | -167.2 | 160.5 | 0 | 0 | 114 | K382 | E49-K382 VanDerWaalsContact CD-NZ 3.28Å; E49-K382 IonicContact OE1-NZ 3.78Å; E49-K382 PolarHBondContact OE1-NZ 3.37Å; E49-K382 IonicContact OE2-NZ 3.6Å; E49-K382 PolarHBondContact OE2-NZ 3.45Å | ||
| 50 | E | 71 | Confident | 87.3 | Confident | 144 Ų | 144 | 70.2 Ų | 70.2 | 67% | 0.673 | 35% | 0.346 | S | S | * | . | trans | -78.7 | -20.4 | -175 | -66.4 | 172.3 | -169.7 | 0 | 0 | 113 | ||||
| 51 | G | 70.8 | Confident | 87.5 | Confident | 35 Ų | 35 | 65 Ų | 65 | 36% | 0.361 | 32% | 0.323 | S | S | . | . | trans | -75.2 | 124.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 52 | L | 74.4 | Confident | 87.6 | Confident | 59 Ų | 59 | 61.7 Ų | 61.7 | 31% | 0.309 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -81.5 | -38.8 | -179.1 | -71.6 | -177.3 | 0 | 0 | 0 | 113.1 | W371 F383 Y385 | L52-W371 HydrophobicContact CB-CH2 4.5Å; L52-W371 HydrophobicContact CD1-CH2 3.88Å; L52-F383 HydrophobicContact CD1-CD1 4.49Å; L52-F383 HydrophobicContact CD2-CB 3.77Å; L52-F383 HydrophobicContact CD2-CD1 4.35Å; L52-F383 HydrophobicContact CD2-CD2 4.27Å; L52-F383 HydrophobicContact CD2-CG 3.89Å; L52-Y385 VanDerWaalsContact C-OH 3.27Å; L52-Y385 WeakPolarHBondContact CB-OH 3.35Å; L52-Y385 PolarHBondContact O-OH 3.47Å |
| 53 | S | 75.3 | Confident | 87.4 | Confident | 13 Ų | 13 | 58 Ų | 58 | 9% | 0.091 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -103.5 | -23.4 | -172.5 | 58.8 | 0 | 0 | 0 | 0 | 114.8 | T77 E253 | S53-T77 WeakPolarHBondContact O-CG2 3.46Å; S53-T77 PolarHBondContact O-OG1 2.77Å; S53-E253 PolarHBondContact OG-OE2 3.42Å |
| 54 | N | 83.6 | Confident | 87.2 | Confident | 11 Ų | 11 | 66 Ų | 66 | 6% | 0.059 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 150.4 | -168.1 | -67.6 | -50.7 | 0 | 0 | 0 | 111.1 | R74 R76 A80 E253 | N54-R74 HydrophobicContact CB-CG 3.95Å; N54-R76 WeakPolarHBondContact OD1-CA 3.46Å; N54-A80 WeakPolarHBondContact OD1-CB 3.48Å; N54-E253 PolarHBondContact ND2-OE1 2.87Å |
| 55 | I | 86.6 | Confident | 86.9 | Confident | 67 Ų | 67 | 65.4 Ų | 65.4 | 34% | 0.344 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 125.3 | 169 | -63.5 | 165.6 | 0 | 0 | 0 | 107.4 | I57 R74 I75 | I55-I57 HydrophobicContact CG2-CG1 4.25Å; I55-R74 CarbonylContact O-C 3.57Å; I55-R74 WeakPolarHBondContact O-CA 3.47Å; I55-I75 HydrophobicContact CB-CB 4.18Å; I55-I75 HydrophobicContact CG2-CD1 4.07Å; I55-I75 PolarHBondContact N-O 2.9Å; I55-I75 PolarHBondContact O-N 2.64Å |
| 56 | V | 90.6 | Very high | 86.6 | Confident | 15 Ų | 15 | 66.5 Ų | 66.5 | 9% | 0.091 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 127.6 | 177.6 | -173.5 | 0 | 0 | 0 | 0 | 109.6 | L48 L72 R74 | L48-V56 HydrophobicContact CB-CB 4.3Å; L48-V56 HydrophobicContact CB-CG1 4.47Å; L48-V56 HydrophobicContact CD1-CG1 4Å; L48-V56 PolarHBondContact N-O 2.91Å; V56-L72 HydrophobicContact CG1-CB 4.47Å; V56-L72 HydrophobicContact CG1-CD2 4.3Å; V56-R74 HydrophobicContact CG2-CB 4.47Å; V56-R74 HydrophobicContact CG2-CG 4.37Å |
| 57 | I | 92.8 | Very high | 86.4 | Confident | 3 Ų | 3 | 68.6 Ų | 68.6 | 2% | 0.015 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 127.6 | 178.4 | -55.7 | 176.5 | 0 | 0 | 0 | 108.4 | I27 V45 I55 L59 L72 M73 I75 | I27-I57 HydrophobicContact CD1-CD1 3.85Å; V45-I57 HydrophobicContact CG1-CG2 3.28Å; I55-I57 HydrophobicContact CG2-CG1 4.25Å; I57-L59 HydrophobicContact CG2-CD1 4.18Å; I57-L59 HydrophobicContact CG2-CG 4.41Å; I57-L72 CarbonylContact O-C 3.51Å; I57-L72 WeakPolarHBondContact O-CA 3.32Å; I57-M73 HydrophobicContact CB-CB 4.49Å; I57-M73 PolarHBondContact N-O 3.34Å; I57-M73 PolarHBondContact O-N 3.09Å; I57-I75 HydrophobicContact CD1-CD1 3.69Å; I57-I75 HydrophobicContact CG1-CD1 4.34Å |
| 58 | R | 94.5 | Very high | 86.4 | Confident | 66 Ų | 66 | 68.4 Ų | 68.4 | 25% | 0.249 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 131.1 | 169.5 | 176.6 | 177.8 | 164.3 | 162.1 | 4.4 | 109.8 | V45 K46 L48 D60 T70 L72 | V45-R58 WeakPolarHBondContact CA-O 3.43Å; K46-R58 HydrophobicContact CB-CB 4.49Å; K46-R58 PolarHBondContact N-O 2.97Å; K46-R58 PolarHBondContact O-N 2.92Å; L48-R58 HydrophobicContact CD1-CB 4.25Å; L48-R58 HydrophobicContact CD2-CB 4.13Å; L48-R58 HydrophobicContact CG-CB 4.15Å; R58-D60 IonicContact CZ-OD1 3.28Å; R58-D60 VanDerWaalsContact CZ-OD1 3.24Å; R58-D60 IonicContact CZ-OD2 2.79Å; R58-D60 IonicContact NE-OD1 3.68Å; R58-D60 PolarHBondContact NE-OD1 2.91Å; R58-D60 IonicContact NE-OD2 3.59Å; R58-D60 PolarHBondContact NE-OD2 2.79Å; R58-D60 IonicContact NH2-OD1 3.93Å; R58-D60 PolarHBondContact NH2-OD1 2.64Å; R58-D60 IonicContact NH2-OD2 3.86Å; R58-T70 HydrophobicContact CG-CG2 3.65Å; R58-L72 HydrophobicContact CB-CD2 3.8Å; R58-L72 HydrophobicContact CG-CD2 4.21Å |
| 59 | L | 95.5 | Very high | 86.7 | Confident | 3 Ų | 3 | 70.1 Ų | 70.1 | 2% | 0.016 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 116 | 172.6 | -55.3 | 92.7 | 0 | 0 | 0 | 109 | I27 I31 I43 K44 V45 I57 T70 I71 M73 | I27-L59 HydrophobicContact CG2-CD2 4.32Å; I31-L59 HydrophobicContact CD1-CD2 4.1Å; I31-L59 HydrophobicContact CG1-CD2 3.88Å; I43-L59 HydrophobicContact CG2-CB 4Å; I43-L59 HydrophobicContact CG2-CD2 4.17Å; K44-L59 WeakPolarHBondContact O-CA 3.49Å; V45-L59 HydrophobicContact CG2-CD2 4.29Å; V45-L59 HydrophobicContact CG2-CG 4.44Å; I57-L59 HydrophobicContact CG2-CD1 4.18Å; I57-L59 HydrophobicContact CG2-CG 4.41Å; L59-T70 WeakPolarHBondContact O-CA 3.41Å; L59-I71 HydrophobicContact CB-CD1 4.26Å; L59-I71 HydrophobicContact CB-CG1 3.77Å; L59-I71 HydrophobicContact CD1-CD1 4.34Å; L59-I71 HydrophobicContact CD1-CG1 4.08Å; L59-I71 HydrophobicContact CG-CG1 4.48Å; L59-I71 PolarHBondContact N-O 2.79Å; L59-I71 PolarHBondContact O-N 2.93Å; L59-M73 HydrophobicContact CD1-CB 3.93Å |
| 60 | D | 95.7 | Very high | 87.6 | Confident | 35 Ų | 35 | 64.3 Ų | 64.3 | 19% | 0.187 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 110.4 | 176.3 | -63.3 | -73.4 | 0 | 0 | 0 | 109.1 | I43 K44 R58 T70 | I43-D60 VanDerWaalsContact CA-O 3.3Å; I43-D60 WeakPolarHBondContact CA-O 3.38Å; K44-D60 HydrophobicContact CB-CB 4.37Å; K44-D60 PolarHBondContact N-O 2.64Å; K44-D60 PolarHBondContact O-N 2.84Å; R58-D60 IonicContact CZ-OD1 3.28Å; R58-D60 VanDerWaalsContact CZ-OD1 3.24Å; R58-D60 IonicContact CZ-OD2 2.79Å; R58-D60 IonicContact NE-OD1 3.68Å; R58-D60 PolarHBondContact NE-OD1 2.91Å; R58-D60 IonicContact NE-OD2 3.59Å; R58-D60 PolarHBondContact NE-OD2 2.79Å; R58-D60 IonicContact NH2-OD1 3.93Å; R58-D60 PolarHBondContact NH2-OD1 2.64Å; R58-D60 IonicContact NH2-OD2 3.86Å; D60-T70 WeakPolarHBondContact OD1-CB 3.3Å; D60-T70 WeakPolarHBondContact OD1-CG2 3.32Å; D60-T70 PolarHBondContact OD1-OG1 2.92Å |
| 61 | H | 95.4 | Very high | 88.8 | Confident | 4 Ų | 4 | 57.4 Ų | 57.4 | 2% | 0.019 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 124.6 | 174.5 | 175.6 | -87.5 | 0 | 0 | 0 | 110.8 | W38 Y42 I43 P68 K69 | W38-H61 AromaticContact CD1-CD2 3.68Å; W38-H61 AromaticContact CD1-CE1 3.79Å; W38-H61 AromaticContact CD1-NE2 3.51Å; W38-H61 HydrophobicContact CD2-CB 3.91Å; W38-H61 AromaticContact CD2-CD2 3.52Å; W38-H61 AromaticContact CD2-CG 3.68Å; W38-H61 AromaticContact CE2-CD2 3.8Å; W38-H61 AromaticContact CE2-CG 3.51Å; W38-H61 AromaticContact CE2-ND1 3.88Å; W38-H61 HydrophobicContact CE3-CB 3.9Å; W38-H61 AromaticContact CG-CD2 3.46Å; W38-H61 VanDerWaalsContact CG-CD2 3.46Å; W38-H61 AromaticContact CG-NE2 3.69Å; W38-H61 HydrophobicContact CH2-CB 3.5Å; W38-H61 HydrophobicContact CZ2-CB 3.52Å; W38-H61 AromaticContact CZ2-CG 3.83Å; W38-H61 HydrophobicContact CZ3-CB 3.7Å; W38-H61 AromaticContact NE1-CD2 3.88Å; W38-H61 AromaticContact NE1-CE1 3.79Å; W38-H61 AromaticContact NE1-CG 3.75Å; W38-H61 AromaticContact NE1-ND1 3.7Å; W38-H61 AromaticContact NE1-NE2 3.91Å; Y42-H61 WeakPolarHBondContact O-CA 3.48Å; I43-H61 HydrophobicContact CG1-CB 4.07Å; H61-P68 WeakPolarHBondContact O-CA 3.18Å; H61-K69 PolarHBondContact N-O 2.96Å; H61-K69 PolarHBondContact O-N 2.92Å |
| 62 | D | 94 | Very high | 90 | Very high | 77 Ų | 77 | 56.5 Ų | 56.5 | 41% | 0.412 | 28% | 0.283 | S | S | . | . | trans | -148.5 | 103.7 | 174 | -180 | 7.6 | 0 | 0 | 0 | 110.4 | Y42 K64 P68 | Y42-D62 PolarHBondContact O-N 3.17Å; D62-K64 WeakPolarHBondContact OD1-CA 3.19Å; D62-K64 PolarHBondContact OD1-N 2.9Å; D62-P68 HydrophobicContact CB-CB 4.41Å | ||
| 63 | N | 90.2 | Very high | 91 | Very high | 25 Ų | 25 | 53.7 Ų | 53.7 | 13% | 0.134 | 27% | 0.268 | C | S | . | . | trans | -97.8 | 7.1 | 174.4 | 67.6 | 2.6 | 0 | 0 | 0 | 112.6 | Y42 I65 D66 | Y42-N63 HydrophobicContact CD1-CB 4.11Å; Y42-N63 HydrophobicContact CD2-CB 3.67Å; Y42-N63 HydrophobicContact CE2-CB 4.14Å; Y42-N63 HydrophobicContact CG-CB 3.68Å; N63-I65 PolarHBondContact O-N 3.31Å; N63-I65 VanDerWaalsContact O-N 3.09Å; N63-I65 PolarHBondContact OD1-N 2.98Å; N63-D66 PolarHBondContact ND2-OD2 2.77Å; N63-D66 PolarHBondContact OD1-N 3.17Å | ||
| 64 | K | 88.1 | Confident | 91.9 | Very high | 192 Ų | 192 | 53.6 Ų | 53.6 | 84% | 0.835 | 27% | 0.266 | S | S | * | . | S | Bend | trans | 60.7 | 5.7 | -175.3 | -50.5 | -178.9 | 178.7 | -179.4 | 0 | 116 | D62 | D62-K64 WeakPolarHBondContact OD1-CA 3.19Å; D62-K64 PolarHBondContact OD1-N 2.9Å |
| 65 | I | 87.6 | Confident | 92.2 | Very high | 148 Ų | 148 | 53.2 Ų | 53.2 | 76% | 0.759 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -112.3 | -50.8 | -178.9 | -62.3 | 169.7 | 0 | 0 | 0 | 109.5 | N63 | N63-I65 PolarHBondContact O-N 3.31Å; N63-I65 VanDerWaalsContact O-N 3.09Å; N63-I65 PolarHBondContact OD1-N 2.98Å |
| 66 | D | 85.4 | Confident | 92.2 | Very high | 85 Ų | 85 | 50.3 Ų | 50.3 | 46% | 0.455 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -87 | 161.8 | 175.2 | -59.4 | -48.6 | 0 | 0 | 0 | 110.7 | N63 P68 | N63-D66 PolarHBondContact ND2-OD2 2.77Å; N63-D66 PolarHBondContact OD1-N 3.17Å; D66-P68 WeakPolarHBondContact O-CD 3.46Å |
| 67 | E | 87.4 | Confident | 91.7 | Very high | 169 Ų | 169 | 51.6 Ų | 51.6 | 79% | 0.79 | 26% | 0.256 | S | S | * | . | P | Polyproline II helix | trans | -57 | 127.5 | 169 | -172.7 | -178.7 | -175.7 | 0 | 0 | 110 | K69 | E67-K69 PolarHBondContact O-N 2.88Š|
| 68 | P | 91.1 | Very high | 90.9 | Very high | 86 Ų | 86 | 60.1 Ų | 60.1 | 56% | 0.558 | 29% | 0.293 | S | S | * | . | P | Polyproline II helix | trans | -54.4 | 135.3 | 175.4 | -26.7 | 34.9 | 0 | 0 | 0 | 111 | H61 D62 D66 | H61-P68 WeakPolarHBondContact O-CA 3.18Å; D62-P68 HydrophobicContact CB-CB 4.41Å; D66-P68 WeakPolarHBondContact O-CD 3.46Å |
| 69 | K | 94.1 | Very high | 89.9 | Confident | 85 Ų | 85 | 58.2 Ų | 58.2 | 37% | 0.37 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 125.9 | -176.7 | -175.2 | 169.1 | -66.4 | 172.5 | 0 | 110.9 | F35 W38 H61 E67 I71 | F35-K69 HydrophobicContact CE1-CD 4.32Å; W38-K69 HydrophobicContact CH2-CB 4.44Å; W38-K69 HydrophobicContact CH2-CG 4.35Å; W38-K69 HydrophobicContact CZ2-CB 3.94Å; W38-K69 HydrophobicContact CZ2-CD 3.96Å; W38-K69 HydrophobicContact CZ2-CG 4.03Å; H61-K69 PolarHBondContact N-O 2.96Å; H61-K69 PolarHBondContact O-N 2.92Å; E67-K69 PolarHBondContact O-N 2.88Å; K69-I71 HydrophobicContact CG-CG2 4.34Å |
| 70 | T | 96 | Very high | 88.9 | Confident | 28 Ų | 28 | 58.2 Ų | 58.2 | 17% | 0.172 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 132.3 | 174.6 | -53.4 | 0 | 0 | 0 | 0 | 110.1 | R58 L59 D60 F117 | R58-T70 HydrophobicContact CG-CG2 3.65Å; L59-T70 WeakPolarHBondContact O-CA 3.41Å; D60-T70 WeakPolarHBondContact OD1-CB 3.3Å; D60-T70 WeakPolarHBondContact OD1-CG2 3.32Å; D60-T70 PolarHBondContact OD1-OG1 2.92Å; T70-F117 HydrophobicContact CG2-CB 3.48Å; T70-F117 VanDerWaalsContact CG2-CB 3.48Å; T70-F117 HydrophobicContact CG2-CD1 3.66Å; T70-F117 HydrophobicContact CG2-CD2 4.27Å; T70-F117 HydrophobicContact CG2-CE1 4.47Å; T70-F117 HydrophobicContact CG2-CG 3.54Å; T70-F117 WeakPolarHBondContact O-CB 3.47Å; T70-F117 PolarHBondContact O-N 3.38Å |
| 71 | I | 96.6 | Very high | 87.9 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 158 | 174.2 | 64.2 | 175.9 | 0 | 0 | 0 | 110.3 | I31 F35 W38 L59 K69 Y106 V114 Y115 | I31-I71 HydrophobicContact CD1-CD1 3.48Å; I31-I71 VanDerWaalsContact CD1-CD1 3.48Å; F35-I71 HydrophobicContact CD2-CD1 4.34Å; F35-I71 HydrophobicContact CE2-CD1 3.83Å; F35-I71 HydrophobicContact CE2-CG2 4.13Å; F35-I71 HydrophobicContact CZ-CG2 4.16Å; W38-I71 HydrophobicContact CH2-CD1 3.89Å; W38-I71 HydrophobicContact CH2-CG1 4.15Å; W38-I71 HydrophobicContact CH2-CG2 4.03Å; W38-I71 HydrophobicContact CZ3-CD1 3.57Å; W38-I71 HydrophobicContact CZ3-CG1 4.13Å; L59-I71 HydrophobicContact CB-CD1 4.26Å; L59-I71 HydrophobicContact CB-CG1 3.77Å; L59-I71 HydrophobicContact CD1-CD1 4.34Å; L59-I71 HydrophobicContact CD1-CG1 4.08Å; L59-I71 HydrophobicContact CG-CG1 4.48Å; L59-I71 PolarHBondContact N-O 2.79Å; L59-I71 PolarHBondContact O-N 2.93Å; K69-I71 HydrophobicContact CG-CG2 4.34Å; I71-Y106 HydrophobicContact CG2-CD2 4.05Å; I71-Y106 HydrophobicContact CG2-CE2 3.63Å; I71-V114 HydrophobicContact CB-CG1 4.48Å; I71-V114 HydrophobicContact CD1-CG1 3.93Å; I71-Y115 WeakPolarHBondContact CA-O 3.48Å |
| 72 | L | 95.9 | Very high | 87 | Confident | 15 Ų | 15 | 64.4 Ų | 64.4 | 8% | 0.079 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 139.1 | 171 | -63.4 | -179.8 | 0 | 0 | 0 | 109.6 | L48 V56 I57 R58 V114 Y115 F117 | L48-L72 HydrophobicContact CD1-CD2 3.77Å; V56-L72 HydrophobicContact CG1-CB 4.47Å; V56-L72 HydrophobicContact CG1-CD2 4.3Å; I57-L72 CarbonylContact O-C 3.51Å; I57-L72 WeakPolarHBondContact O-CA 3.32Å; R58-L72 HydrophobicContact CB-CD2 3.8Å; R58-L72 HydrophobicContact CG-CD2 4.21Å; L72-V114 CarbonylContact O-C 3.5Å; L72-V114 VanDerWaalsContact O-CA 3.3Å; L72-V114 WeakPolarHBondContact O-CA 3.08Å; L72-Y115 HydrophobicContact CB-CD1 4.03Å; L72-Y115 HydrophobicContact CB-CD2 4.21Å; L72-Y115 HydrophobicContact CB-CE1 3.64Å; L72-Y115 HydrophobicContact CB-CE2 3.85Å; L72-Y115 HydrophobicContact CB-CG 4.34Å; L72-Y115 HydrophobicContact CD1-CD2 4.35Å; L72-Y115 HydrophobicContact CD1-CE2 3.54Å; L72-Y115 HydrophobicContact CG-CE2 4.27Å; L72-Y115 PolarHBondContact N-O 2.77Å; L72-Y115 WeakPolarHBondContact O-CD1 3.21Å; L72-Y115 PolarHBondContact O-N 3.29Å; L72-F117 HydrophobicContact CD1-CD2 4.07Å; L72-F117 HydrophobicContact CD2-CD2 3.92Å; L72-F117 HydrophobicContact CG-CB 4.24Å; L72-F117 HydrophobicContact CG-CD2 4.04Å |
| 73 | M | 95 | Very high | 86.4 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 113.3 | 167.6 | 179.7 | 178.1 | -71.3 | 0 | 0 | 108.2 | I27 I30 I31 I57 L59 I75 F109 L113 V114 | I27-M73 HydrophobicContact CB-SD 4.38Å; I27-M73 HydrophobicContact CG1-SD 3.87Å; I27-M73 HydrophobicContact CG2-CE 4.03Å; I27-M73 HydrophobicContact CG2-SD 4.12Å; I30-M73 HydrophobicContact CB-CE 4.17Å; I30-M73 HydrophobicContact CD1-CE 4.5Å; I30-M73 HydrophobicContact CG2-CE 3.81Å; I31-M73 HydrophobicContact CD1-CE 3.81Å; I31-M73 HydrophobicContact CG1-CE 4.22Å; I57-M73 HydrophobicContact CB-CB 4.49Å; I57-M73 PolarHBondContact N-O 3.34Å; I57-M73 PolarHBondContact O-N 3.09Å; L59-M73 HydrophobicContact CD1-CB 3.93Å; M73-I75 HydrophobicContact CG-CG1 4.21Å; M73-I75 HydrophobicContact SD-CG1 4.47Å; M73-F109 HydrophobicContact CG-CE1 3.86Å; M73-F109 HydrophobicContact CG-CZ 3.86Å; M73-F109 HydrophobicContact SD-CE1 4.36Å; M73-F109 HydrophobicContact SD-CZ 4.23Å; M73-L113 WeakPolarHBondContact CA-O 3Å; M73-V114 HydrophobicContact CB-CG2 4.45Å; M73-V114 HydrophobicContact CE-CG2 3.83Å; M73-V114 HydrophobicContact CG-CG2 4.28Å |
| 74 | R | 93 | Very high | 86.1 | Confident | 11 Ų | 11 | 60.5 Ų | 60.5 | 4% | 0.042 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 119.6 | 175.4 | 175 | -173.9 | -64.5 | -149.6 | -15.7 | 108.9 | N54 I55 V56 E89 G112 L113 Y115 D251 | N54-R74 HydrophobicContact CB-CG 3.95Å; I55-R74 CarbonylContact O-C 3.57Å; I55-R74 WeakPolarHBondContact O-CA 3.47Å; V56-R74 HydrophobicContact CG2-CB 4.47Å; V56-R74 HydrophobicContact CG2-CG 4.37Å; R74-E89 IonicContact CZ-OE1 2.59Å; R74-E89 IonicContact NE-OE1 2.59Å; R74-E89 IonicContact NH1-OE1 3Å; R74-E89 PolarHBondContact NH1-OE1 3.38Å; R74-G112 CarbonylContact O-C 3.41Å; R74-G112 WeakPolarHBondContact O-CA 3.49Å; R74-L113 HydrophobicContact CB-CG 4.24Å; R74-L113 PolarHBondContact N-O 3.13Å; R74-L113 PolarHBondContact O-N 3.32Å; R74-Y115 HydrophobicContact CB-CE1 3.77Å; R74-Y115 PolarHBondContact NE-OH 3.2Å; R74-D251 IonicContact CZ-OD1 2.74Å; R74-D251 VanDerWaalsContact CZ-OD1 3.25Å; R74-D251 IonicContact NH1-OD1 3.53Å; R74-D251 PolarHBondContact NH1-OD1 3.19Å; R74-D251 IonicContact NH2-OD1 2.89Å; R74-D251 PolarHBondContact NH2-OD1 3.38Å; R74-D251 IonicContact NH2-OD2 3.24Å; R74-D251 PolarHBondContact NH2-OD2 2.81Å; R74-D251 VanDerWaalsContact NH2-OD2 3.17Å |
| 75 | I | 90.5 | Very high | 85.9 | Confident | 4 Ų | 4 | 54.4 Ų | 54.4 | 2% | 0.021 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 116.4 | 177.9 | -55.5 | 152.9 | 0 | 0 | 0 | 107.3 | I18 I55 I57 M73 F109 N111 | I18-I75 HydrophobicContact CB-CD1 4.37Å; I18-I75 HydrophobicContact CB-CG1 4.21Å; I18-I75 HydrophobicContact CB-CG2 4.14Å; I18-I75 HydrophobicContact CG2-CD1 3.53Å; I18-I75 HydrophobicContact CG2-CG1 3.91Å; I18-I75 HydrophobicContact CG2-CG2 4.12Å; I55-I75 HydrophobicContact CB-CB 4.18Å; I55-I75 HydrophobicContact CG2-CD1 4.07Å; I55-I75 PolarHBondContact N-O 2.9Å; I55-I75 PolarHBondContact O-N 2.64Å; I57-I75 HydrophobicContact CD1-CD1 3.69Å; I57-I75 HydrophobicContact CG1-CD1 4.34Å; M73-I75 HydrophobicContact CG-CG1 4.21Å; M73-I75 HydrophobicContact SD-CG1 4.47Å; I75-F109 HydrophobicContact CG1-CE2 4.48Å; I75-F109 HydrophobicContact CG1-CZ 4.11Å; I75-N111 WeakPolarHBondContact CG2-ND2 3.29Å |
| 76 | R | 85.9 | Confident | 85.8 | Confident | 6 Ų | 6 | 48.4 Ų | 48.4 | 2% | 0.023 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 131.8 | -176.6 | -66 | 176.3 | 65.7 | 82.7 | 15.8 | 110.5 | N54 A80 D81 E89 N111 E253 | N54-R76 WeakPolarHBondContact OD1-CA 3.46Å; R76-A80 PolarHBondContact NH2-O 3.16Å; R76-D81 IonicContact CZ-OD1 3.12Å; R76-D81 IonicContact NE-OD1 3.39Å; R76-D81 PolarHBondContact NE-OD1 3.21Å; R76-D81 IonicContact NH2-OD1 3.26Å; R76-D81 PolarHBondContact NH2-OD1 3.1Å; R76-E89 IonicContact CZ-OE2 2.85Å; R76-E89 IonicContact NH1-OE2 2.64Å; R76-E89 PolarHBondContact NH1-OE2 3.05Å; R76-N111 WeakPolarHBondContact CB-O 3.45Å; R76-N111 PolarHBondContact N-O 3.49Å; R76-E253 IonicContact CZ-OE1 2.64Å; R76-E253 IonicContact NH1-OE1 3.28Å; R76-E253 PolarHBondContact NH1-OE1 3Å; R76-E253 IonicContact NH2-OE1 3.52Å |
| 77 | T | 80.7 | Confident | 85.8 | Confident | 41 Ų | 41 | 48.1 Ų | 48.1 | 25% | 0.252 | 23% | 0.234 | S | C | . | . | trans | -81.6 | 160.6 | 172.6 | 70.2 | 0 | 0 | 0 | 0 | 110.1 | S53 L79 A80 D81 | S53-T77 WeakPolarHBondContact O-CG2 3.46Å; S53-T77 PolarHBondContact O-OG1 2.77Å; T77-L79 PolarHBondContact O-N 2.85Å; T77-L79 VanDerWaalsContact O-N 3.1Å; T77-A80 PolarHBondContact O-N 3.28Å; T77-A80 PolarHBondContact OG1-N 3.4Å; T77-D81 PolarHBondContact O-N 2.95Å | ||
| 78 | K | 77 | Confident | 85.7 | Confident | 182 Ų | 182 | 42.1 Ų | 42.1 | 79% | 0.791 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -29.2 | 176 | -71.5 | -177.2 | 179.2 | 176.7 | 0 | 112.8 | F82 | K78-F82 PolarHBondContact O-N 2.77Š|
| 79 | L | 73.6 | Confident | 85.6 | Confident | 27 Ų | 27 | 38.1 Ų | 38.1 | 14% | 0.141 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -34.5 | -177.4 | -165.6 | 61.4 | 0 | 0 | 0 | 112.7 | T77 D81 F82 I83 L375 V377 Q378 | T77-L79 PolarHBondContact O-N 2.85Å; T77-L79 VanDerWaalsContact O-N 3.1Å; L79-D81 VanDerWaalsContact C-N 3.28Å; L79-D81 PolarHBondContact O-N 2.84Å; L79-F82 HydrophobicContact CD1-CB 4.21Å; L79-F82 HydrophobicContact CD1-CD1 4.23Å; L79-F82 VanDerWaalsContact O-CB 3.28Å; L79-F82 WeakPolarHBondContact O-CB 3.44Å; L79-F82 PolarHBondContact O-N 2.78Å; L79-I83 PolarHBondContact O-N 2.86Å; L79-L375 HydrophobicContact CD2-CD2 3.38Å; L79-L375 HydrophobicContact CG-CD2 3.6Å; L79-V377 HydrophobicContact CD1-CG2 4.05Å; L79-V377 HydrophobicContact CD2-CG2 3.97Å; L79-Q378 HydrophobicContact CD2-CG 3.17Å |
| 80 | A | 73.5 | Confident | 85.4 | Confident | 2 Ų | 2 | 34.1 Ų | 34.1 | 2% | 0.017 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -58.6 | -43 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | N54 R76 T77 F82 I83 V84 | N54-A80 WeakPolarHBondContact OD1-CB 3.48Å; R76-A80 PolarHBondContact NH2-O 3.16Å; T77-A80 PolarHBondContact O-N 3.28Å; T77-A80 PolarHBondContact OG1-N 3.4Å; A80-F82 PolarHBondContact O-N 2.9Å; A80-I83 PolarHBondContact O-N 2.82Å; A80-V84 PolarHBondContact O-N 2.92Å |
| 81 | D | 75.2 | Confident | 85.1 | Confident | 77 Ų | 77 | 33.6 Ų | 33.6 | 41% | 0.412 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -64.6 | -20.5 | 175.6 | -70.1 | -16.5 | 0 | 0 | 0 | 113.6 | R76 T77 L79 | R76-D81 IonicContact CZ-OD1 3.12Å; R76-D81 IonicContact NE-OD1 3.39Å; R76-D81 PolarHBondContact NE-OD1 3.21Å; R76-D81 IonicContact NH2-OD1 3.26Å; R76-D81 PolarHBondContact NH2-OD1 3.1Å; T77-D81 PolarHBondContact O-N 2.95Å; L79-D81 VanDerWaalsContact C-N 3.28Å; L79-D81 PolarHBondContact O-N 2.84Å |
| 82 | F | 76.8 | Confident | 84.8 | Confident | 92 Ų | 92 | 34.5 Ų | 34.5 | 40% | 0.404 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -77.8 | -28.4 | 177.4 | -172.5 | -112 | 0 | 0 | 0 | 112.7 | K78 L79 A80 K183 I374 | K78-F82 PolarHBondContact O-N 2.77Å; L79-F82 HydrophobicContact CD1-CB 4.21Å; L79-F82 HydrophobicContact CD1-CD1 4.23Å; L79-F82 VanDerWaalsContact O-CB 3.28Å; L79-F82 WeakPolarHBondContact O-CB 3.44Å; L79-F82 PolarHBondContact O-N 2.78Å; A80-F82 PolarHBondContact O-N 2.9Å; F82-K183 HydrophobicContact CD1-CB 4.48Å; F82-K183 HydrophobicContact CD1-CD 4.1Å; F82-K183 HydrophobicContact CD1-CG 4.45Å; F82-K183 HydrophobicContact CE1-CB 3.54Å; F82-K183 HydrophobicContact CE1-CD 3.75Å; F82-K183 HydrophobicContact CE1-CG 3.61Å; F82-K183 HydrophobicContact CE2-CG 4.39Å; F82-K183 HydrophobicContact CZ-CB 3.88Å; F82-K183 HydrophobicContact CZ-CD 3.96Å; F82-K183 HydrophobicContact CZ-CG 3.56Å; F82-K183 VanDerWaalsContact O-CE 3.23Å; F82-K183 WeakPolarHBondContact O-CE 3.48Å; F82-K183 PolarHBondContact O-NZ 2.93Å; F82-I374 HydrophobicContact CD1-CG2 4.11Å; F82-I374 HydrophobicContact CE1-CG2 4.16Å |
| 83 | I | 81.6 | Confident | 84.6 | Confident | 5 Ų | 5 | 34.1 Ų | 34.1 | 3% | 0.026 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -102.7 | -42.6 | -172.5 | -61.2 | -174.8 | 0 | 0 | 0 | 111.2 | L79 A80 W180 Y254 I374 L375 | L79-I83 PolarHBondContact O-N 2.86Å; A80-I83 PolarHBondContact O-N 2.82Å; I83-W180 HydrophobicContact CG2-CD2 4.27Å; I83-W180 HydrophobicContact CG2-CH2 4.23Å; I83-W180 HydrophobicContact CG2-CZ2 3.37Å; I83-W180 PolarHBondContact O-NE1 3.21Å; I83-W180 VanDerWaalsContact O-NE1 3.15Å; I83-Y254 HydrophobicContact CG2-CE1 4.45Å; I83-I374 HydrophobicContact CD1-CB 4.07Å; I83-I374 HydrophobicContact CD1-CG2 3.59Å; I83-I374 HydrophobicContact CG1-CG2 3.86Å; I83-L375 HydrophobicContact CD1-CD2 3.35Å; I83-L375 HydrophobicContact CD1-CG 3.66Å |
| 84 | V | 83.3 | Confident | 84.4 | Confident | 15 Ų | 15 | 35.5 Ų | 35.5 | 9% | 0.091 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -112.6 | 139.5 | -169.1 | 179.4 | 0 | 0 | 0 | 0 | 111 | A80 R86 E253 Y254 | A80-V84 PolarHBondContact O-N 2.92Å; V84-R86 PolarHBondContact O-N 2.86Å; V84-E253 HydrophobicContact CB-CG 4.06Å; V84-E253 HydrophobicContact CG1-CG 3.43Å; V84-E253 VanDerWaalsContact CG1-CG 3.43Å; V84-E253 WeakPolarHBondContact CG1-O 3.42Å; V84-E253 HydrophobicContact CG2-CG 3.81Å; V84-Y254 HydrophobicContact CG2-CD1 4.26Å; V84-Y254 HydrophobicContact CG2-CE1 3.54Å |
| 85 | N | 84.5 | Confident | 84.3 | Confident | 65 Ų | 65 | 35 Ų | 35 | 35% | 0.348 | 17% | 0.165 | S | C | . | . | trans | -83.2 | 105.5 | 167.5 | -176.8 | 0.1 | 0 | 0 | 0 | 110.9 | W87 D88 E89 | N85-W87 PolarHBondContact O-N 2.86Å; N85-W87 VanDerWaalsContact O-N 3.16Å; N85-W87 WeakPolarHBondContact OD1-CB 3.33Å; N85-W87 PolarHBondContact OD1-N 2.82Å; N85-D88 HydrophobicContact CB-CB 4.28Å; N85-D88 VanDerWaalsContact CB-OD2 3.24Å; N85-D88 WeakPolarHBondContact CB-OD2 3.17Å; N85-D88 VanDerWaalsContact CG-OD2 3.28Å; N85-D88 PolarHBondContact ND2-OD1 2.74Å; N85-D88 PolarHBondContact ND2-OD2 2.89Å; N85-D88 PolarHBondContact O-N 3.32Å; N85-D88 VanDerWaalsContact O-N 3.08Å; N85-E89 PolarHBondContact O-N 2.98Å | ||
| 86 | R | 84.1 | Confident | 84.4 | Confident | 21 Ų | 21 | 35.4 Ų | 35.4 | 8% | 0.079 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -54 | -32.9 | 176.6 | -176.1 | -177.3 | 178.6 | -168 | -11.1 | 114.6 | V84 D88 E89 I90 F109 Q110 G112 | V84-R86 PolarHBondContact O-N 2.86Å; R86-D88 VanDerWaalsContact C-N 3.3Å; R86-E89 WeakPolarHBondContact O-CB 3.3Å; R86-E89 PolarHBondContact O-N 3.47Å; R86-I90 HydrophobicContact CG-CD1 3.98Å; R86-I90 WeakPolarHBondContact O-CG1 3.03Å; R86-I90 PolarHBondContact O-N 2.95Å; R86-F109 PolarHBondContact NH1-O 3.08Å; R86-F109 PolarHBondContact NH2-O 3.4Å; R86-Q110 VanDerWaalsContact NH1-C 3.32Å; R86-Q110 PolarHBondContact NH1-O 3.22Å; R86-G112 PolarHBondContact NH2-O 3.03Å |
| 87 | W | 85.1 | Confident | 84.6 | Confident | 79 Ų | 79 | 38 Ų | 38 | 30% | 0.299 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -72.5 | -30.4 | -178.4 | -59.9 | 114.6 | 0 | 0 | 0 | 112.1 | P5 I7 N85 I90 K91 V108 | P5-W87 HydrophobicContact CB-CB 3.96Å; P5-W87 HydrophobicContact CB-CD2 3.22Å; P5-W87 HydrophobicContact CB-CE3 3.53Å; P5-W87 HydrophobicContact CB-CG 3.37Å; P5-W87 HydrophobicContact CB-CZ2 4.28Å; P5-W87 HydrophobicContact CB-CZ3 4.2Å; P5-W87 HydrophobicContact CG-CD2 3.07Å; P5-W87 HydrophobicContact CG-CE3 3.44Å; P5-W87 VanDerWaalsContact CG-CE3 3.44Å; P5-W87 HydrophobicContact CG-CG 3.65Å; P5-W87 HydrophobicContact CG-CH2 3.53Å; P5-W87 HydrophobicContact CG-CZ2 3.16Å; P5-W87 HydrophobicContact CG-CZ3 3.67Å; I7-W87 HydrophobicContact CD1-CE3 4.44Å; I7-W87 HydrophobicContact CD1-CH2 3.74Å; I7-W87 HydrophobicContact CD1-CZ3 3.36Å; I7-W87 HydrophobicContact CG1-CE3 4.15Å; I7-W87 HydrophobicContact CG1-CH2 4.33Å; I7-W87 HydrophobicContact CG1-CZ3 3.5Å; N85-W87 PolarHBondContact O-N 2.86Å; N85-W87 VanDerWaalsContact O-N 3.16Å; N85-W87 WeakPolarHBondContact OD1-CB 3.33Å; N85-W87 PolarHBondContact OD1-N 2.82Å; W87-I90 HydrophobicContact CE3-CD1 3.71Å; W87-I90 HydrophobicContact CZ3-CD1 3.64Å; W87-K91 WeakPolarHBondContact O-CB 3.48Å; W87-K91 WeakPolarHBondContact O-CG 3.4Å; W87-K91 PolarHBondContact O-N 2.88Å; W87-V108 HydrophobicContact CZ3-CG1 4.47Å |
| 88 | D | 87.1 | Confident | 85 | Confident | 43 Ų | 43 | 39.3 Ų | 39.3 | 23% | 0.23 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -69.2 | -44.7 | 173.8 | -61.3 | -25 | 0 | 0 | 0 | 109.3 | N85 R86 I90 K91 H92 | N85-D88 HydrophobicContact CB-CB 4.28Å; N85-D88 VanDerWaalsContact CB-OD2 3.24Å; N85-D88 WeakPolarHBondContact CB-OD2 3.17Å; N85-D88 VanDerWaalsContact CG-OD2 3.28Å; N85-D88 PolarHBondContact ND2-OD1 2.74Å; N85-D88 PolarHBondContact ND2-OD2 2.89Å; N85-D88 PolarHBondContact O-N 3.32Å; N85-D88 VanDerWaalsContact O-N 3.08Å; R86-D88 VanDerWaalsContact C-N 3.3Å; D88-I90 PolarHBondContact O-N 3.41Å; D88-K91 PolarHBondContact O-N 2.91Å; D88-H92 VanDerWaalsContact O-CG 3.31Å; D88-H92 PolarHBondContact O-N 3.32Å; D88-H92 PolarHBondContact O-ND1 2.66Å |
| 89 | E | 89 | Confident | 85.6 | Confident | 2 Ų | 2 | 30.8 Ų | 30.8 | 1% | 0.009 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -52.5 | -52.7 | 172.9 | 177.4 | -172.7 | -157.5 | 0 | 0 | 111.9 | R74 R76 N85 R86 K91 H92 M93 | R74-E89 IonicContact CZ-OE1 2.59Å; R74-E89 IonicContact NE-OE1 2.59Å; R74-E89 IonicContact NH1-OE1 3Å; R74-E89 PolarHBondContact NH1-OE1 3.38Å; R76-E89 IonicContact CZ-OE2 2.85Å; R76-E89 IonicContact NH1-OE2 2.64Å; R76-E89 PolarHBondContact NH1-OE2 3.05Å; N85-E89 PolarHBondContact O-N 2.98Å; R86-E89 WeakPolarHBondContact O-CB 3.3Å; R86-E89 PolarHBondContact O-N 3.47Å; E89-K91 VanDerWaalsContact C-N 3.33Å; E89-K91 PolarHBondContact O-N 3.03Å; E89-H92 PolarHBondContact O-N 3.25Å; E89-M93 HydrophobicContact CG-SD 4.27Å; E89-M93 WeakPolarHBondContact O-CG 3.43Å; E89-M93 PolarHBondContact O-N 3.12Å |
| 90 | I | 89.5 | Confident | 86.1 | Confident | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.005 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60.1 | -42.9 | -179.8 | -71.1 | 163.9 | 0 | 0 | 0 | 111.6 | R86 W87 D88 M93 Y94 L105 V108 | R86-I90 HydrophobicContact CG-CD1 3.98Å; R86-I90 WeakPolarHBondContact O-CG1 3.03Å; R86-I90 PolarHBondContact O-N 2.95Å; W87-I90 HydrophobicContact CE3-CD1 3.71Å; W87-I90 HydrophobicContact CZ3-CD1 3.64Å; D88-I90 PolarHBondContact O-N 3.41Å; I90-M93 PolarHBondContact O-N 2.79Å; I90-Y94 WeakPolarHBondContact O-CB 3.41Å; I90-Y94 PolarHBondContact O-N 2.52Å; I90-L105 HydrophobicContact CG2-CD2 3.83Å; I90-V108 HydrophobicContact CD1-CG1 3.73Å; I90-V108 HydrophobicContact CD1-CG2 3.86Å; I90-V108 HydrophobicContact CG1-CG2 4.23Å; I90-V108 HydrophobicContact CG2-CG2 4.36Å |
| 91 | K | 88.7 | Confident | 86.8 | Confident | 17 Ų | 17 | 31.4 Ų | 31.4 | 7% | 0.074 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.9 | -47.1 | 177.3 | -75.6 | 173.4 | -175.2 | -173.1 | 0 | 111.4 | W87 D88 E89 Y94 L95 F157 E160 | W87-K91 WeakPolarHBondContact O-CB 3.48Å; W87-K91 WeakPolarHBondContact O-CG 3.4Å; W87-K91 PolarHBondContact O-N 2.88Å; D88-K91 PolarHBondContact O-N 2.91Å; E89-K91 VanDerWaalsContact C-N 3.33Å; E89-K91 PolarHBondContact O-N 3.03Å; K91-Y94 PolarHBondContact O-N 3.3Å; K91-L95 WeakPolarHBondContact O-CB 3.4Å; K91-L95 PolarHBondContact O-N 2.88Å; K91-F157 HydrophobicContact CB-CZ 4.23Å; K91-F157 HydrophobicContact CG-CE1 4.38Å; K91-F157 HydrophobicContact CG-CZ 4.17Å; K91-E160 WeakPolarHBondContact CE-OE1 3.44Å; K91-E160 IonicContact NZ-OE1 3.58Å; K91-E160 PolarHBondContact NZ-OE1 2.68Å; K91-E160 IonicContact NZ-OE2 2.9Å; K91-E160 PolarHBondContact NZ-OE2 2.78Å |
| 92 | H | 91.1 | Very high | 87.2 | Confident | 20 Ų | 20 | 32.8 Ų | 32.8 | 9% | 0.093 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -65.3 | -41.8 | 179.9 | -63.3 | 123.5 | 0 | 0 | 0 | 111.6 | D88 E89 Y94 L95 L96 C255 | D88-H92 VanDerWaalsContact O-CG 3.31Å; D88-H92 PolarHBondContact O-N 3.32Å; D88-H92 PolarHBondContact O-ND1 2.66Å; E89-H92 PolarHBondContact O-N 3.25Å; H92-Y94 VanDerWaalsContact C-N 3.35Å; H92-Y94 PolarHBondContact O-N 3.11Å; H92-L95 PolarHBondContact O-N 3.39Å; H92-L96 VanDerWaalsContact O-CB 3.27Å; H92-L96 WeakPolarHBondContact O-CB 3.45Å; H92-L96 WeakPolarHBondContact O-CD1 3.41Å; H92-L96 WeakPolarHBondContact O-CG 3.46Å; H92-L96 PolarHBondContact O-N 2.94Å; H92-C255 HydrophobicContact CB-CB 4.09Å; H92-C255 PolarHBondContact CE1-O 3.35Å; H92-C255 PolarHBondContact ND1-O 3.45Å; H92-C255 VanDerWaalsContact ND1-O 3.13Å |
| 93 | M | 92.2 | Very high | 87.8 | Confident | 6 Ų | 6 | 29.2 Ų | 29.2 | 3% | 0.03 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -58.7 | -46.4 | 174.5 | -71.9 | -178.2 | 78.4 | 0 | 0 | 111.9 | E89 I90 H97 Q103 L105 L113 Y115 | E89-M93 HydrophobicContact CG-SD 4.27Å; E89-M93 WeakPolarHBondContact O-CG 3.43Å; E89-M93 PolarHBondContact O-N 3.12Å; I90-M93 PolarHBondContact O-N 2.79Å; M93-H97 PolarHBondContact O-N 3.25Å; M93-H97 VanDerWaalsContact O-N 3.09Å; M93-Q103 HydrophobicContact CE-CG 4.01Å; M93-L105 HydrophobicContact CE-CD1 4.37Å; M93-L113 HydrophobicContact CE-CD1 3.85Å; M93-L113 HydrophobicContact SD-CD1 3.77Å; M93-Y115 HydrophobicContact CE-CD2 4.03Å; M93-Y115 HydrophobicContact CE-CG 3.9Å |
| 94 | Y | 90.7 | Very high | 88.3 | Confident | 30 Ų | 30 | 33.4 Ų | 33.4 | 12% | 0.118 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.7 | -48 | 178.1 | 179.7 | -112 | 0 | 0 | 0 | 112.1 | P8 I11 I90 K91 H92 L96 H97 E98 L156 F157 | P8-Y94 HydrophobicContact CB-CD1 4.23Å; P8-Y94 HydrophobicContact CB-CD2 4.45Å; P8-Y94 HydrophobicContact CB-CE1 3.85Å; P8-Y94 HydrophobicContact CB-CE2 4.15Å; P8-Y94 HydrophobicContact CG-CD1 3.28Å; P8-Y94 HydrophobicContact CG-CD2 3.98Å; P8-Y94 HydrophobicContact CG-CE1 3.36Å; P8-Y94 HydrophobicContact CG-CE2 4.09Å; P8-Y94 HydrophobicContact CG-CG 3.6Å; I11-Y94 HydrophobicContact CD1-CD2 3.65Å; I11-Y94 HydrophobicContact CD1-CE2 4.36Å; I11-Y94 HydrophobicContact CD1-CG 4.09Å; I90-Y94 WeakPolarHBondContact O-CB 3.41Å; I90-Y94 PolarHBondContact O-N 2.52Å; K91-Y94 PolarHBondContact O-N 3.3Å; H92-Y94 VanDerWaalsContact C-N 3.35Å; H92-Y94 PolarHBondContact O-N 3.11Å; Y94-L96 PolarHBondContact O-N 3.39Å; Y94-H97 PolarHBondContact O-N 2.93Å; Y94-E98 HydrophobicContact CD1-CG 4.39Å; Y94-E98 HydrophobicContact CD2-CG 4.45Å; Y94-E98 HydrophobicContact CE1-CG 3.96Å; Y94-E98 HydrophobicContact CE2-CG 3.96Å; Y94-E98 WeakPolarHBondContact CE2-OE1 3.47Å; Y94-E98 WeakPolarHBondContact O-CG 3.42Å; Y94-E98 PolarHBondContact O-N 2.84Å; Y94-E98 PolarHBondContact OH-OE1 3.33Å; Y94-L156 HydrophobicContact CD1-CD1 4.17Å; Y94-L156 HydrophobicContact CE1-CD1 3.88Å; Y94-L156 HydrophobicContact CE1-CD2 4.07Å; Y94-L156 HydrophobicContact CE1-CG 4.41Å; Y94-F157 HydrophobicContact CD1-CE1 4.47Å; Y94-F157 HydrophobicContact CD1-CZ 4.08Å |
| 95 | L | 89.8 | Confident | 88.9 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -56.7 | -47.3 | 177.5 | 172.8 | 62.9 | 0 | 0 | 0 | 112.1 | K91 H92 H97 E98 L99 T149 T152 M153 L156 | K91-L95 WeakPolarHBondContact O-CB 3.4Å; K91-L95 PolarHBondContact O-N 2.88Å; H92-L95 PolarHBondContact O-N 3.39Å; L95-H97 VanDerWaalsContact C-N 3.33Å; L95-H97 PolarHBondContact O-N 3.35Å; L95-E98 PolarHBondContact O-N 3.44Å; L95-L99 HydrophobicContact CD1-CD1 3.78Å; L95-L99 HydrophobicContact CD1-CG 4.44Å; L95-L99 HydrophobicContact CG-CD1 3.94Å; L95-L99 WeakPolarHBondContact O-CB 3.42Å; L95-L99 WeakPolarHBondContact O-CD1 3.2Å; L95-L99 VanDerWaalsContact O-CG 3.29Å; L95-L99 WeakPolarHBondContact O-CG 3.06Å; L95-L99 PolarHBondContact O-N 2.84Å; L95-T149 HydrophobicContact CD2-CG2 3.55Å; L95-T149 HydrophobicContact CG-CG2 4.3Å; L95-T152 HydrophobicContact CD1-CG2 3.53Å; L95-M153 HydrophobicContact CD1-CG 3.81Å; L95-M153 HydrophobicContact CD2-CG 3.41Å; L95-M153 VanDerWaalsContact CD2-CG 3.41Å; L95-M153 HydrophobicContact CD2-SD 3.66Å; L95-M153 HydrophobicContact CG-CG 4.23Å; L95-L156 HydrophobicContact CD1-CD1 4.12Å |
| 96 | L | 92.9 | Very high | 89.4 | Confident | 13 Ų | 13 | 32.2 Ų | 32.2 | 7% | 0.068 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -64.6 | -39.2 | 179.1 | -72.6 | 166.7 | 0 | 0 | 0 | 111.1 | H92 Y94 L99 G100 G101 L144 L147 L228 F252 | H92-L96 VanDerWaalsContact O-CB 3.27Å; H92-L96 WeakPolarHBondContact O-CB 3.45Å; H92-L96 WeakPolarHBondContact O-CD1 3.41Å; H92-L96 WeakPolarHBondContact O-CG 3.46Å; H92-L96 PolarHBondContact O-N 2.94Å; Y94-L96 PolarHBondContact O-N 3.39Å; L96-L99 CarbonylContact O-C 3.58Å; L96-L99 WeakPolarHBondContact O-CA 3.49Å; L96-L99 PolarHBondContact O-N 3.49Å; L96-L99 VanDerWaalsContact O-N 3.14Å; L96-G100 PolarHBondContact O-N 3.09Å; L96-G101 WeakPolarHBondContact O-CA 3.06Å; L96-G101 PolarHBondContact O-N 3.04Å; L96-L144 HydrophobicContact CD2-CD1 3.71Å; L96-L147 HydrophobicContact CD2-CD1 3.76Å; L96-L228 HydrophobicContact CD2-CD2 3.8Å; L96-L228 HydrophobicContact CG-CD2 4.36Å; L96-F252 HydrophobicContact CD1-CB 4.37Å; L96-F252 HydrophobicContact CD1-CD1 3.39Å; L96-F252 HydrophobicContact CD1-CD2 3.87Å; L96-F252 HydrophobicContact CD1-CE1 3.45Å; L96-F252 VanDerWaalsContact CD1-CE1 3.45Å; L96-F252 HydrophobicContact CD1-CE2 3.93Å; L96-F252 HydrophobicContact CD1-CG 3.6Å; L96-F252 HydrophobicContact CD1-CZ 3.72Å |
| 97 | H | 91.2 | Very high | 90 | Very high | 61 Ų | 61 | 31.2 Ų | 31.2 | 28% | 0.282 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -62 | -45.2 | 174.8 | -172.2 | 52.7 | 0 | 0 | 0 | 112.2 | M93 Y94 L95 L99 G100 G101 | M93-H97 PolarHBondContact O-N 3.25Å; M93-H97 VanDerWaalsContact O-N 3.09Å; Y94-H97 PolarHBondContact O-N 2.93Å; L95-H97 VanDerWaalsContact C-N 3.33Å; L95-H97 PolarHBondContact O-N 3.35Å; H97-L99 PolarHBondContact O-N 3.22Å; H97-G100 PolarHBondContact O-N 2.85Å; H97-G101 PolarHBondContact ND1-O 3.32Å; H97-G101 VanDerWaalsContact ND1-O 3.13Å |
| 98 | E | 87.7 | Confident | 90.4 | Very high | 68 Ų | 68 | 27.5 Ų | 27.5 | 32% | 0.318 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -62.1 | -24.3 | 174.8 | -68.8 | -73.4 | 147.1 | 0 | 0 | 112.8 | Y94 L95 L156 T323 | Y94-E98 HydrophobicContact CD1-CG 4.39Å; Y94-E98 HydrophobicContact CD2-CG 4.45Å; Y94-E98 HydrophobicContact CE1-CG 3.96Å; Y94-E98 HydrophobicContact CE2-CG 3.96Å; Y94-E98 WeakPolarHBondContact CE2-OE1 3.47Å; Y94-E98 WeakPolarHBondContact O-CG 3.42Å; Y94-E98 PolarHBondContact O-N 2.84Å; Y94-E98 PolarHBondContact OH-OE1 3.33Å; L95-E98 PolarHBondContact O-N 3.44Å; E98-L156 HydrophobicContact CB-CD1 4.07Å; E98-L156 HydrophobicContact CG-CD1 3.91Å; E98-L156 HydrophobicContact CG-CD2 4.47Å; E98-T323 WeakPolarHBondContact O-CG2 3.39Å |
| 99 | L | 89.8 | Confident | 90.8 | Very high | 2 Ų | 2 | 25.6 Ų | 25.6 | 1% | 0.01 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | 7.7 | 175.1 | -70.8 | 167.5 | 0 | 0 | 0 | 113.5 | L95 L96 H97 L147 P148 T152 | L95-L99 HydrophobicContact CD1-CD1 3.78Å; L95-L99 HydrophobicContact CD1-CG 4.44Å; L95-L99 HydrophobicContact CG-CD1 3.94Å; L95-L99 WeakPolarHBondContact O-CB 3.42Å; L95-L99 WeakPolarHBondContact O-CD1 3.2Å; L95-L99 VanDerWaalsContact O-CG 3.29Å; L95-L99 WeakPolarHBondContact O-CG 3.06Å; L95-L99 PolarHBondContact O-N 2.84Å; L96-L99 CarbonylContact O-C 3.58Å; L96-L99 WeakPolarHBondContact O-CA 3.49Å; L96-L99 PolarHBondContact O-N 3.49Å; L96-L99 VanDerWaalsContact O-N 3.14Å; H97-L99 PolarHBondContact O-N 3.22Å; L99-L147 HydrophobicContact CB-CD1 4.27Å; L99-L147 HydrophobicContact CB-CD2 4.27Å; L99-L147 HydrophobicContact CD1-CB 4.19Å; L99-L147 HydrophobicContact CD1-CD1 4.17Å; L99-P148 HydrophobicContact CD2-CG 3.86Å; L99-T152 HydrophobicContact CD2-CG2 4.13Å; L99-T152 WeakPolarHBondContact CD2-OG1 3.4Å; L99-T152 HydrophobicContact CG-CG2 4.15Å |
| 100 | G | 84.8 | Confident | 90.9 | Very high | 20 Ų | 20 | 29.7 Ų | 29.7 | 21% | 0.206 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 88.7 | 23.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | L96 H97 R143 T323 | L96-G100 PolarHBondContact O-N 3.09Å; H97-G100 PolarHBondContact O-N 2.85Å; G100-R143 PolarHBondContact O-NH2 3.44Å; G100-T323 VanDerWaalsContact CA-CB 3.43Å |
| 101 | G | 87.1 | Confident | 91 | Very high | 22 Ų | 22 | 30 Ų | 30 | 23% | 0.227 | 15% | 0.148 | C | C | . | . | trans | -71.4 | 143.8 | 163.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | L96 H97 Q103 | L96-G101 WeakPolarHBondContact O-CA 3.06Å; L96-G101 PolarHBondContact O-N 3.04Å; H97-G101 PolarHBondContact ND1-O 3.32Å; H97-G101 VanDerWaalsContact ND1-O 3.13Å; G101-Q103 VanDerWaalsContact C-N 3.34Å | ||
| 102 | E | 83.5 | Confident | 91.2 | Very high | 107 Ų | 107 | 29.1 Ų | 29.1 | 50% | 0.5 | 14% | 0.144 | S | C | . | . | S | Bend | trans | -77 | -21.6 | -175.2 | -60.6 | -170.7 | 174 | 0 | 0 | 113.7 | K104 S116 I118 H248 | E102-K104 PolarHBondContact O-N 3.14Å; E102-S116 PolarHBondContact O-OG 2.7Å; E102-I118 HydrophobicContact CB-CD1 4.17Å; E102-H248 IonicContact OE1-CE1 3.66Å; E102-H248 PolarHBondContact OE1-CE1 3.01Å; E102-H248 IonicContact OE1-ND1 2.77Å; E102-H248 PolarHBondContact OE1-ND1 2.96Å; E102-H248 IonicContact OE1-NE2 3.04Å; E102-H248 IonicContact OE2-CE1 3.39Å; E102-H248 PolarHBondContact OE2-CE1 3.22Å; E102-H248 VanDerWaalsContact OE2-CE1 3.28Å; E102-H248 IonicContact OE2-CG 3.88Å; E102-H248 IonicContact OE2-ND1 3.6Å; E102-H248 PolarHBondContact OE2-ND1 3.43Å; E102-H248 VanDerWaalsContact OE2-ND1 3.12Å; E102-H248 IonicContact OE2-NE2 2.66Å |
| 103 | Q | 90.5 | Very high | 91.3 | Very high | 17 Ų | 17 | 28.2 Ų | 28.2 | 8% | 0.079 | 14% | 0.14 | C | C | . | . | trans | -78.8 | 114.5 | 180 | -167.4 | 166.8 | 80.3 | 0 | 0 | 110.4 | M93 G101 Y115 S116 I118 | M93-Q103 HydrophobicContact CE-CG 4.01Å; G101-Q103 VanDerWaalsContact C-N 3.34Å; Q103-Y115 HydrophobicContact CG-CD2 3.78Å; Q103-Y115 VanDerWaalsContact NE2-CE2 3.32Å; Q103-S116 WeakPolarHBondContact CA-OG 3.46Å; Q103-I118 HydrophobicContact CB-CD1 4.33Å | ||
| 104 | K | 92.8 | Very high | 91.5 | Very high | 92 Ų | 92 | 27.9 Ų | 27.9 | 40% | 0.4 | 14% | 0.139 | S | C | . | . | trans | -104.8 | 125.9 | 179.5 | -179.4 | 171.6 | -177.9 | 169.3 | 0 | 110 | E102 Y106 Y115 S116 | E102-K104 PolarHBondContact O-N 3.14Å; K104-Y106 HydrophobicContact CD-CD1 4.48Å; K104-Y106 HydrophobicContact CD-CE1 3.97Å; K104-Y106 HydrophobicContact CG-CE1 4.29Å; K104-Y115 CarbonylContact O-C 3.53Å; K104-Y115 WeakPolarHBondContact O-CA 3.45Å; K104-Y115 WeakPolarHBondContact O-CB 3.47Å; K104-S116 PolarHBondContact N-OG 2.97Å; K104-S116 PolarHBondContact O-N 2.79Å | ||
| 105 | L | 94.7 | Very high | 91.8 | Very high | 12 Ų | 12 | 26.8 Ų | 26.8 | 6% | 0.063 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 122.4 | 170.7 | -177 | 60.9 | 0 | 0 | 0 | 109.7 | I11 I90 M93 V108 L113 | I11-L105 HydrophobicContact CD1-CD2 3.79Å; I11-L105 HydrophobicContact CD1-CG 4.36Å; I11-L105 HydrophobicContact CG2-CD2 4.15Å; I11-L105 HydrophobicContact CG2-CG 4.21Å; I90-L105 HydrophobicContact CG2-CD2 3.83Å; M93-L105 HydrophobicContact CE-CD1 4.37Å; L105-V108 HydrophobicContact CD1-CG2 4.42Å; L105-V108 HydrophobicContact CD2-CG2 4.01Å; L105-L113 HydrophobicContact CD1-CB 3.89Å; L105-L113 HydrophobicContact CD1-CD1 3.98Å |
| 106 | Y | 95.7 | Very high | 92.1 | Very high | 43 Ų | 43 | 27.4 Ų | 27.4 | 17% | 0.169 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | -39.7 | 179.3 | -68.3 | -61.7 | 0 | 0 | 0 | 113.1 | P12 F35 I71 K104 V114 | P12-Y106 WeakPolarHBondContact CD-O 3.26Å; F35-Y106 HydrophobicContact CZ-CD1 4.06Å; F35-Y106 HydrophobicContact CZ-CD2 4.08Å; F35-Y106 HydrophobicContact CZ-CE1 4.17Å; F35-Y106 HydrophobicContact CZ-CE2 4.2Å; F35-Y106 HydrophobicContact CZ-CG 4.02Å; I71-Y106 HydrophobicContact CG2-CD2 4.05Å; I71-Y106 HydrophobicContact CG2-CE2 3.63Å; K104-Y106 HydrophobicContact CD-CD1 4.48Å; K104-Y106 HydrophobicContact CD-CE1 3.97Å; K104-Y106 HydrophobicContact CG-CE1 4.29Å; Y106-V114 WeakPolarHBondContact CA-O 3.28Å; Y106-V114 WeakPolarHBondContact CB-O 3.2Å; Y106-V114 HydrophobicContact CD2-CG1 4.39Å; Y106-V114 PolarHBondContact N-O 2.77Å |
| 107 | A | 95.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.5 | 163.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | P12 I14 I34 L113 V114 | P12-A107 HydrophobicContact CB-CB 4.28Å; P12-A107 WeakPolarHBondContact O-CA 3.44Å; I14-A107 HydrophobicContact CD1-CB 3.64Å; I34-A107 HydrophobicContact CD1-CB 3.47Å; I34-A107 VanDerWaalsContact CD1-CB 3.47Å; I34-A107 HydrophobicContact CG1-CB 3.74Å; A107-L113 WeakPolarHBondContact O-CA 3.49Å; A107-V114 PolarHBondContact N-O 3.4Å; A107-V114 VanDerWaalsContact N-O 3.17Å; A107-V114 PolarHBondContact O-N 3.32Å |
| 108 | V | 94.9 | Very high | 92.3 | Very high | 2 Ų | 2 | 26.7 Ų | 26.7 | 1% | 0.012 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 133.6 | 175.3 | 178.5 | 0 | 0 | 0 | 0 | 107.7 | I11 P12 V13 I14 W87 I90 L105 | I11-V108 HydrophobicContact CG2-CG2 3.89Å; P12-V108 PolarHBondContact O-N 3.11Å; V13-V108 CarbonylContact C-O 3.58Å; V13-V108 WeakPolarHBondContact CA-O 3.48Å; I14-V108 PolarHBondContact N-O 3.05Å; W87-V108 HydrophobicContact CZ3-CG1 4.47Å; I90-V108 HydrophobicContact CD1-CG1 3.73Å; I90-V108 HydrophobicContact CD1-CG2 3.86Å; I90-V108 HydrophobicContact CG1-CG2 4.23Å; I90-V108 HydrophobicContact CG2-CG2 4.36Å; L105-V108 HydrophobicContact CD1-CG2 4.42Å; L105-V108 HydrophobicContact CD2-CG2 4.01Å |
| 109 | F | 94.6 | Very high | 92.5 | Very high | 3 Ų | 3 | 29 Ų | 29 | 1% | 0.013 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 175.9 | 175.7 | 60 | -93.2 | 0 | 0 | 0 | 111.8 | I14 I18 I30 M73 I75 R86 N111 G112 V114 | I14-F109 HydrophobicContact CB-CB 4.27Å; I14-F109 WeakPolarHBondContact O-CA 3.27Å; I18-F109 HydrophobicContact CB-CE2 4.19Å; I18-F109 HydrophobicContact CG1-CD2 4.06Å; I18-F109 HydrophobicContact CG1-CE2 3.57Å; I18-F109 HydrophobicContact CG1-CZ 4.13Å; I30-F109 HydrophobicContact CD1-CB 3.82Å; I30-F109 HydrophobicContact CD1-CD1 3.9Å; I30-F109 HydrophobicContact CD1-CD2 3.87Å; I30-F109 HydrophobicContact CD1-CE1 4.38Å; I30-F109 HydrophobicContact CD1-CE2 4.37Å; I30-F109 HydrophobicContact CD1-CG 3.61Å; I30-F109 HydrophobicContact CG1-CB 4.4Å; I30-F109 HydrophobicContact CG2-CD1 4.29Å; M73-F109 HydrophobicContact CG-CE1 3.86Å; M73-F109 HydrophobicContact CG-CZ 3.86Å; M73-F109 HydrophobicContact SD-CE1 4.36Å; M73-F109 HydrophobicContact SD-CZ 4.23Å; I75-F109 HydrophobicContact CG1-CE2 4.48Å; I75-F109 HydrophobicContact CG1-CZ 4.11Å; R86-F109 PolarHBondContact NH1-O 3.08Å; R86-F109 PolarHBondContact NH2-O 3.4Å; F109-N111 PolarHBondContact O-N 3.05Å; F109-G112 VanDerWaalsContact CD1-C 3.41Å; F109-G112 VanDerWaalsContact CD1-O 3.26Å; F109-G112 WeakPolarHBondContact CD1-O 3.31Å; F109-G112 VanDerWaalsContact CE2-N 3.31Å; F109-G112 WeakPolarHBondContact CG-O 3.4Å; F109-G112 VanDerWaalsContact CZ-C 3.41Å; F109-G112 PolarHBondContact N-O 2.84Å; F109-G112 PolarHBondContact O-N 3.41Å; F109-V114 HydrophobicContact CD1-CG2 4.22Å; F109-V114 HydrophobicContact CE1-CG2 3.99Å |
| 110 | Q | 91.7 | Very high | 92.7 | Very high | 87 Ų | 87 | 30.2 Ų | 30.2 | 41% | 0.407 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | -36.6 | -167 | -74.2 | -166.8 | 1.4 | 0 | 0 | 114.7 | D15 I16 R17 R86 | D15-Q110 PolarHBondContact OD1-NE2 3.07Å; I16-Q110 WeakPolarHBondContact O-CB 3.41Å; I16-Q110 PolarHBondContact O-N 2.82Å; R17-Q110 HydrophobicContact CB-CB 4.15Å; R17-Q110 HydrophobicContact CG-CB 4.33Å; R86-Q110 VanDerWaalsContact NH1-C 3.32Å; R86-Q110 PolarHBondContact NH1-O 3.22Å |
| 111 | N | 91 | Very high | 93.1 | Very high | 7 Ų | 7 | 33.6 Ų | 33.6 | 4% | 0.037 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -131.1 | 31.9 | -179.2 | 67.9 | -43.7 | 0 | 0 | 0 | 113.6 | R17 I18 I75 R76 F109 | R17-N111 HydrophobicContact CG-CB 4.3Å; R17-N111 WeakPolarHBondContact CG-OD1 3.32Å; I18-N111 PolarHBondContact N-OD1 3.38Å; I18-N111 PolarHBondContact O-ND2 2.92Å; I75-N111 WeakPolarHBondContact CG2-ND2 3.29Å; R76-N111 WeakPolarHBondContact CB-O 3.45Å; R76-N111 PolarHBondContact N-O 3.49Å; F109-N111 PolarHBondContact O-N 3.05Å |
| 112 | G | 92.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 175 | -173.1 | 178 | 0 | 0 | 0 | 0 | 0 | 115.4 | R74 R86 F109 | R74-G112 CarbonylContact O-C 3.41Å; R74-G112 WeakPolarHBondContact O-CA 3.49Å; R86-G112 PolarHBondContact NH2-O 3.03Å; F109-G112 VanDerWaalsContact CD1-C 3.41Å; F109-G112 VanDerWaalsContact CD1-O 3.26Å; F109-G112 WeakPolarHBondContact CD1-O 3.31Å; F109-G112 VanDerWaalsContact CE2-N 3.31Å; F109-G112 WeakPolarHBondContact CG-O 3.4Å; F109-G112 VanDerWaalsContact CZ-C 3.41Å; F109-G112 PolarHBondContact N-O 2.84Å; F109-G112 PolarHBondContact O-N 3.41Å |
| 113 | L | 94.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 153.9 | -173.3 | 57 | 113.2 | 0 | 0 | 0 | 111.9 | M73 R74 M93 L105 A107 Y115 | M73-L113 WeakPolarHBondContact CA-O 3Å; R74-L113 HydrophobicContact CB-CG 4.24Å; R74-L113 PolarHBondContact N-O 3.13Å; R74-L113 PolarHBondContact O-N 3.32Å; M93-L113 HydrophobicContact CE-CD1 3.85Å; M93-L113 HydrophobicContact SD-CD1 3.77Å; L105-L113 HydrophobicContact CD1-CB 3.89Å; L105-L113 HydrophobicContact CD1-CD1 3.98Å; A107-L113 WeakPolarHBondContact O-CA 3.49Å; L113-Y115 HydrophobicContact CD1-CD1 3.3Å; L113-Y115 HydrophobicContact CD1-CE1 3.63Å; L113-Y115 HydrophobicContact CD1-CG 4Å; L113-Y115 HydrophobicContact CG-CD1 4.37Å |
| 114 | V | 96.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 127.8 | 177.2 | -177.1 | 0 | 0 | 0 | 0 | 108.8 | I30 I31 I34 I71 L72 M73 Y106 A107 F109 | I30-V114 HydrophobicContact CG2-CG2 3.86Å; I31-V114 HydrophobicContact CD1-CG1 4.48Å; I34-V114 HydrophobicContact CD1-CB 3.76Å; I34-V114 HydrophobicContact CD1-CG1 3.82Å; I34-V114 HydrophobicContact CD1-CG2 3.83Å; I71-V114 HydrophobicContact CB-CG1 4.48Å; I71-V114 HydrophobicContact CD1-CG1 3.93Å; L72-V114 CarbonylContact O-C 3.5Å; L72-V114 VanDerWaalsContact O-CA 3.3Å; L72-V114 WeakPolarHBondContact O-CA 3.08Å; M73-V114 HydrophobicContact CB-CG2 4.45Å; M73-V114 HydrophobicContact CE-CG2 3.83Å; M73-V114 HydrophobicContact CG-CG2 4.28Å; Y106-V114 WeakPolarHBondContact CA-O 3.28Å; Y106-V114 WeakPolarHBondContact CB-O 3.2Å; Y106-V114 HydrophobicContact CD2-CG1 4.39Å; Y106-V114 PolarHBondContact N-O 2.77Å; A107-V114 PolarHBondContact N-O 3.4Å; A107-V114 VanDerWaalsContact N-O 3.17Å; A107-V114 PolarHBondContact O-N 3.32Å; F109-V114 HydrophobicContact CD1-CG2 4.22Å; F109-V114 HydrophobicContact CE1-CG2 3.99Å |
| 115 | Y | 96.2 | Very high | 94.5 | Very high | 7 Ų | 7 | 29.1 Ų | 29.1 | 3% | 0.027 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 165.3 | -170.6 | 60.1 | -72.8 | 0 | 0 | 0 | 112.1 | I71 L72 R74 M93 Q103 K104 L113 | I71-Y115 WeakPolarHBondContact CA-O 3.48Å; L72-Y115 HydrophobicContact CB-CD1 4.03Å; L72-Y115 HydrophobicContact CB-CD2 4.21Å; L72-Y115 HydrophobicContact CB-CE1 3.64Å; L72-Y115 HydrophobicContact CB-CE2 3.85Å; L72-Y115 HydrophobicContact CB-CG 4.34Å; L72-Y115 HydrophobicContact CD1-CD2 4.35Å; L72-Y115 HydrophobicContact CD1-CE2 3.54Å; L72-Y115 HydrophobicContact CG-CE2 4.27Å; L72-Y115 PolarHBondContact N-O 2.77Å; L72-Y115 WeakPolarHBondContact O-CD1 3.21Å; L72-Y115 PolarHBondContact O-N 3.29Å; R74-Y115 HydrophobicContact CB-CE1 3.77Å; R74-Y115 PolarHBondContact NE-OH 3.2Å; M93-Y115 HydrophobicContact CE-CD2 4.03Å; M93-Y115 HydrophobicContact CE-CG 3.9Å; Q103-Y115 HydrophobicContact CG-CD2 3.78Å; Q103-Y115 VanDerWaalsContact NE2-CE2 3.32Å; K104-Y115 CarbonylContact O-C 3.53Å; K104-Y115 WeakPolarHBondContact O-CA 3.45Å; K104-Y115 WeakPolarHBondContact O-CB 3.47Å; L113-Y115 HydrophobicContact CD1-CD1 3.3Å; L113-Y115 HydrophobicContact CD1-CE1 3.63Å; L113-Y115 HydrophobicContact CD1-CG 4Å; L113-Y115 HydrophobicContact CG-CD1 4.37Å |
| 116 | S | 95.5 | Very high | 94.6 | Very high | 13 Ų | 13 | 33.7 Ų | 33.7 | 9% | 0.091 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 144.3 | 179.1 | 62.8 | 0 | 0 | 0 | 0 | 112.1 | E102 Q103 K104 | E102-S116 PolarHBondContact O-OG 2.7Å; Q103-S116 WeakPolarHBondContact CA-OG 3.46Å; K104-S116 PolarHBondContact N-OG 2.97Å; K104-S116 PolarHBondContact O-N 2.79Å |
| 117 | F | 94.8 | Very high | 94.6 | Very high | 45 Ų | 45 | 33.8 Ų | 33.8 | 20% | 0.197 | 19% | 0.194 | C | C | . | . | P | Polyproline II helix | trans | -83.5 | 137.4 | 167.7 | 177.5 | -105.2 | 0 | 0 | 0 | 109.9 | T70 L72 N119 | T70-F117 HydrophobicContact CG2-CB 3.48Å; T70-F117 VanDerWaalsContact CG2-CB 3.48Å; T70-F117 HydrophobicContact CG2-CD1 3.66Å; T70-F117 HydrophobicContact CG2-CD2 4.27Å; T70-F117 HydrophobicContact CG2-CE1 4.47Å; T70-F117 HydrophobicContact CG2-CG 3.54Å; T70-F117 WeakPolarHBondContact O-CB 3.47Å; T70-F117 PolarHBondContact O-N 3.38Å; L72-F117 HydrophobicContact CD1-CD2 4.07Å; L72-F117 HydrophobicContact CD2-CD2 3.92Å; L72-F117 HydrophobicContact CG-CB 4.24Å; L72-F117 HydrophobicContact CG-CD2 4.04Å; F117-N119 WeakPolarHBondContact CD1-OD1 3.14Å; F117-N119 WeakPolarHBondContact CE1-OD1 3.18Å |
| 118 | I | 93.2 | Very high | 94.7 | Very high | 13 Ų | 13 | 33.8 Ų | 33.8 | 7% | 0.067 | 19% | 0.194 | C | C | . | . | P | Polyproline II helix | trans | -94.4 | 124.4 | 171.6 | -59.2 | -173.1 | 0 | 0 | 0 | 108 | E102 Q103 G120 V239 H248 I250 | E102-I118 HydrophobicContact CB-CD1 4.17Å; Q103-I118 HydrophobicContact CB-CD1 4.33Å; I118-G120 PolarHBondContact O-N 2.85Å; I118-V239 HydrophobicContact CG2-CG1 4.12Å; I118-H248 HydrophobicContact CD1-CB 4.06Å; I118-H248 HydrophobicContact CG2-CB 3.94Å; I118-I250 HydrophobicContact CD1-CG2 3.74Å; I118-I250 HydrophobicContact CG1-CG2 4.35Å |
| 119 | N | 92.2 | Very high | 94.7 | Very high | 118 Ų | 118 | 37.2 Ų | 37.2 | 63% | 0.631 | 22% | 0.218 | S | C | * | . | S | Bend | trans | -71 | 125.9 | -178.5 | -75.5 | -34.7 | 0 | 0 | 0 | 111.5 | F117 | F117-N119 WeakPolarHBondContact CD1-OD1 3.14Å; F117-N119 WeakPolarHBondContact CE1-OD1 3.18Å |
| 120 | G | 93.9 | Very high | 94.8 | Very high | 27 Ų | 27 | 41.3 Ų | 41.3 | 28% | 0.278 | 24% | 0.239 | S | C | . | . | S | Bend | trans | 151.5 | -168.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | I118 M240 | I118-G120 PolarHBondContact O-N 2.85Å; G120-M240 CarbonylContact C-O 3.46Å; G120-M240 WeakPolarHBondContact CA-O 3.36Å |
| 121 | S | 94.4 | Very high | 94.9 | Very high | 90 Ų | 90 | 40.3 Ų | 40.3 | 63% | 0.629 | 24% | 0.241 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 149.3 | 173.2 | -59.8 | 0 | 0 | 0 | 0 | 109.2 | M240 | S121-M240 PolarHBondContact N-O 2.65Å; S121-M240 PolarHBondContact O-N 3.29Å |
| 122 | T | 95.3 | Very high | 95.1 | Very high | 49 Ų | 49 | 44.9 Ų | 44.9 | 30% | 0.301 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 139.6 | 172.5 | 56.3 | 0 | 0 | 0 | 0 | 110.1 | G236 I238 V239 | T122-G236 WeakPolarHBondContact CG2-O 3.11Å; T122-I238 CarbonylContact C-O 3.45Å; T122-I238 WeakPolarHBondContact CA-O 3.43Å; T122-V239 HydrophobicContact CG2-CG2 4.5Å |
| 123 | I | 96 | Very high | 95.3 | Very high | 7 Ų | 7 | 45.8 Ų | 45.8 | 4% | 0.036 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -66.7 | 152.1 | 175.3 | -164.5 | 175.2 | 0 | 0 | 0 | 110.4 | K127 F128 Y133 I137 A235 I238 M240 | I123-K127 HydrophobicContact CD1-CB 3.71Å; I123-K127 HydrophobicContact CD1-CD 4.43Å; I123-K127 HydrophobicContact CG1-CB 3.61Å; I123-K127 HydrophobicContact CG1-CD 3.82Å; I123-K127 HydrophobicContact CG1-CG 4.3Å; I123-F128 HydrophobicContact CD1-CD1 4.12Å; I123-F128 HydrophobicContact CD1-CE1 4.32Å; I123-F128 HydrophobicContact CG2-CD1 4.3Å; I123-F128 HydrophobicContact CG2-CE1 3.55Å; I123-F128 HydrophobicContact CG2-CZ 4.4Å; I123-Y133 HydrophobicContact CD1-CG 4.33Å; I123-I137 HydrophobicContact CD1-CD1 4.01Å; I123-A235 HydrophobicContact CG2-CB 4.25Å; I123-A235 WeakPolarHBondContact O-CB 3.38Å; I123-I238 HydrophobicContact CG2-CB 3.7Å; I123-I238 HydrophobicContact CG2-CD1 4.43Å; I123-I238 HydrophobicContact CG2-CG2 3.93Å; I123-I238 PolarHBondContact N-O 2.97Å; I123-M240 HydrophobicContact CB-CE 3.98Å; I123-M240 HydrophobicContact CD1-CE 3.39Å; I123-M240 HydrophobicContact CG1-CE 3.5Å; I123-M240 VanDerWaalsContact CG1-CE 3.5Å |
| 124 | S | 95.3 | Very high | 95.4 | Very high | 47 Ų | 47 | 45.8 Ų | 45.8 | 33% | 0.329 | 27% | 0.265 | S | S | . | . | P | Polyproline II helix | trans | -96.1 | 154.1 | 171.5 | 58.8 | 0 | 0 | 0 | 0 | 111.2 | D126 K127 | S124-D126 VanDerWaalsContact C-N 3.26Å; S124-D126 WeakPolarHBondContact CB-OD1 3.44Å; S124-D126 PolarHBondContact O-N 3.41Å; S124-D126 PolarHBondContact OG-OD1 3.28Å; S124-D126 PolarHBondContact OG-OD2 3.03Å; S124-K127 WeakPolarHBondContact O-CB 3.4Å; S124-K127 PolarHBondContact O-N 3.42Å |
| 125 | V | 96.6 | Very high | 95.4 | Very high | 41 Ų | 41 | 47.6 Ų | 47.6 | 25% | 0.248 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -60.8 | -33.9 | -175.6 | 174.5 | 0 | 0 | 0 | 0 | 112.6 | K127 F128 A235 F271 | V125-K127 PolarHBondContact O-N 3.45Å; V125-F128 HydrophobicContact CG1-CD2 4.37Å; V125-F128 VanDerWaalsContact O-CB 3.32Å; V125-F128 WeakPolarHBondContact O-CB 3.45Å; V125-F128 PolarHBondContact O-N 3.22Å; V125-A235 HydrophobicContact CG2-CB 3.91Å; V125-F271 WeakPolarHBondContact CG1-O 3.27Å |
| 126 | D | 95.2 | Very high | 95.4 | Very high | 108 Ų | 108 | 48.1 Ų | 48.1 | 58% | 0.578 | 28% | 0.276 | S | S | * | . | G | 310 helix | trans | -60.6 | -27.5 | 176.9 | 59.4 | -71.8 | 0 | 0 | 0 | 113 | S124 F128 S129 | S124-D126 VanDerWaalsContact C-N 3.26Å; S124-D126 WeakPolarHBondContact CB-OD1 3.44Å; S124-D126 PolarHBondContact O-N 3.41Å; S124-D126 PolarHBondContact OG-OD1 3.28Å; S124-D126 PolarHBondContact OG-OD2 3.03Å; D126-F128 VanDerWaalsContact C-N 3.33Å; D126-S129 PolarHBondContact O-OG 2.76Å |
| 127 | K | 96.4 | Very high | 95.5 | Very high | 45 Ų | 45 | 47.5 Ų | 47.5 | 20% | 0.196 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -75.9 | -18.5 | 176.9 | -72.2 | -172.5 | 171.1 | -160.4 | 0 | 112.9 | I123 S124 V125 S129 M130 Y133 M240 E244 | I123-K127 HydrophobicContact CD1-CB 3.71Å; I123-K127 HydrophobicContact CD1-CD 4.43Å; I123-K127 HydrophobicContact CG1-CB 3.61Å; I123-K127 HydrophobicContact CG1-CD 3.82Å; I123-K127 HydrophobicContact CG1-CG 4.3Å; S124-K127 WeakPolarHBondContact O-CB 3.4Å; S124-K127 PolarHBondContact O-N 3.42Å; V125-K127 PolarHBondContact O-N 3.45Å; K127-S129 VanDerWaalsContact C-N 3.31Å; K127-S129 PolarHBondContact O-N 3.17Å; K127-M130 HydrophobicContact CG-SD 4.23Å; K127-M130 PolarHBondContact O-N 3.17Å; K127-Y133 HydrophobicContact CB-CD2 3.52Å; K127-Y133 HydrophobicContact CB-CE2 3.94Å; K127-Y133 HydrophobicContact CB-CG 4.17Å; K127-Y133 HydrophobicContact CD-CD2 3.94Å; K127-Y133 HydrophobicContact CD-CE1 4.35Å; K127-Y133 HydrophobicContact CD-CE2 3.61Å; K127-Y133 HydrophobicContact CD-CG 4.45Å; K127-Y133 HydrophobicContact CG-CD2 3.79Å; K127-Y133 HydrophobicContact CG-CE2 3.63Å; K127-Y133 PolarHBondContact NZ-OH 2.81Å; K127-M240 HydrophobicContact CD-CE 4.23Å; K127-E244 IonicContact NZ-OE1 2.76Å; K127-E244 PolarHBondContact NZ-OE1 3.5Å |
| 128 | F | 97.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -37.4 | -178.8 | -72.7 | -10.5 | 0 | 0 | 0 | 113 | I123 V125 D126 M130 I137 A235 I238 H267 E270 F271 Y287 | I123-F128 HydrophobicContact CD1-CD1 4.12Å; I123-F128 HydrophobicContact CD1-CE1 4.32Å; I123-F128 HydrophobicContact CG2-CD1 4.3Å; I123-F128 HydrophobicContact CG2-CE1 3.55Å; I123-F128 HydrophobicContact CG2-CZ 4.4Å; V125-F128 HydrophobicContact CG1-CD2 4.37Å; V125-F128 VanDerWaalsContact O-CB 3.32Å; V125-F128 WeakPolarHBondContact O-CB 3.45Å; V125-F128 PolarHBondContact O-N 3.22Å; D126-F128 VanDerWaalsContact C-N 3.33Å; F128-M130 VanDerWaalsContact C-N 3.29Å; F128-M130 PolarHBondContact O-N 3.44Å; F128-I137 HydrophobicContact CD1-CD1 3.84Å; F128-I137 HydrophobicContact CE1-CD1 3.97Å; F128-A235 HydrophobicContact CE1-CB 4.24Å; F128-A235 HydrophobicContact CE2-CB 4.35Å; F128-A235 HydrophobicContact CZ-CB 3.72Å; F128-I238 HydrophobicContact CE1-CD1 3.96Å; F128-I238 HydrophobicContact CZ-CD1 4.12Å; F128-H267 AromaticContact CD2-CE1 3.99Å; F128-H267 AromaticContact CE1-CE1 3.78Å; F128-H267 AromaticContact CE2-CE1 3.73Å; F128-H267 AromaticContact CZ-CE1 3.6Å; F128-E270 HydrophobicContact CE2-CB 4.3Å; F128-F271 HydrophobicContact CB-CD1 4.13Å; F128-F271 HydrophobicContact CB-CD2 4.24Å; F128-F271 HydrophobicContact CB-CE1 3.66Å; F128-F271 HydrophobicContact CB-CE2 3.78Å; F128-F271 HydrophobicContact CB-CG 4.41Å; F128-F271 HydrophobicContact CB-CZ 3.48Å; F128-F271 VanDerWaalsContact CB-CZ 3.48Å; F128-F271 AromaticContact CD2-CD2 3.63Å; F128-F271 HydrophobicContact CD2-CD2 3.63Å; F128-F271 AromaticContact CD2-CE2 3.76Å; F128-F271 HydrophobicContact CD2-CE2 3.76Å; F128-F271 HydrophobicContact CD2-CG 4.09Å; F128-F271 HydrophobicContact CD2-CZ 4.34Å; F128-F271 HydrophobicContact CE2-CD2 4.4Å; F128-F271 HydrophobicContact CG-CD2 4.38Å; F128-F271 HydrophobicContact CG-CE2 4.12Å; F128-F271 HydrophobicContact CG-CZ 4.31Å; F128-Y287 PolarHBondContact O-OH 3.08Å |
| 129 | S | 94.8 | Very high | 95.8 | Very high | 74 Ų | 74 | 44.9 Ų | 44.9 | 52% | 0.517 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -13.5 | -179.4 | 63.2 | 0 | 0 | 0 | 0 | 113.5 | D126 K127 | D126-S129 PolarHBondContact O-OG 2.76Å; K127-S129 VanDerWaalsContact C-N 3.31Å; K127-S129 PolarHBondContact O-N 3.17Å |
| 130 | M | 96.8 | Very high | 96 | Very high | 90 Ų | 90 | 40.1 Ų | 40.1 | 44% | 0.443 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -79.7 | 127.2 | -179.5 | -58.9 | 175.6 | 63.9 | 0 | 0 | 110.9 | K127 F128 K132 Y133 S134 | K127-M130 HydrophobicContact CG-SD 4.23Å; K127-M130 PolarHBondContact O-N 3.17Å; F128-M130 VanDerWaalsContact C-N 3.29Å; F128-M130 PolarHBondContact O-N 3.44Å; M130-K132 VanDerWaalsContact C-N 3.28Å; M130-K132 PolarHBondContact O-N 2.77Å; M130-K132 VanDerWaalsContact O-N 3.13Å; M130-Y133 HydrophobicContact CB-CD2 3.84Å; M130-Y133 HydrophobicContact CB-CE2 4.33Å; M130-Y133 HydrophobicContact CE-CD2 4.35Å; M130-Y133 HydrophobicContact CE-CE2 3.7Å; M130-Y133 HydrophobicContact CG-CD2 4.43Å; M130-Y133 PolarHBondContact O-N 3.39Å; M130-Y133 VanDerWaalsContact O-N 3.11Å; M130-Y133 HydrophobicContact SD-CD2 3.95Å; M130-Y133 HydrophobicContact SD-CE2 3.61Å; M130-S134 WeakPolarHBondContact O-CB 3.24Å; M130-S134 PolarHBondContact O-N 3.34Å |
| 131 | S | 94.7 | Very high | 96.2 | Very high | 66 Ų | 66 | 38.9 Ų | 38.9 | 46% | 0.462 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -50.9 | -43.9 | -174.1 | -160 | 0 | 0 | 0 | 0 | 113.5 | Y133 S134 E135 | S131-Y133 PolarHBondContact O-N 2.85Å; S131-S134 PolarHBondContact O-N 2.83Å; S131-E135 WeakPolarHBondContact O-CB 3.23Å; S131-E135 VanDerWaalsContact O-CG 3.31Å; S131-E135 WeakPolarHBondContact O-CG 3.5Å; S131-E135 PolarHBondContact O-N 2.93Å; S131-E135 PolarHBondContact OG-OE1 3.04Å |
| 132 | K | 94.9 | Very high | 96.3 | Very high | 103 Ų | 103 | 34.6 Ų | 34.6 | 45% | 0.448 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -52.8 | -53.7 | 179.2 | 178.6 | -171.4 | 173.5 | -170.4 | 0 | 111.7 | M130 L136 E244 | M130-K132 VanDerWaalsContact C-N 3.28Å; M130-K132 PolarHBondContact O-N 2.77Å; M130-K132 VanDerWaalsContact O-N 3.13Å; K132-L136 WeakPolarHBondContact O-CG 3.28Å; K132-L136 PolarHBondContact O-N 3.14Å; K132-E244 WeakPolarHBondContact CE-O 3.1Å; K132-E244 IonicContact NZ-OE2 3.57Å; K132-E244 PolarHBondContact NZ-OE2 3.47Å |
| 133 | Y | 96.6 | Very high | 96.3 | Very high | 18 Ų | 18 | 33 Ų | 33 | 7% | 0.071 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -81 | -33.7 | -174.2 | -50.7 | -63.7 | 0 | 0 | 0 | 112 | I123 K127 M130 S131 E135 L136 I137 M240 E244 | I123-Y133 HydrophobicContact CD1-CG 4.33Å; K127-Y133 HydrophobicContact CB-CD2 3.52Å; K127-Y133 HydrophobicContact CB-CE2 3.94Å; K127-Y133 HydrophobicContact CB-CG 4.17Å; K127-Y133 HydrophobicContact CD-CD2 3.94Å; K127-Y133 HydrophobicContact CD-CE1 4.35Å; K127-Y133 HydrophobicContact CD-CE2 3.61Å; K127-Y133 HydrophobicContact CD-CG 4.45Å; K127-Y133 HydrophobicContact CG-CD2 3.79Å; K127-Y133 HydrophobicContact CG-CE2 3.63Å; K127-Y133 PolarHBondContact NZ-OH 2.81Å; M130-Y133 HydrophobicContact CB-CD2 3.84Å; M130-Y133 HydrophobicContact CB-CE2 4.33Å; M130-Y133 HydrophobicContact CE-CD2 4.35Å; M130-Y133 HydrophobicContact CE-CE2 3.7Å; M130-Y133 HydrophobicContact CG-CD2 4.43Å; M130-Y133 PolarHBondContact O-N 3.39Å; M130-Y133 VanDerWaalsContact O-N 3.11Å; M130-Y133 HydrophobicContact SD-CD2 3.95Å; M130-Y133 HydrophobicContact SD-CE2 3.61Å; S131-Y133 PolarHBondContact O-N 2.85Å; Y133-E135 VanDerWaalsContact C-N 3.29Å; Y133-E135 PolarHBondContact O-N 3.34Å; Y133-L136 PolarHBondContact O-N 3.04Å; Y133-I137 VanDerWaalsContact O-CG1 3.3Å; Y133-I137 WeakPolarHBondContact O-CG1 3.46Å; Y133-I137 PolarHBondContact O-N 2.88Å; Y133-M240 HydrophobicContact CD1-CE 3.39Å; Y133-M240 HydrophobicContact CD1-SD 3.68Å; Y133-M240 HydrophobicContact CE1-CE 3.76Å; Y133-M240 HydrophobicContact CE1-SD 3.47Å; Y133-M240 WeakPolarHBondContact CE1-SD 3.34Å; Y133-M240 HydrophobicContact CG-CE 4.03Å; Y133-E244 HydrophobicContact CE1-CB 4.34Å; Y133-E244 PolarHBondContact OH-OE1 2.85Å; Y133-E244 PolarHBondContact OH-OE2 3.12Å |
| 134 | S | 97.1 | Very high | 96.3 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.007 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -54.9 | -46.3 | 172.1 | -175.7 | 0 | 0 | 0 | 0 | 111.3 | M130 S131 L136 I137 I138 Y287 | M130-S134 WeakPolarHBondContact O-CB 3.24Å; M130-S134 PolarHBondContact O-N 3.34Å; S131-S134 PolarHBondContact O-N 2.83Å; S134-L136 PolarHBondContact O-N 3Å; S134-I137 PolarHBondContact O-N 3Å; S134-I138 WeakPolarHBondContact O-CB 3.4Å; S134-I138 WeakPolarHBondContact O-CD1 3.36Å; S134-I138 WeakPolarHBondContact O-CG1 3.38Å; S134-I138 PolarHBondContact O-N 2.84Å; S134-Y287 VanDerWaalsContact CB-OH 3.29Å; S134-Y287 WeakPolarHBondContact CB-OH 3.48Å; S134-Y287 PolarHBondContact OG-OH 3.33Å |
| 135 | E | 96.3 | Very high | 96.3 | Very high | 38 Ų | 38 | 31.1 Ų | 31.1 | 18% | 0.178 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.8 | -44 | 177.4 | -76.1 | 167.3 | -162.9 | 0 | 0 | 112.6 | S131 Y133 I137 I138 E139 K294 I332 | S131-E135 WeakPolarHBondContact O-CB 3.23Å; S131-E135 VanDerWaalsContact O-CG 3.31Å; S131-E135 WeakPolarHBondContact O-CG 3.5Å; S131-E135 PolarHBondContact O-N 2.93Å; S131-E135 PolarHBondContact OG-OE1 3.04Å; Y133-E135 VanDerWaalsContact C-N 3.29Å; Y133-E135 PolarHBondContact O-N 3.34Å; E135-I137 VanDerWaalsContact C-N 3.31Å; E135-I137 PolarHBondContact O-N 3.39Å; E135-I138 PolarHBondContact O-N 3.43Å; E135-E139 WeakPolarHBondContact O-CG 3.36Å; E135-E139 PolarHBondContact O-N 3.04Å; E135-K294 HydrophobicContact CG-CD 4.08Å; E135-K294 IonicContact OE1-NZ 2.83Å; E135-K294 PolarHBondContact OE1-NZ 2.98Å; E135-I332 HydrophobicContact CB-CD1 4.35Å; E135-I332 HydrophobicContact CG-CD1 4.33Å |
| 136 | L | 96.6 | Very high | 96.3 | Very high | 17 Ų | 17 | 29.6 Ų | 29.6 | 9% | 0.089 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.7 | -41.6 | 176 | -63.2 | 178.5 | 0 | 0 | 0 | 112 | K132 Y133 S134 Q140 K245 V247 | K132-L136 WeakPolarHBondContact O-CG 3.28Å; K132-L136 PolarHBondContact O-N 3.14Å; Y133-L136 PolarHBondContact O-N 3.04Å; S134-L136 PolarHBondContact O-N 3Å; L136-Q140 WeakPolarHBondContact O-CB 3.46Å; L136-Q140 PolarHBondContact O-N 3.22Å; L136-Q140 VanDerWaalsContact O-N 3.07Å; L136-K245 WeakPolarHBondContact CD2-O 3.21Å; L136-V247 HydrophobicContact CB-CG1 3.94Å; L136-V247 HydrophobicContact CB-CG2 4.1Å; L136-V247 HydrophobicContact CD1-CG1 4.34Å; L136-V247 WeakPolarHBondContact O-CG2 3.33Å |
| 137 | I | 97.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -66.2 | -47 | 177 | -64.7 | 164.5 | 0 | 0 | 0 | 110.2 | I123 F128 Y133 S134 E135 E139 Q140 V141 I238 V247 | I123-I137 HydrophobicContact CD1-CD1 4.01Å; F128-I137 HydrophobicContact CD1-CD1 3.84Å; F128-I137 HydrophobicContact CE1-CD1 3.97Å; Y133-I137 VanDerWaalsContact O-CG1 3.3Å; Y133-I137 WeakPolarHBondContact O-CG1 3.46Å; Y133-I137 PolarHBondContact O-N 2.88Å; S134-I137 PolarHBondContact O-N 3Å; E135-I137 VanDerWaalsContact C-N 3.31Å; E135-I137 PolarHBondContact O-N 3.39Å; I137-E139 VanDerWaalsContact C-N 3.32Å; I137-E139 PolarHBondContact O-N 3.31Å; I137-Q140 PolarHBondContact O-N 3.38Å; I137-V141 HydrophobicContact CG2-CG2 4.19Å; I137-V141 WeakPolarHBondContact O-CG2 3.47Å; I137-V141 PolarHBondContact O-N 3.4Å; I137-I238 HydrophobicContact CD1-CD1 4.21Å; I137-I238 HydrophobicContact CG1-CD1 4.36Å; I137-I238 HydrophobicContact CG1-CG2 4.28Å; I137-I238 HydrophobicContact CG2-CD1 4.42Å; I137-V247 HydrophobicContact CG1-CG2 4.29Å |
| 138 | I | 97.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -53.9 | -50.4 | 177.1 | -72.7 | 160.5 | 0 | 0 | 0 | 110.6 | S134 E135 Q140 V141 A142 W291 K294 Y295 I332 | S134-I138 WeakPolarHBondContact O-CB 3.4Å; S134-I138 WeakPolarHBondContact O-CD1 3.36Å; S134-I138 WeakPolarHBondContact O-CG1 3.38Å; S134-I138 PolarHBondContact O-N 2.84Å; E135-I138 PolarHBondContact O-N 3.43Å; I138-Q140 VanDerWaalsContact C-N 3.32Å; I138-Q140 PolarHBondContact O-N 3.11Å; I138-V141 PolarHBondContact O-N 2.84Å; I138-A142 VanDerWaalsContact O-CB 3.26Å; I138-A142 WeakPolarHBondContact O-CB 3.43Å; I138-A142 PolarHBondContact O-N 2.71Å; I138-W291 HydrophobicContact CB-CZ2 4.39Å; I138-W291 HydrophobicContact CD1-CB 4.38Å; I138-W291 HydrophobicContact CD1-CD2 4.1Å; I138-W291 HydrophobicContact CD1-CG 3.8Å; I138-W291 HydrophobicContact CG1-CD2 3.58Å; I138-W291 HydrophobicContact CG1-CE3 4.25Å; I138-W291 HydrophobicContact CG1-CG 3.82Å; I138-W291 HydrophobicContact CG1-CH2 4.26Å; I138-W291 HydrophobicContact CG1-CZ2 3.64Å; I138-W291 VanDerWaalsContact CG1-NE1 3.31Å; I138-K294 HydrophobicContact CD1-CB 4.02Å; I138-K294 HydrophobicContact CD1-CD 4.13Å; I138-K294 HydrophobicContact CG2-CB 3.96Å; I138-Y295 VanDerWaalsContact CG2-CA 3.48Å; I138-I332 HydrophobicContact CG2-CD1 4.17Å |
| 139 | E | 95.5 | Very high | 95.6 | Very high | 4 Ų | 4 | 23.8 Ų | 23.8 | 2% | 0.019 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -61.9 | -41.5 | -179.9 | -71.7 | -167.6 | 165.5 | 0 | 0 | 111.7 | E135 I137 A142 R143 Y302 H328 S329 C331 I332 | E135-E139 WeakPolarHBondContact O-CG 3.36Å; E135-E139 PolarHBondContact O-N 3.04Å; I137-E139 VanDerWaalsContact C-N 3.32Å; I137-E139 PolarHBondContact O-N 3.31Å; E139-A142 PolarHBondContact O-N 3.32Å; E139-R143 VanDerWaalsContact O-CB 3.32Å; E139-R143 WeakPolarHBondContact O-CB 3.47Å; E139-R143 PolarHBondContact O-N 2.79Å; E139-Y302 HydrophobicContact CB-CE2 4.44Å; E139-Y302 WeakPolarHBondContact O-CE2 3.4Å; E139-H328 VanDerWaalsContact OE2-O 3.1Å; E139-S329 VanDerWaalsContact OE1-C 3.29Å; E139-S329 WeakPolarHBondContact OE2-CA 3.31Å; E139-S329 PolarHBondContact OE2-N 3.49Å; E139-C331 PolarHBondContact OE1-N 2.76Å; E139-C331 PolarHBondContact OE1-SG 2.89Å; E139-I332 HydrophobicContact CG-CD1 3.61Å; E139-I332 HydrophobicContact CG-CG1 3.99Å |
| 140 | Q | 96 | Very high | 95.2 | Very high | 18 Ų | 18 | 24.5 Ų | 24.5 | 8% | 0.084 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -71.2 | -37.9 | -179.4 | -174.2 | 64.1 | -4.3 | 0 | 0 | 112.7 | L136 I137 I138 R143 L144 V247 F249 P327 | L136-Q140 WeakPolarHBondContact O-CB 3.46Å; L136-Q140 PolarHBondContact O-N 3.22Å; L136-Q140 VanDerWaalsContact O-N 3.07Å; I137-Q140 PolarHBondContact O-N 3.38Å; I138-Q140 VanDerWaalsContact C-N 3.32Å; I138-Q140 PolarHBondContact O-N 3.11Å; Q140-R143 PolarHBondContact O-N 2.81Å; Q140-L144 WeakPolarHBondContact O-CB 3.28Å; Q140-L144 PolarHBondContact O-N 2.97Å; Q140-V247 HydrophobicContact CB-CG2 3.76Å; Q140-V247 HydrophobicContact CG-CG2 4.21Å; Q140-F249 HydrophobicContact CB-CE1 4.21Å; Q140-F249 HydrophobicContact CB-CE2 4.08Å; Q140-F249 HydrophobicContact CB-CZ 3.7Å; Q140-F249 HydrophobicContact CG-CD1 4.18Å; Q140-F249 HydrophobicContact CG-CD2 3.85Å; Q140-F249 HydrophobicContact CG-CE1 3.84Å; Q140-F249 HydrophobicContact CG-CE2 3.5Å; Q140-F249 HydrophobicContact CG-CG 4.17Å; Q140-F249 HydrophobicContact CG-CZ 3.48Å; Q140-F249 VanDerWaalsContact CG-CZ 3.48Å; Q140-P327 VanDerWaalsContact OE1-CG 3.26Å |
| 141 | V | 97.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -62.8 | -46.8 | 171.3 | 177.6 | 0 | 0 | 0 | 0 | 110.2 | I137 I138 R143 L144 H145 L233 F249 W291 Y295 | I137-V141 HydrophobicContact CG2-CG2 4.19Å; I137-V141 WeakPolarHBondContact O-CG2 3.47Å; I137-V141 PolarHBondContact O-N 3.4Å; I138-V141 PolarHBondContact O-N 2.84Å; V141-R143 VanDerWaalsContact C-N 3.34Å; V141-R143 PolarHBondContact O-N 3.43Å; V141-L144 PolarHBondContact O-N 2.75Å; V141-H145 VanDerWaalsContact CG1-CE1 3.41Å; V141-H145 WeakPolarHBondContact CG1-CE1 3.3Å; V141-H145 WeakPolarHBondContact O-CB 3.46Å; V141-H145 VanDerWaalsContact O-CG 3.24Å; V141-H145 PolarHBondContact O-N 3.18Å; V141-L233 HydrophobicContact CG1-CD1 4.48Å; V141-L233 HydrophobicContact CG2-CD1 3.62Å; V141-F249 HydrophobicContact CG2-CE2 3.9Å; V141-F249 HydrophobicContact CG2-CZ 3.6Å; V141-W291 HydrophobicContact CB-CH2 4.17Å; V141-W291 HydrophobicContact CG1-CH2 4.15Å; V141-W291 HydrophobicContact CG2-CH2 4.31Å; V141-W291 HydrophobicContact CG2-CZ2 4.42Å; V141-Y295 HydrophobicContact CG1-CD2 4.27Å; V141-Y295 HydrophobicContact CG1-CE2 3.91Å |
| 142 | A | 97 | Very high | 94.3 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -58.9 | -44.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | I138 E139 H145 S146 Y295 A298 K299 Y302 | I138-A142 VanDerWaalsContact O-CB 3.26Å; I138-A142 WeakPolarHBondContact O-CB 3.43Å; I138-A142 PolarHBondContact O-N 2.71Å; E139-A142 PolarHBondContact O-N 3.32Å; A142-H145 PolarHBondContact O-N 3.48Å; A142-S146 WeakPolarHBondContact O-CB 3.03Å; A142-S146 PolarHBondContact O-N 3.13Å; A142-S146 VanDerWaalsContact O-N 3.12Å; A142-S146 PolarHBondContact O-OG 3.48Å; A142-Y295 HydrophobicContact CB-CD2 3.9Å; A142-Y295 HydrophobicContact CB-CE2 3.99Å; A142-A298 HydrophobicContact CB-CB 3.57Å; A142-K299 HydrophobicContact CB-CB 4.21Å; A142-Y302 HydrophobicContact CB-CD2 4.14Å; A142-Y302 HydrophobicContact CB-CE2 4.49Å |
| 143 | R | 94.9 | Very high | 93.8 | Very high | 16 Ų | 16 | 19.2 Ų | 19.2 | 6% | 0.06 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -61.4 | -50.8 | 176.5 | -176.2 | -179 | 168.7 | -82.7 | 0.9 | 111.5 | G100 E139 Q140 V141 H145 S146 L147 Y302 F306 I325 | G100-R143 PolarHBondContact O-NH2 3.44Å; E139-R143 VanDerWaalsContact O-CB 3.32Å; E139-R143 WeakPolarHBondContact O-CB 3.47Å; E139-R143 PolarHBondContact O-N 2.79Å; Q140-R143 PolarHBondContact O-N 2.81Å; V141-R143 VanDerWaalsContact C-N 3.34Å; V141-R143 PolarHBondContact O-N 3.43Å; R143-H145 VanDerWaalsContact C-N 3.32Å; R143-H145 PolarHBondContact O-N 3.07Å; R143-S146 PolarHBondContact O-N 3.35Å; R143-S146 VanDerWaalsContact O-N 3.09Å; R143-L147 PolarHBondContact O-N 3.18Å; R143-Y302 HydrophobicContact CB-CD1 4.11Å; R143-Y302 HydrophobicContact CB-CD2 3.88Å; R143-Y302 HydrophobicContact CB-CE1 4.04Å; R143-Y302 HydrophobicContact CB-CE2 3.83Å; R143-Y302 HydrophobicContact CB-CG 4.05Å; R143-Y302 HydrophobicContact CG-CD1 3.97Å; R143-Y302 HydrophobicContact CG-CE1 3.96Å; R143-Y302 HydrophobicContact CG-CG 4.34Å; R143-F306 HydrophobicContact CG-CE2 4.17Å; R143-F306 HydrophobicContact CG-CZ 4Å; R143-I325 PolarHBondContact NE-O 2.87Å; R143-I325 PolarHBondContact NH2-O 3.34Å |
| 144 | L | 96 | Very high | 93.1 | Very high | 8 Ų | 8 | 22.6 Ų | 22.6 | 4% | 0.042 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -54.5 | -49 | 177.7 | 174.9 | 64.4 | 0 | 0 | 0 | 111.1 | L96 Q140 V141 S146 L147 L228 H230 F249 F252 | L96-L144 HydrophobicContact CD2-CD1 3.71Å; Q140-L144 WeakPolarHBondContact O-CB 3.28Å; Q140-L144 PolarHBondContact O-N 2.97Å; V141-L144 PolarHBondContact O-N 2.75Å; L144-S146 PolarHBondContact O-N 3.45Å; L144-L147 HydrophobicContact CD1-CD1 3.98Å; L144-L147 WeakPolarHBondContact O-CG 3.38Å; L144-L147 PolarHBondContact O-N 3.36Å; L144-L228 HydrophobicContact CD1-CD2 4.35Å; L144-H230 HydrophobicContact CD2-CB 3.99Å; L144-F249 HydrophobicContact CD2-CD2 4.12Å; L144-F249 HydrophobicContact CD2-CE2 4.39Å; L144-F252 HydrophobicContact CD1-CE1 4.47Å; L144-F252 HydrophobicContact CD2-CE1 4.47Å |
| 145 | H | 97 | Very high | 92.5 | Very high | 6 Ų | 6 | 29.7 Ų | 29.7 | 3% | 0.028 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -66.7 | -17.7 | -179.1 | -70.5 | -177.5 | 0 | 0 | 0 | 113.9 | V141 A142 R143 V227 L228 C229 D263 Y295 | V141-H145 VanDerWaalsContact CG1-CE1 3.41Å; V141-H145 WeakPolarHBondContact CG1-CE1 3.3Å; V141-H145 WeakPolarHBondContact O-CB 3.46Å; V141-H145 VanDerWaalsContact O-CG 3.24Å; V141-H145 PolarHBondContact O-N 3.18Å; A142-H145 PolarHBondContact O-N 3.48Å; R143-H145 VanDerWaalsContact C-N 3.32Å; R143-H145 PolarHBondContact O-N 3.07Å; H145-V227 HydrophobicContact CB-CB 4.22Å; H145-V227 HydrophobicContact CB-CG1 4.46Å; H145-V227 HydrophobicContact CB-CG2 3.77Å; H145-V227 WeakPolarHBondContact O-CB 3.34Å; H145-V227 WeakPolarHBondContact O-CG1 3.4Å; H145-L228 PolarHBondContact CD2-O 3.46Å; H145-L228 VanDerWaalsContact CD2-O 3.28Å; H145-C229 PolarHBondContact NE2-SG 2.94Å; H145-D263 IonicContact CE1-OD2 3.17Å; H145-D263 IonicContact NE2-OD2 2.91Å; H145-D263 PolarHBondContact NE2-OD2 3.42Å; H145-Y295 AromaticContact ND1-CE2 3.67Å; H145-Y295 AromaticContact ND1-CZ 3.58Å; H145-Y295 PolarHBondContact ND1-OH 3.01Å |
| 146 | S | 95.2 | Very high | 91.9 | Very high | 10 Ų | 10 | 28.9 Ų | 28.9 | 7% | 0.07 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -100.2 | -4.1 | -177.3 | -53.2 | 0 | 0 | 0 | 0 | 113.4 | A142 R143 L144 K299 F306 | A142-S146 WeakPolarHBondContact O-CB 3.03Å; A142-S146 PolarHBondContact O-N 3.13Å; A142-S146 VanDerWaalsContact O-N 3.12Å; A142-S146 PolarHBondContact O-OG 3.48Å; R143-S146 PolarHBondContact O-N 3.35Å; R143-S146 VanDerWaalsContact O-N 3.09Å; L144-S146 PolarHBondContact O-N 3.45Å; S146-K299 PolarHBondContact OG-O 3.13Å; S146-F306 WeakPolarHBondContact O-CD2 3.36Å |
| 147 | L | 93.2 | Very high | 91.2 | Very high | 13 Ų | 13 | 28.5 Ų | 28.5 | 7% | 0.068 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -59 | 141.4 | 179 | -68 | 176.7 | 0 | 0 | 0 | 111.1 | L96 L99 R143 L144 T149 F306 | L96-L147 HydrophobicContact CD2-CD1 3.76Å; L99-L147 HydrophobicContact CB-CD1 4.27Å; L99-L147 HydrophobicContact CB-CD2 4.27Å; L99-L147 HydrophobicContact CD1-CB 4.19Å; L99-L147 HydrophobicContact CD1-CD1 4.17Å; R143-L147 PolarHBondContact O-N 3.18Å; L144-L147 HydrophobicContact CD1-CD1 3.98Å; L144-L147 WeakPolarHBondContact O-CG 3.38Å; L144-L147 PolarHBondContact O-N 3.36Å; L147-T149 WeakPolarHBondContact CB-OG1 3.4Å; L147-T149 PolarHBondContact O-N 3.15Å; L147-T149 PolarHBondContact O-OG1 3.43Å; L147-T149 VanDerWaalsContact O-OG1 3.1Å; L147-F306 HydrophobicContact CD2-CE1 4.12Å; L147-F306 HydrophobicContact CD2-CE2 4Å; L147-F306 HydrophobicContact CD2-CZ 3.6Å |
| 148 | P | 90.9 | Very high | 90.1 | Very high | 13 Ų | 13 | 32.2 Ų | 32.2 | 8% | 0.084 | 15% | 0.154 | C | C | . | . | trans | -73.6 | 60.5 | 175.7 | 32.3 | -36.1 | 0 | 0 | 0 | 111.3 | L99 E151 T152 V322 | L99-P148 HydrophobicContact CD2-CG 3.86Å; P148-E151 WeakPolarHBondContact CA-OE2 3.28Å; P148-T152 VanDerWaalsContact O-CB 3.28Å; P148-T152 WeakPolarHBondContact O-CB 3.49Å; P148-T152 PolarHBondContact O-N 2.89Å; P148-T152 VanDerWaalsContact O-N 3.11Å; P148-T152 PolarHBondContact O-OG1 2.98Å; P148-V322 HydrophobicContact CG-CG1 4.12Å; P148-V322 HydrophobicContact CG-CG2 4.38Å | ||
| 149 | T | 90.7 | Very high | 88.8 | Confident | 5 Ų | 5 | 36 Ų | 36 | 3% | 0.031 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -72.9 | -42.9 | -165.4 | -55.5 | 0 | 0 | 0 | 0 | 110.7 | L95 L147 T152 M153 L228 F257 | L95-T149 HydrophobicContact CD2-CG2 3.55Å; L95-T149 HydrophobicContact CG-CG2 4.3Å; L147-T149 WeakPolarHBondContact CB-OG1 3.4Å; L147-T149 PolarHBondContact O-N 3.15Å; L147-T149 PolarHBondContact O-OG1 3.43Å; L147-T149 VanDerWaalsContact O-OG1 3.1Å; T149-T152 PolarHBondContact O-N 3.35Å; T149-M153 HydrophobicContact CG2-CG 4.44Å; T149-M153 HydrophobicContact CG2-SD 4.09Å; T149-M153 WeakPolarHBondContact O-CB 3.17Å; T149-M153 WeakPolarHBondContact O-CG 3.44Å; T149-M153 PolarHBondContact O-N 3.12Å; T149-L228 HydrophobicContact CG2-CB 3.91Å; T149-L228 HydrophobicContact CG2-CD1 4.24Å; T149-L228 HydrophobicContact CG2-CD2 3.77Å; T149-L228 HydrophobicContact CG2-CG 4.18Å; T149-F257 HydrophobicContact CG2-CE1 4.49Å; T149-F257 HydrophobicContact CG2-CE2 4.11Å; T149-F257 HydrophobicContact CG2-CZ 3.61Å |
| 150 | R | 87.4 | Confident | 87.3 | Confident | 88 Ų | 88 | 37.9 Ų | 37.9 | 33% | 0.332 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -63.4 | -51.9 | -177 | -66.9 | -172 | 166.7 | 85.9 | 2.5 | 109.8 | T152 M153 L154 T169 V226 F257 | R150-T152 VanDerWaalsContact C-N 3.3Å; R150-T152 PolarHBondContact O-N 3.19Å; R150-M153 PolarHBondContact O-N 2.95Å; R150-L154 VanDerWaalsContact O-CG 3.28Å; R150-L154 WeakPolarHBondContact O-CG 3.45Å; R150-L154 PolarHBondContact O-N 3.26Å; R150-T169 HydrophobicContact CG-CG2 3.81Å; R150-V226 PolarHBondContact NH1-O 2.92Å; R150-V226 PolarHBondContact NH2-O 3.28Å; R150-F257 HydrophobicContact CG-CE1 3.74Å; R150-F257 HydrophobicContact CG-CZ 3.89Å |
| 151 | E | 84.6 | Confident | 85.4 | Confident | 112 Ų | 112 | 39.9 Ų | 39.9 | 52% | 0.523 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -57.6 | -44.9 | 179 | -60 | 72.8 | -158.7 | 0 | 0 | 110.7 | P148 L154 R155 | P148-E151 WeakPolarHBondContact CA-OE2 3.28Å; E151-L154 PolarHBondContact O-N 3.28Å; E151-R155 PolarHBondContact O-N 2.9Å; E151-R155 VanDerWaalsContact O-N 3.11Å |
| 152 | T | 86.3 | Confident | 83.3 | Confident | 11 Ų | 11 | 47.1 Ų | 47.1 | 7% | 0.067 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -68.3 | -39.9 | 179.2 | -60 | 0 | 0 | 0 | 0 | 112.2 | L95 L99 P148 T149 R150 R155 L156 | L95-T152 HydrophobicContact CD1-CG2 3.53Å; L99-T152 HydrophobicContact CD2-CG2 4.13Å; L99-T152 WeakPolarHBondContact CD2-OG1 3.4Å; L99-T152 HydrophobicContact CG-CG2 4.15Å; P148-T152 VanDerWaalsContact O-CB 3.28Å; P148-T152 WeakPolarHBondContact O-CB 3.49Å; P148-T152 PolarHBondContact O-N 2.89Å; P148-T152 VanDerWaalsContact O-N 3.11Å; P148-T152 PolarHBondContact O-OG1 2.98Å; T149-T152 PolarHBondContact O-N 3.35Å; R150-T152 VanDerWaalsContact C-N 3.3Å; R150-T152 PolarHBondContact O-N 3.19Å; T152-R155 WeakPolarHBondContact O-CB 3.29Å; T152-R155 PolarHBondContact O-N 2.86Å; T152-L156 HydrophobicContact CG2-CD1 3.68Å; T152-L156 HydrophobicContact CG2-CG 4.09Å; T152-L156 WeakPolarHBondContact O-CB 3.49Å; T152-L156 VanDerWaalsContact O-CG 3.29Å; T152-L156 WeakPolarHBondContact O-CG 3.38Å; T152-L156 PolarHBondContact O-N 3.44Å |
| 153 | M | 85.4 | Confident | 81.3 | Confident | 26 Ų | 26 | 49.5 Ų | 49.5 | 13% | 0.128 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.7 | -43.1 | 173.5 | -81.3 | 178.6 | 25.4 | 0 | 0 | 112.6 | L95 T149 R150 R155 L156 F157 T169 F257 | L95-M153 HydrophobicContact CD1-CG 3.81Å; L95-M153 HydrophobicContact CD2-CG 3.41Å; L95-M153 VanDerWaalsContact CD2-CG 3.41Å; L95-M153 HydrophobicContact CD2-SD 3.66Å; L95-M153 HydrophobicContact CG-CG 4.23Å; T149-M153 HydrophobicContact CG2-CG 4.44Å; T149-M153 HydrophobicContact CG2-SD 4.09Å; T149-M153 WeakPolarHBondContact O-CB 3.17Å; T149-M153 WeakPolarHBondContact O-CG 3.44Å; T149-M153 PolarHBondContact O-N 3.12Å; R150-M153 PolarHBondContact O-N 2.95Å; M153-R155 PolarHBondContact O-N 3.38Å; M153-L156 PolarHBondContact O-N 3Å; M153-F157 HydrophobicContact CB-CD2 4.22Å; M153-F157 HydrophobicContact CG-CD2 4.17Å; M153-F157 HydrophobicContact CG-CE2 4.28Å; M153-F157 WeakPolarHBondContact O-CA 3.38Å; M153-F157 WeakPolarHBondContact O-CB 3.32Å; M153-F157 PolarHBondContact O-N 3.01Å; M153-T169 HydrophobicContact CE-CG2 4.37Å; M153-F257 HydrophobicContact CE-CE2 3.87Å; M153-F257 HydrophobicContact CE-CZ 4.43Å; M153-F257 HydrophobicContact SD-CE2 3.52Å; M153-F257 VanDerWaalsContact SD-CE2 3.52Å; M153-F257 HydrophobicContact SD-CZ 4.03Å |
| 154 | L | 82.5 | Confident | 79.3 | Confident | 88 Ų | 88 | 53.6 Ų | 53.6 | 46% | 0.461 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -59 | -37.6 | 176.4 | -66 | 175.7 | 0 | 0 | 0 | 111.2 | R150 E151 V161 | R150-L154 VanDerWaalsContact O-CG 3.28Å; R150-L154 WeakPolarHBondContact O-CG 3.45Å; R150-L154 PolarHBondContact O-N 3.26Å; E151-L154 PolarHBondContact O-N 3.28Å; L154-V161 HydrophobicContact CB-CG2 4.48Å; L154-V161 HydrophobicContact CD2-CB 4.07Å; L154-V161 HydrophobicContact CD2-CG1 3.58Å; L154-V161 HydrophobicContact CD2-CG2 3.3Å; L154-V161 HydrophobicContact CG-CG2 4.47Å |
| 155 | R | 83.9 | Confident | 77.2 | Confident | 150 Ų | 150 | 57.1 Ų | 57.1 | 57% | 0.566 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -71.1 | -44.7 | 176.9 | 179.4 | 175.7 | 61.5 | 82.6 | -5.1 | 112.9 | E151 T152 M153 | E151-R155 PolarHBondContact O-N 2.9Å; E151-R155 VanDerWaalsContact O-N 3.11Å; T152-R155 WeakPolarHBondContact O-CB 3.29Å; T152-R155 PolarHBondContact O-N 2.86Å; M153-R155 PolarHBondContact O-N 3.38Å |
| 156 | L | 83.8 | Confident | 75.1 | Confident | 22 Ų | 22 | 62.5 Ų | 62.5 | 12% | 0.115 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -79.4 | -29.1 | -175.7 | -65.9 | 178.2 | 0 | 0 | 0 | 112.8 | Y94 L95 E98 T152 M153 P158 | Y94-L156 HydrophobicContact CD1-CD1 4.17Å; Y94-L156 HydrophobicContact CE1-CD1 3.88Å; Y94-L156 HydrophobicContact CE1-CD2 4.07Å; Y94-L156 HydrophobicContact CE1-CG 4.41Å; L95-L156 HydrophobicContact CD1-CD1 4.12Å; E98-L156 HydrophobicContact CB-CD1 4.07Å; E98-L156 HydrophobicContact CG-CD1 3.91Å; E98-L156 HydrophobicContact CG-CD2 4.47Å; T152-L156 HydrophobicContact CG2-CD1 3.68Å; T152-L156 HydrophobicContact CG2-CG 4.09Å; T152-L156 WeakPolarHBondContact O-CB 3.49Å; T152-L156 VanDerWaalsContact O-CG 3.29Å; T152-L156 WeakPolarHBondContact O-CG 3.38Å; T152-L156 PolarHBondContact O-N 3.44Å; M153-L156 PolarHBondContact O-N 3Å; L156-P158 VanDerWaalsContact C-CD 3.48Å |
| 157 | F | 81.7 | Confident | 73 | Confident | 8 Ų | 8 | 65.9 Ų | 65.9 | 4% | 0.035 | 35% | 0.35 | C | S | . | . | trans | -130.1 | 57.9 | -172 | -47.3 | -61.9 | 0 | 0 | 0 | 112.3 | F6 K91 Y94 M153 S159 E160 | F6-F157 AromaticContact CD1-CD1 3.34Å; F6-F157 HydrophobicContact CD1-CD1 3.34Å; F6-F157 AromaticContact CD1-CE1 3.57Å; F6-F157 HydrophobicContact CD1-CE1 3.57Å; F6-F157 AromaticContact CE1-CD1 3.49Å; F6-F157 HydrophobicContact CE1-CD1 3.49Å; F6-F157 VanDerWaalsContact CE1-CD1 3.49Å; F6-F157 AromaticContact CE1-CE1 3.72Å; F6-F157 HydrophobicContact CE1-CE1 3.72Å; F6-F157 HydrophobicContact CG-CD1 4.26Å; K91-F157 HydrophobicContact CB-CZ 4.23Å; K91-F157 HydrophobicContact CG-CE1 4.38Å; K91-F157 HydrophobicContact CG-CZ 4.17Å; Y94-F157 HydrophobicContact CD1-CE1 4.47Å; Y94-F157 HydrophobicContact CD1-CZ 4.08Å; M153-F157 HydrophobicContact CB-CD2 4.22Å; M153-F157 HydrophobicContact CG-CD2 4.17Å; M153-F157 HydrophobicContact CG-CE2 4.28Å; M153-F157 WeakPolarHBondContact O-CA 3.38Å; M153-F157 WeakPolarHBondContact O-CB 3.32Å; M153-F157 PolarHBondContact O-N 3.01Å; F157-S159 VanDerWaalsContact C-N 3.27Å; F157-S159 PolarHBondContact O-N 2.78Å; F157-E160 PolarHBondContact O-N 3.07Å | ||
| 158 | P | 74 | Confident | 71.7 | Confident | 79 Ų | 79 | 69.7 Ų | 69.7 | 51% | 0.513 | 36% | 0.364 | S | S | . | . | G | 310 helix | trans | -63.5 | -27.9 | -171.2 | 25.7 | -35.6 | 0 | 0 | 0 | 114.1 | L156 E160 V161 | L156-P158 VanDerWaalsContact C-CD 3.48Å; P158-E160 VanDerWaalsContact C-N 3.26Å; P158-E160 PolarHBondContact O-N 3.38Å; P158-V161 WeakPolarHBondContact O-CG2 3.48Å; P158-V161 PolarHBondContact O-N 3.37Å |
| 159 | S | 71 | Confident | 71.2 | Confident | 80 Ų | 80 | 70.1 Ų | 70.1 | 56% | 0.559 | 37% | 0.367 | S | S | * | . | G | 310 helix | trans | -69.9 | -18.5 | -179.8 | 52.8 | 0 | 0 | 0 | 0 | 114.1 | F157 | F157-S159 VanDerWaalsContact C-N 3.27Å; F157-S159 PolarHBondContact O-N 2.78Å |
| 160 | E | 64.3 | Low | 71.1 | Confident | 43 Ų | 43 | 75.8 Ų | 75.8 | 20% | 0.201 | 39% | 0.391 | C | S | . | . | G | 310 helix | trans | -87.7 | -9.9 | -179.8 | -59.4 | -165.3 | 163.3 | 0 | 0 | 112.8 | K91 F157 P158 Y168 | K91-E160 WeakPolarHBondContact CE-OE1 3.44Å; K91-E160 IonicContact NZ-OE1 3.58Å; K91-E160 PolarHBondContact NZ-OE1 2.68Å; K91-E160 IonicContact NZ-OE2 2.9Å; K91-E160 PolarHBondContact NZ-OE2 2.78Å; F157-E160 PolarHBondContact O-N 3.07Å; P158-E160 VanDerWaalsContact C-N 3.26Å; P158-E160 PolarHBondContact O-N 3.38Å; E160-Y168 HydrophobicContact CB-CD2 4.37Å; E160-Y168 HydrophobicContact CB-CE2 4.13Å; E160-Y168 HydrophobicContact CG-CE2 4.35Å; E160-Y168 WeakPolarHBondContact OE2-CD2 3.43Å; E160-Y168 WeakPolarHBondContact OE2-CE2 3.44Å |
| 161 | V | 56.6 | Low | 71.4 | Confident | 59 Ų | 59 | 73.5 Ų | 73.5 | 36% | 0.358 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -31.3 | -175.7 | -172 | 0 | 0 | 0 | 0 | 112.7 | L154 P158 D163 | L154-V161 HydrophobicContact CB-CG2 4.48Å; L154-V161 HydrophobicContact CD2-CB 4.07Å; L154-V161 HydrophobicContact CD2-CG1 3.58Å; L154-V161 HydrophobicContact CD2-CG2 3.3Å; L154-V161 HydrophobicContact CG-CG2 4.47Å; P158-V161 WeakPolarHBondContact O-CG2 3.48Å; P158-V161 PolarHBondContact O-N 3.37Å; V161-D163 PolarHBondContact O-N 2.92Å |
| 162 | N | 52.3 | Low | 71.9 | Confident | 153 Ų | 153 | 70.4 Ų | 70.4 | 82% | 0.818 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -2.7 | -176.2 | -70.7 | -21.5 | 0 | 0 | 0 | 113.9 | ||
| 163 | D | 56.2 | Low | 72.4 | Confident | 50 Ų | 50 | 70 Ų | 70 | 27% | 0.267 | 37% | 0.373 | S | S | . | . | trans | -120.4 | 92.6 | 175.2 | -170.4 | -10.2 | 0 | 0 | 0 | 109.5 | V161 S165 K166 L167 | V161-D163 PolarHBondContact O-N 2.92Å; D163-S165 VanDerWaalsContact CG-OG 3.27Å; D163-S165 PolarHBondContact O-N 3.37Å; D163-S165 WeakPolarHBondContact OD1-CA 3.35Å; D163-S165 WeakPolarHBondContact OD1-CB 3.44Å; D163-S165 PolarHBondContact OD1-N 3.44Å; D163-S165 PolarHBondContact OD1-OG 2.64Å; D163-S165 PolarHBondContact OD2-OG 3.16Å; D163-K166 HydrophobicContact CB-CB 4.06Å; D163-K166 HydrophobicContact CB-CD 3.96Å; D163-K166 HydrophobicContact CB-CG 4.1Å; D163-K166 WeakPolarHBondContact O-CA 3.41Å; D163-K166 WeakPolarHBondContact O-CB 3.41Å; D163-K166 PolarHBondContact O-N 2.92Å; D163-K166 WeakPolarHBondContact OD2-CD 3.26Å; D163-K166 WeakPolarHBondContact OD2-CE 3.35Å; D163-K166 VanDerWaalsContact OD2-CG 3.28Å; D163-K166 WeakPolarHBondContact OD2-CG 3.32Å; D163-K166 IonicContact OD2-NZ 3.94Å; D163-L167 PolarHBondContact O-N 3.38Å | ||
| 164 | S | 51.6 | Low | 73 | Confident | 102 Ų | 102 | 69.9 Ų | 69.9 | 71% | 0.713 | 37% | 0.372 | S | S | * | . | G | 310 helix | trans | -57.3 | -20.1 | 175.3 | 57.2 | 0 | 0 | 0 | 0 | 113 | K166 | S164-K166 VanDerWaalsContact C-N 3.31Š|
| 165 | S | 52.7 | Low | 73.5 | Confident | 82 Ų | 82 | 69.6 Ų | 69.6 | 57% | 0.573 | 38% | 0.376 | S | S | * | . | G | 310 helix | trans | -72.2 | -26.3 | 173.2 | 83.8 | 0 | 0 | 0 | 0 | 112.5 | D163 | D163-S165 VanDerWaalsContact CG-OG 3.27Å; D163-S165 PolarHBondContact O-N 3.37Å; D163-S165 WeakPolarHBondContact OD1-CA 3.35Å; D163-S165 WeakPolarHBondContact OD1-CB 3.44Å; D163-S165 PolarHBondContact OD1-N 3.44Å; D163-S165 PolarHBondContact OD1-OG 2.64Å; D163-S165 PolarHBondContact OD2-OG 3.16Å |
| 166 | K | 52.4 | Low | 74.1 | Confident | 119 Ų | 119 | 64 Ų | 64 | 52% | 0.517 | 36% | 0.358 | S | S | . | . | G | 310 helix | trans | -95.5 | 11.7 | 177.2 | -69.4 | 179.3 | -173.3 | 164 | 0 | 114.2 | D163 S164 Y168 | D163-K166 HydrophobicContact CB-CB 4.06Å; D163-K166 HydrophobicContact CB-CD 3.96Å; D163-K166 HydrophobicContact CB-CG 4.1Å; D163-K166 WeakPolarHBondContact O-CA 3.41Å; D163-K166 WeakPolarHBondContact O-CB 3.41Å; D163-K166 PolarHBondContact O-N 2.92Å; D163-K166 WeakPolarHBondContact OD2-CD 3.26Å; D163-K166 WeakPolarHBondContact OD2-CE 3.35Å; D163-K166 VanDerWaalsContact OD2-CG 3.28Å; D163-K166 WeakPolarHBondContact OD2-CG 3.32Å; D163-K166 IonicContact OD2-NZ 3.94Å; S164-K166 VanDerWaalsContact C-N 3.31Å; K166-Y168 HydrophobicContact CB-CE2 4.5Å; K166-Y168 WeakPolarHBondContact O-CD2 3.34Å; K166-Y168 PolarHBondContact O-N 2.94Å |
| 167 | L | 51.9 | Low | 74.8 | Confident | 80 Ų | 80 | 62.9 Ų | 62.9 | 42% | 0.419 | 35% | 0.353 | S | S | . | . | trans | -51.4 | 101.1 | 178.7 | -157.1 | 83.7 | 0 | 0 | 0 | 109.2 | D163 T169 K170 | D163-L167 PolarHBondContact O-N 3.38Å; L167-T169 WeakPolarHBondContact CD2-OG1 3.32Å; L167-T169 WeakPolarHBondContact CG-OG1 3.41Å; L167-T169 PolarHBondContact O-N 3.48Å; L167-K170 PolarHBondContact O-N 2.74Å | ||
| 168 | Y | 66 | Low | 75.5 | Confident | 93 Ų | 93 | 66.3 Ų | 66.3 | 37% | 0.365 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | 8.4 | -172.9 | -84 | -88.9 | 0 | 0 | 0 | 112.8 | E160 K166 F257 | E160-Y168 HydrophobicContact CB-CD2 4.37Å; E160-Y168 HydrophobicContact CB-CE2 4.13Å; E160-Y168 HydrophobicContact CG-CE2 4.35Å; E160-Y168 WeakPolarHBondContact OE2-CD2 3.43Å; E160-Y168 WeakPolarHBondContact OE2-CE2 3.44Å; K166-Y168 HydrophobicContact CB-CE2 4.5Å; K166-Y168 WeakPolarHBondContact O-CD2 3.34Å; K166-Y168 PolarHBondContact O-N 2.94Å; Y168-F257 WeakPolarHBondContact O-CD2 3.18Å |
| 169 | T | 80 | Confident | 76.6 | Confident | 22 Ų | 22 | 67.4 Ų | 67.4 | 14% | 0.135 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.5 | 7 | -177.7 | 72.6 | 0 | 0 | 0 | 0 | 113.4 | R150 M153 L167 V226 F257 | R150-T169 HydrophobicContact CG-CG2 3.81Å; M153-T169 HydrophobicContact CE-CG2 4.37Å; L167-T169 WeakPolarHBondContact CD2-OG1 3.32Å; L167-T169 WeakPolarHBondContact CG-OG1 3.41Å; L167-T169 PolarHBondContact O-N 3.48Å; T169-V226 WeakPolarHBondContact O-CG1 3.4Å; T169-F257 VanDerWaalsContact CA-CG 3.48Å; T169-F257 HydrophobicContact CG2-CD1 4.43Å; T169-F257 HydrophobicContact CG2-CD2 4.42Å; T169-F257 HydrophobicContact CG2-CE1 4.08Å; T169-F257 HydrophobicContact CG2-CE2 4.07Å; T169-F257 HydrophobicContact CG2-CZ 3.88Å |
| 170 | K | 88.7 | Confident | 77.8 | Confident | 124 Ų | 124 | 63.8 Ų | 63.8 | 54% | 0.539 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -76.6 | 146.3 | 172.5 | -71.6 | -177.8 | -179.2 | 171.8 | 0 | 110.3 | L167 V172 | L167-K170 PolarHBondContact O-N 2.74Å; K170-V172 PolarHBondContact O-N 3.47Å |
| 171 | P | 93.9 | Very high | 79.4 | Confident | 41 Ų | 41 | 61.8 Ų | 61.8 | 27% | 0.266 | 33% | 0.327 | S | S | . | . | trans | -53.9 | 124.2 | 173.9 | -27.8 | 36.2 | 0 | 0 | 0 | 112.8 | V226 F257 H259 | P171-V226 HydrophobicContact CG-CB 4.49Å; P171-V226 HydrophobicContact CG-CG1 3.99Å; P171-V226 HydrophobicContact CG-CG2 3.62Å; P171-F257 CarbonylContact C-O 3.56Å; P171-F257 VanDerWaalsContact CA-O 3.23Å; P171-F257 WeakPolarHBondContact CA-O 3.3Å; P171-H259 WeakPolarHBondContact CG-NE2 3.38Å | ||
| 172 | V | 94.1 | Very high | 81.3 | Confident | 47 Ų | 47 | 64.4 Ų | 64.4 | 29% | 0.285 | 34% | 0.335 | S | S | . | . | trans | -81.9 | -17.9 | -178.3 | -61.3 | 0 | 0 | 0 | 0 | 113.5 | K170 T176 F257 | K170-V172 PolarHBondContact O-N 3.47Å; V172-T176 WeakPolarHBondContact O-CB 3.11Å; V172-T176 PolarHBondContact O-N 3.47Å; V172-T176 PolarHBondContact O-OG1 2.77Å; V172-F257 PolarHBondContact N-O 2.92Å | ||
| 173 | L | 97 | Very high | 83.3 | Confident | 1 Ų | 1 | 59.4 Ų | 59.4 | 1% | 0.005 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -50.6 | -71.5 | -170 | -179.6 | 59 | 0 | 0 | 0 | 113.8 | T176 I177 F262 F360 F367 | L173-T176 WeakPolarHBondContact O-CB 3.06Å; L173-T176 PolarHBondContact O-N 3.01Å; L173-I177 HydrophobicContact CD1-CD1 3.81Å; L173-I177 HydrophobicContact CD1-CG1 4.4Å; L173-I177 HydrophobicContact CG-CD1 4.17Å; L173-I177 WeakPolarHBondContact O-CG1 3.46Å; L173-I177 PolarHBondContact O-N 2.97Å; L173-F262 HydrophobicContact CD1-CD2 3.9Å; L173-F262 HydrophobicContact CD1-CE1 4.48Å; L173-F262 HydrophobicContact CD1-CE2 3.36Å; L173-F262 HydrophobicContact CD1-CZ 3.7Å; L173-F262 HydrophobicContact CD2-CD2 3.67Å; L173-F262 HydrophobicContact CD2-CE2 3.99Å; L173-F262 HydrophobicContact CD2-CG 4.38Å; L173-F262 HydrophobicContact CG-CD2 4.4Å; L173-F262 HydrophobicContact CG-CE2 4.3Å; L173-F360 HydrophobicContact CD2-CD1 3.87Å; L173-F360 HydrophobicContact CD2-CE1 3.9Å; L173-F367 HydrophobicContact CD1-CB 4.44Å; L173-F367 HydrophobicContact CD1-CD2 3.68Å; L173-F367 HydrophobicContact CD1-CE2 4.29Å; L173-F367 HydrophobicContact CD1-CG 4.35Å |
| 174 | F | 97.5 | Very high | 85.2 | Confident | 24 Ų | 24 | 58.4 Ų | 58.4 | 11% | 0.105 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -67.5 | -40.3 | -173.6 | -60.8 | -61.9 | 0 | 0 | 0 | 114 | T176 I177 R178 V212 L215 E216 L219 | F174-T176 PolarHBondContact O-N 2.98Å; F174-I177 HydrophobicContact CD1-CD1 4.32Å; F174-I177 PolarHBondContact O-N 3.1Å; F174-R178 WeakPolarHBondContact O-CB 3.23Å; F174-R178 WeakPolarHBondContact O-CG 3.44Å; F174-R178 PolarHBondContact O-N 2.71Å; F174-V212 HydrophobicContact CB-CG1 4.49Å; F174-V212 HydrophobicContact CD1-CG1 3.99Å; F174-L215 HydrophobicContact CE1-CB 3.68Å; F174-L215 HydrophobicContact CE1-CD1 4.42Å; F174-L215 HydrophobicContact CZ-CB 3.98Å; F174-E216 HydrophobicContact CB-CG 3.96Å; F174-E216 WeakPolarHBondContact CB-OE1 3.31Å; F174-E216 HydrophobicContact CD1-CG 3.76Å; F174-E216 HydrophobicContact CD2-CG 3.52Å; F174-E216 HydrophobicContact CE1-CG 4.07Å; F174-E216 HydrophobicContact CE2-CG 3.84Å; F174-E216 HydrophobicContact CG-CG 3.46Å; F174-E216 VanDerWaalsContact CG-CG 3.46Å; F174-E216 HydrophobicContact CZ-CG 4.09Å; F174-L219 HydrophobicContact CE2-CD1 4.49Å; F174-L219 HydrophobicContact CZ-CB 4.5Å; F174-L219 HydrophobicContact CZ-CD1 3.82Å |
| 175 | P | 95 | Very high | 87.2 | Confident | 82 Ų | 82 | 54.6 Ų | 54.6 | 53% | 0.532 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -55.1 | -40.1 | 170.7 | -26.9 | 35.4 | 0 | 0 | 0 | 112.7 | K179 | P175-K179 WeakPolarHBondContact O-CB 3.37Å; P175-K179 PolarHBondContact O-N 3.22Å |
| 176 | T | 95.7 | Very high | 89 | Confident | 32 Ų | 32 | 57.1 Ų | 57.1 | 20% | 0.196 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -67 | -50.3 | 178 | -60.6 | 0 | 0 | 0 | 0 | 111.3 | V172 L173 F174 R178 K179 W180 F367 | V172-T176 WeakPolarHBondContact O-CB 3.11Å; V172-T176 PolarHBondContact O-N 3.47Å; V172-T176 PolarHBondContact O-OG1 2.77Å; L173-T176 WeakPolarHBondContact O-CB 3.06Å; L173-T176 PolarHBondContact O-N 3.01Å; F174-T176 PolarHBondContact O-N 2.98Å; T176-R178 VanDerWaalsContact C-N 3.3Å; T176-R178 PolarHBondContact O-N 3.43Å; T176-K179 PolarHBondContact O-N 3Å; T176-W180 HydrophobicContact CG2-CD2 3.65Å; T176-W180 HydrophobicContact CG2-CE3 4.07Å; T176-W180 HydrophobicContact CG2-CG 4.23Å; T176-W180 HydrophobicContact CG2-CH2 3.89Å; T176-W180 HydrophobicContact CG2-CZ2 3.43Å; T176-W180 VanDerWaalsContact CG2-CZ2 3.43Å; T176-W180 HydrophobicContact CG2-CZ3 4.17Å; T176-W180 VanDerWaalsContact O-CB 3.31Å; T176-W180 WeakPolarHBondContact O-CB 3.38Å; T176-W180 VanDerWaalsContact O-CG 3.26Å; T176-W180 PolarHBondContact O-N 2.85Å; T176-F367 HydrophobicContact CG2-CE2 3.7Å; T176-F367 HydrophobicContact CG2-CZ 4.18Å |
| 177 | I | 97.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -57.2 | -45.1 | 178.1 | -61.3 | 171.2 | 0 | 0 | 0 | 110.6 | L173 F174 W180 I181 V212 L366 F367 | L173-I177 HydrophobicContact CD1-CD1 3.81Å; L173-I177 HydrophobicContact CD1-CG1 4.4Å; L173-I177 HydrophobicContact CG-CD1 4.17Å; L173-I177 WeakPolarHBondContact O-CG1 3.46Å; L173-I177 PolarHBondContact O-N 2.97Å; F174-I177 HydrophobicContact CD1-CD1 4.32Å; F174-I177 PolarHBondContact O-N 3.1Å; I177-W180 PolarHBondContact O-N 3.29Å; I177-I181 HydrophobicContact CG2-CD1 3.7Å; I177-I181 HydrophobicContact CG2-CG1 4.2Å; I177-I181 VanDerWaalsContact O-CG1 3.29Å; I177-I181 WeakPolarHBondContact O-CG1 3.43Å; I177-I181 PolarHBondContact O-N 3.32Å; I177-V212 HydrophobicContact CB-CG2 4.35Å; I177-V212 HydrophobicContact CG2-CG2 3.5Å; I177-V212 VanDerWaalsContact CG2-CG2 3.5Å; I177-L366 HydrophobicContact CG2-CD2 4.31Å; I177-L366 HydrophobicContact CG2-CG 4.28Å; I177-F367 HydrophobicContact CD1-CB 4.12Å; I177-F367 HydrophobicContact CD1-CD2 4.13Å; I177-F367 HydrophobicContact CG1-CB 4.19Å; I177-F367 HydrophobicContact CG1-CD2 3.59Å; I177-F367 HydrophobicContact CG1-CE2 4.49Å; I177-F367 HydrophobicContact CG1-CG 4.33Å |
| 178 | R | 98 | Very high | 92.5 | Very high | 80 Ų | 80 | 50.3 Ų | 50.3 | 30% | 0.302 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -60 | -50.4 | 177.7 | -71 | 179.7 | 173.8 | -70.9 | -0.8 | 111.5 | F174 T176 W180 I181 E182 L209 V212 E216 | F174-R178 WeakPolarHBondContact O-CB 3.23Å; F174-R178 WeakPolarHBondContact O-CG 3.44Å; F174-R178 PolarHBondContact O-N 2.71Å; T176-R178 VanDerWaalsContact C-N 3.3Å; T176-R178 PolarHBondContact O-N 3.43Å; R178-W180 PolarHBondContact O-N 3.32Å; R178-I181 PolarHBondContact O-N 3.28Å; R178-E182 WeakPolarHBondContact O-CG 3.23Å; R178-E182 PolarHBondContact O-N 3.27Å; R178-L209 HydrophobicContact CG-CD2 4.43Å; R178-V212 HydrophobicContact CG-CG1 3.97Å; R178-E216 IonicContact CZ-OE2 2.96Å; R178-E216 IonicContact NE-OE1 3Å; R178-E216 IonicContact NE-OE2 3.25Å; R178-E216 PolarHBondContact NE-OE2 2.87Å; R178-E216 IonicContact NH2-OE2 2.85Å; R178-E216 PolarHBondContact NH2-OE2 3.37Å |
| 179 | K | 96 | Very high | 93.5 | Very high | 102 Ų | 102 | 51.9 Ų | 51.9 | 44% | 0.443 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -57.5 | -37.1 | 176.2 | 177.8 | -173.3 | 172.9 | -168.6 | 0 | 112.2 | P175 T176 K183 | P175-K179 WeakPolarHBondContact O-CB 3.37Å; P175-K179 PolarHBondContact O-N 3.22Å; T176-K179 PolarHBondContact O-N 3Å; K179-K183 WeakPolarHBondContact O-CG 3.16Å |
| 180 | W | 96.9 | Very high | 93.6 | Very high | 4 Ų | 4 | 59.1 Ų | 59.1 | 2% | 0.015 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -74.6 | -39.7 | 179.5 | -76.7 | 2.8 | 0 | 0 | 0 | 112.6 | I83 T176 I177 R178 E182 K183 L184 Y254 F367 V370 W371 I374 | I83-W180 HydrophobicContact CG2-CD2 4.27Å; I83-W180 HydrophobicContact CG2-CH2 4.23Å; I83-W180 HydrophobicContact CG2-CZ2 3.37Å; I83-W180 PolarHBondContact O-NE1 3.21Å; I83-W180 VanDerWaalsContact O-NE1 3.15Å; T176-W180 HydrophobicContact CG2-CD2 3.65Å; T176-W180 HydrophobicContact CG2-CE3 4.07Å; T176-W180 HydrophobicContact CG2-CG 4.23Å; T176-W180 HydrophobicContact CG2-CH2 3.89Å; T176-W180 HydrophobicContact CG2-CZ2 3.43Å; T176-W180 VanDerWaalsContact CG2-CZ2 3.43Å; T176-W180 HydrophobicContact CG2-CZ3 4.17Å; T176-W180 VanDerWaalsContact O-CB 3.31Å; T176-W180 WeakPolarHBondContact O-CB 3.38Å; T176-W180 VanDerWaalsContact O-CG 3.26Å; T176-W180 PolarHBondContact O-N 2.85Å; I177-W180 PolarHBondContact O-N 3.29Å; R178-W180 PolarHBondContact O-N 3.32Å; W180-E182 PolarHBondContact O-N 3.4Å; W180-K183 CarbonylContact O-C 3.56Å; W180-K183 WeakPolarHBondContact O-CA 3.45Å; W180-K183 VanDerWaalsContact O-CB 3.29Å; W180-K183 WeakPolarHBondContact O-CB 3.49Å; W180-K183 PolarHBondContact O-N 3.05Å; W180-L184 PolarHBondContact O-N 3.28Å; W180-Y254 AromaticContact CH2-CD1 3.86Å; W180-Y254 HydrophobicContact CH2-CD1 3.86Å; W180-Y254 AromaticContact CH2-CE1 3.64Å; W180-Y254 HydrophobicContact CH2-CE1 3.64Å; W180-Y254 HydrophobicContact CZ2-CD1 4.06Å; W180-Y254 AromaticContact CZ2-CE1 3.74Å; W180-Y254 HydrophobicContact CZ2-CE1 3.74Å; W180-F367 HydrophobicContact CE3-CD2 4.46Å; W180-F367 HydrophobicContact CE3-CE2 4.31Å; W180-F367 HydrophobicContact CE3-CZ 4.4Å; W180-F367 HydrophobicContact CH2-CD1 4.23Å; W180-F367 AromaticContact CH2-CE1 3.41Å; W180-F367 HydrophobicContact CH2-CE1 3.41Å; W180-F367 VanDerWaalsContact CH2-CE1 3.41Å; W180-F367 AromaticContact CH2-CE2 3.8Å; W180-F367 HydrophobicContact CH2-CE2 3.8Å; W180-F367 AromaticContact CH2-CZ 3.16Å; W180-F367 HydrophobicContact CH2-CZ 3.16Å; W180-F367 HydrophobicContact CZ2-CZ 4.13Å; W180-F367 AromaticContact CZ3-CD1 3.72Å; W180-F367 HydrophobicContact CZ3-CD1 3.72Å; W180-F367 AromaticContact CZ3-CD2 3.92Å; W180-F367 HydrophobicContact CZ3-CD2 3.92Å; W180-F367 AromaticContact CZ3-CE1 3.38Å; W180-F367 HydrophobicContact CZ3-CE1 3.38Å; W180-F367 AromaticContact CZ3-CE2 3.6Å; W180-F367 HydrophobicContact CZ3-CE2 3.6Å; W180-F367 AromaticContact CZ3-CG 3.98Å; W180-F367 HydrophobicContact CZ3-CG 3.98Å; W180-F367 AromaticContact CZ3-CZ 3.32Å; W180-F367 HydrophobicContact CZ3-CZ 3.32Å; W180-V370 HydrophobicContact CB-CG1 3.77Å; W180-W371 HydrophobicContact CE3-CB 4.06Å; W180-W371 HydrophobicContact CH2-CB 4.35Å; W180-W371 AromaticContact CH2-CD1 3.84Å; W180-W371 HydrophobicContact CH2-CG 4.46Å; W180-W371 HydrophobicContact CZ3-CB 3.68Å; W180-W371 HydrophobicContact CZ3-CG 4.25Å; W180-I374 HydrophobicContact CB-CD1 3.51Å; W180-I374 HydrophobicContact CD2-CD1 4.47Å; W180-I374 HydrophobicContact CG-CD1 3.87Å; W180-I374 VanDerWaalsContact O-CD1 3.26Å; W180-I374 WeakPolarHBondContact O-CD1 3.31Å |
| 181 | I | 98 | Very high | 93.8 | Very high | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.005 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -58.2 | -36.5 | 173.4 | -73 | 166.2 | 0 | 0 | 0 | 111.3 | I177 R178 K183 L184 K205 L208 L209 V212 V370 | I177-I181 HydrophobicContact CG2-CD1 3.7Å; I177-I181 HydrophobicContact CG2-CG1 4.2Å; I177-I181 VanDerWaalsContact O-CG1 3.29Å; I177-I181 WeakPolarHBondContact O-CG1 3.43Å; I177-I181 PolarHBondContact O-N 3.32Å; R178-I181 PolarHBondContact O-N 3.28Å; I181-K183 PolarHBondContact O-N 2.98Å; I181-L184 HydrophobicContact CB-CD1 4.47Å; I181-L184 HydrophobicContact CG2-CD1 4.2Å; I181-L184 WeakPolarHBondContact O-CG 3.43Å; I181-L184 PolarHBondContact O-N 3.09Å; I181-K205 HydrophobicContact CG2-CB 4.26Å; I181-K205 HydrophobicContact CG2-CD 4.24Å; I181-K205 HydrophobicContact CG2-CG 3.6Å; I181-L208 HydrophobicContact CD1-CB 3.7Å; I181-L208 HydrophobicContact CG1-CB 4.09Å; I181-L208 HydrophobicContact CG1-CD1 4.44Å; I181-L208 HydrophobicContact CG2-CB 4.46Å; I181-L209 HydrophobicContact CB-CD2 4.42Å; I181-L209 HydrophobicContact CD1-CD2 4.12Å; I181-L209 HydrophobicContact CG2-CD2 4.02Å; I181-L209 HydrophobicContact CG2-CG 3.93Å; I181-V212 HydrophobicContact CD1-CG2 3.67Å; I181-V370 HydrophobicContact CG1-CG1 4.03Å; I181-V370 HydrophobicContact CG1-CG2 4.01Å |
| 182 | E | 96.1 | Very high | 93.7 | Very high | 113 Ų | 113 | 62 Ų | 62 | 53% | 0.528 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -21.5 | 173.5 | -63.5 | -60.5 | 126.3 | 0 | 0 | 113.7 | R178 W180 K205 | R178-E182 WeakPolarHBondContact O-CG 3.23Å; R178-E182 PolarHBondContact O-N 3.27Å; W180-E182 PolarHBondContact O-N 3.4Å; E182-K205 WeakPolarHBondContact OE1-CE 3.25Å; E182-K205 IonicContact OE1-NZ 3.94Å; E182-K205 PolarHBondContact OE1-NZ 3.21Å; E182-K205 WeakPolarHBondContact OE2-CE 3.38Å; E182-K205 IonicContact OE2-NZ 2.7Å; E182-K205 PolarHBondContact OE2-NZ 3.41Å |
| 183 | K | 94.3 | Very high | 93.7 | Very high | 49 Ų | 49 | 66.8 Ų | 66.8 | 21% | 0.213 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | 0.7 | -175 | -74.8 | 173.6 | 172.7 | -82.5 | 0 | 113.8 | F82 K179 W180 I181 I374 | F82-K183 HydrophobicContact CD1-CB 4.48Å; F82-K183 HydrophobicContact CD1-CD 4.1Å; F82-K183 HydrophobicContact CD1-CG 4.45Å; F82-K183 HydrophobicContact CE1-CB 3.54Å; F82-K183 HydrophobicContact CE1-CD 3.75Å; F82-K183 HydrophobicContact CE1-CG 3.61Å; F82-K183 HydrophobicContact CE2-CG 4.39Å; F82-K183 HydrophobicContact CZ-CB 3.88Å; F82-K183 HydrophobicContact CZ-CD 3.96Å; F82-K183 HydrophobicContact CZ-CG 3.56Å; F82-K183 VanDerWaalsContact O-CE 3.23Å; F82-K183 WeakPolarHBondContact O-CE 3.48Å; F82-K183 PolarHBondContact O-NZ 2.93Å; K179-K183 WeakPolarHBondContact O-CG 3.16Å; W180-K183 CarbonylContact O-C 3.56Å; W180-K183 WeakPolarHBondContact O-CA 3.45Å; W180-K183 VanDerWaalsContact O-CB 3.29Å; W180-K183 WeakPolarHBondContact O-CB 3.49Å; W180-K183 PolarHBondContact O-N 3.05Å; I181-K183 PolarHBondContact O-N 2.98Å; K183-I374 HydrophobicContact CB-CD1 4.19Å; K183-I374 HydrophobicContact CB-CG1 4.44Å |
| 184 | L | 95.3 | Very high | 93.5 | Very high | 29 Ų | 29 | 69.1 Ų | 69.1 | 15% | 0.152 | 36% | 0.358 | C | S | . | . | trans | -57.3 | 142 | 178.1 | -73.6 | 168.5 | 0 | 0 | 0 | 111 | W180 I181 T186 F202 L208 V370 V373 I374 | W180-L184 PolarHBondContact O-N 3.28Å; I181-L184 HydrophobicContact CB-CD1 4.47Å; I181-L184 HydrophobicContact CG2-CD1 4.2Å; I181-L184 WeakPolarHBondContact O-CG 3.43Å; I181-L184 PolarHBondContact O-N 3.09Å; L184-T186 PolarHBondContact O-N 3.2Å; L184-F202 HydrophobicContact CD1-CE1 4.44Å; L184-F202 HydrophobicContact CD2-CE1 4.19Å; L184-L208 HydrophobicContact CD1-CD1 3.51Å; L184-V370 HydrophobicContact CD2-CG1 4.19Å; L184-V373 HydrophobicContact CD2-CB 3.88Å; L184-V373 HydrophobicContact CD2-CG1 3.57Å; L184-I374 HydrophobicContact CD2-CG1 4.11Å | ||
| 185 | P | 93.1 | Very high | 93.4 | Very high | 21 Ų | 21 | 70.1 Ų | 70.1 | 14% | 0.136 | 36% | 0.362 | C | S | . | . | trans | -63.5 | 136.3 | -178.9 | 24.6 | -32.2 | 0 | 0 | 0 | 112 | G187 Y188 L198 V373 V377 | P185-G187 VanDerWaalsContact C-N 3.34Å; P185-Y188 HydrophobicContact CG-CE1 4.42Å; P185-L198 HydrophobicContact CG-CD2 3.92Å; P185-V373 HydrophobicContact CG-CG1 4.01Å; P185-V377 HydrophobicContact CB-CG1 3.56Å; P185-V377 HydrophobicContact CG-CG1 4.1Å | ||
| 186 | T | 90.5 | Very high | 93.5 | Very high | 135 Ų | 135 | 69.7 Ų | 69.7 | 83% | 0.828 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -94.3 | 6.4 | 171.7 | 59.1 | 0 | 0 | 0 | 0 | 112.5 | L184 F195 | L184-T186 PolarHBondContact O-N 3.2Å; T186-F195 VanDerWaalsContact C-CE2 3.4Å; T186-F195 VanDerWaalsContact O-CE2 3.27Å; T186-F195 WeakPolarHBondContact O-CE2 3.38Å; T186-F195 WeakPolarHBondContact O-CZ 3.32Å |
| 187 | G | 89.2 | Confident | 93.5 | Very high | 30 Ų | 30 | 71.7 Ų | 71.7 | 31% | 0.309 | 36% | 0.357 | S | S | . | . | trans | 170.9 | 163.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | P185 | P185-G187 VanDerWaalsContact C-N 3.34Š| ||
| 188 | Y | 90.4 | Very high | 93.4 | Very high | 26 Ų | 26 | 72.5 Ų | 72.5 | 10% | 0.102 | 36% | 0.361 | C | S | . | . | trans | -118.4 | 140 | 167.9 | -62.2 | -81.7 | 0 | 0 | 0 | 109.4 | P185 N190 K194 F195 L198 S376 V377 | P185-Y188 HydrophobicContact CG-CE1 4.42Å; Y188-N190 PolarHBondContact O-N 3.02Å; Y188-N190 VanDerWaalsContact O-N 3.07Å; Y188-K194 HydrophobicContact CD1-CD 3.87Å; Y188-K194 HydrophobicContact CD1-CG 4.37Å; Y188-K194 HydrophobicContact CD2-CB 4.05Å; Y188-K194 HydrophobicContact CD2-CD 4.16Å; Y188-K194 HydrophobicContact CD2-CG 3.79Å; Y188-K194 HydrophobicContact CE1-CD 4.04Å; Y188-K194 HydrophobicContact CE1-CG 4.35Å; Y188-K194 HydrophobicContact CE2-CB 4.41Å; Y188-K194 HydrophobicContact CE2-CD 4.31Å; Y188-K194 HydrophobicContact CE2-CG 3.76Å; Y188-K194 HydrophobicContact CG-CB 4.42Å; Y188-K194 HydrophobicContact CG-CD 3.94Å; Y188-K194 HydrophobicContact CG-CG 4.1Å; Y188-F195 HydrophobicContact CD2-CB 3.88Å; Y188-F195 HydrophobicContact CD2-CD2 4.27Å; Y188-F195 HydrophobicContact CE2-CD2 4.47Å; Y188-L198 HydrophobicContact CE2-CB 4.03Å; Y188-L198 HydrophobicContact CE2-CD2 3.86Å; Y188-S376 WeakPolarHBondContact CE1-O 3.19Å; Y188-S376 VanDerWaalsContact CE1-OG 3.31Å; Y188-S376 WeakPolarHBondContact CE1-OG 3.42Å; Y188-S376 PolarHBondContact OH-OG 2.88Å; Y188-V377 HydrophobicContact CD1-CG1 4.39Å; Y188-V377 HydrophobicContact CE1-CG1 4.15Å | ||
| 189 | N | 85.6 | Confident | 93.3 | Very high | 126 Ų | 126 | 74.2 Ų | 74.2 | 67% | 0.674 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | 113.7 | 178.4 | -67 | -22.8 | 0 | 0 | 0 | 109.4 | D191 | N189-D191 PolarHBondContact O-N 3.23Š|
| 190 | N | 83.8 | Confident | 93.4 | Very high | 175 Ų | 175 | 75.4 Ų | 75.4 | 94% | 0.936 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.4 | 6.8 | 176.5 | -57.4 | -32.7 | 0 | 0 | 0 | 117 | Y188 | Y188-N190 PolarHBondContact O-N 3.02Å; Y188-N190 VanDerWaalsContact O-N 3.07Å |
| 191 | D | 91.5 | Very high | 93.4 | Very high | 65 Ų | 65 | 79.5 Ų | 79.5 | 35% | 0.348 | 40% | 0.401 | S | S | . | . | trans | -108.8 | 80.1 | 177.8 | -166.8 | -17 | 0 | 0 | 0 | 111.1 | N189 L193 K194 F195 | N189-D191 PolarHBondContact O-N 3.23Å; D191-L193 VanDerWaalsContact C-N 3.31Å; D191-L193 PolarHBondContact O-N 3.29Å; D191-L193 PolarHBondContact OD1-N 3.32Å; D191-K194 HydrophobicContact CB-CB 4.04Å; D191-K194 VanDerWaalsContact OD1-CB 3.24Å; D191-K194 WeakPolarHBondContact OD1-CB 2.83Å; D191-K194 PolarHBondContact OD1-N 2.96Å; D191-K194 WeakPolarHBondContact OD2-CB 3.47Å; D191-K194 WeakPolarHBondContact OD2-CD 3.29Å; D191-F195 PolarHBondContact O-N 2.86Å | ||
| 192 | K | 92.2 | Very high | 93.4 | Very high | 161 Ų | 161 | 80.2 Ų | 80.2 | 70% | 0.7 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -63.3 | -37.6 | 180 | -172 | 178.5 | 178.5 | -176.3 | 0 | 111.8 | F195 E196 | K192-F195 PolarHBondContact O-N 3.31Å; K192-E196 HydrophobicContact CG-CG 4.45Å; K192-E196 WeakPolarHBondContact O-CG 3.43Å; K192-E196 PolarHBondContact O-N 3.27Å |
| 193 | L | 93.6 | Very high | 93.5 | Very high | 147 Ų | 147 | 76 Ų | 76 | 77% | 0.77 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -66.6 | -44.5 | -177.8 | -69.7 | 175.1 | 0 | 0 | 0 | 111.3 | D191 F195 E196 R197 | D191-L193 VanDerWaalsContact C-N 3.31Å; D191-L193 PolarHBondContact O-N 3.29Å; D191-L193 PolarHBondContact OD1-N 3.32Å; L193-F195 VanDerWaalsContact C-N 3.28Å; L193-F195 PolarHBondContact O-N 3.18Å; L193-E196 PolarHBondContact O-N 2.98Å; L193-R197 WeakPolarHBondContact O-CB 3.44Å; L193-R197 PolarHBondContact O-N 3.13Å |
| 194 | K | 94.2 | Very high | 93.6 | Very high | 50 Ų | 50 | 76.9 Ų | 76.9 | 22% | 0.217 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -62.4 | -36.7 | 174.8 | -171 | 177.5 | -179.8 | 173.9 | 0 | 112.2 | Y188 D191 R197 L198 S376 L386 | Y188-K194 HydrophobicContact CD1-CD 3.87Å; Y188-K194 HydrophobicContact CD1-CG 4.37Å; Y188-K194 HydrophobicContact CD2-CB 4.05Å; Y188-K194 HydrophobicContact CD2-CD 4.16Å; Y188-K194 HydrophobicContact CD2-CG 3.79Å; Y188-K194 HydrophobicContact CE1-CD 4.04Å; Y188-K194 HydrophobicContact CE1-CG 4.35Å; Y188-K194 HydrophobicContact CE2-CB 4.41Å; Y188-K194 HydrophobicContact CE2-CD 4.31Å; Y188-K194 HydrophobicContact CE2-CG 3.76Å; Y188-K194 HydrophobicContact CG-CB 4.42Å; Y188-K194 HydrophobicContact CG-CD 3.94Å; Y188-K194 HydrophobicContact CG-CG 4.1Å; D191-K194 HydrophobicContact CB-CB 4.04Å; D191-K194 VanDerWaalsContact OD1-CB 3.24Å; D191-K194 WeakPolarHBondContact OD1-CB 2.83Å; D191-K194 PolarHBondContact OD1-N 2.96Å; D191-K194 WeakPolarHBondContact OD2-CB 3.47Å; D191-K194 WeakPolarHBondContact OD2-CD 3.29Å; K194-R197 PolarHBondContact O-N 3.33Å; K194-L198 PolarHBondContact O-N 3.14Å; K194-S376 VanDerWaalsContact CE-O 3.26Å; K194-S376 WeakPolarHBondContact CE-O 3.35Å; K194-S376 PolarHBondContact NZ-O 2.77Å; K194-L386 HydrophobicContact CG-CD2 3.53Å |
| 195 | F | 95.2 | Very high | 93.7 | Very high | 45 Ų | 45 | 79.5 Ų | 79.5 | 20% | 0.197 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -69.2 | -41.6 | 176 | -171.8 | -134 | 0 | 0 | 0 | 113.3 | T186 Y188 D191 K192 L193 R197 L198 K199 | T186-F195 VanDerWaalsContact C-CE2 3.4Å; T186-F195 VanDerWaalsContact O-CE2 3.27Å; T186-F195 WeakPolarHBondContact O-CE2 3.38Å; T186-F195 WeakPolarHBondContact O-CZ 3.32Å; Y188-F195 HydrophobicContact CD2-CB 3.88Å; Y188-F195 HydrophobicContact CD2-CD2 4.27Å; Y188-F195 HydrophobicContact CE2-CD2 4.47Å; D191-F195 PolarHBondContact O-N 2.86Å; K192-F195 PolarHBondContact O-N 3.31Å; L193-F195 VanDerWaalsContact C-N 3.28Å; L193-F195 PolarHBondContact O-N 3.18Å; F195-R197 VanDerWaalsContact C-N 3.31Å; F195-L198 HydrophobicContact CD2-CD2 4.29Å; F195-L198 HydrophobicContact CE2-CD2 4.48Å; F195-L198 PolarHBondContact O-N 2.78Å; F195-K199 HydrophobicContact CD1-CD 4.48Å; F195-K199 HydrophobicContact CE1-CD 4.23Å; F195-K199 HydrophobicContact CE2-CG 4.38Å; F195-K199 HydrophobicContact CZ-CD 4.29Å; F195-K199 HydrophobicContact CZ-CG 4.5Å; F195-K199 WeakPolarHBondContact O-CG 3.04Å; F195-K199 PolarHBondContact O-N 3.37Å |
| 196 | E | 95.9 | Very high | 93.9 | Very high | 72 Ų | 72 | 81.4 Ų | 81.4 | 34% | 0.336 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -62.7 | -41.1 | 173.3 | -69.6 | -56.7 | 134 | 0 | 0 | 111 | K192 L193 K199 N200 | K192-E196 HydrophobicContact CG-CG 4.45Å; K192-E196 WeakPolarHBondContact O-CG 3.43Å; K192-E196 PolarHBondContact O-N 3.27Å; L193-E196 PolarHBondContact O-N 2.98Å; E196-K199 PolarHBondContact O-N 3.22Å; E196-N200 WeakPolarHBondContact O-CB 3.38Å; E196-N200 PolarHBondContact O-N 2.67Å; E196-N200 PolarHBondContact O-ND2 3.32Å; E196-N200 VanDerWaalsContact O-ND2 3.11Å |
| 197 | R | 96 | Very high | 94.3 | Very high | 74 Ų | 74 | 77.7 Ų | 77.7 | 28% | 0.279 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -58.6 | -49.4 | 174.4 | -170.2 | -179.7 | 168.8 | -154.6 | -3.9 | 112 | L193 K194 F195 K199 N200 E201 D384 L386 S387 I390 | L193-R197 WeakPolarHBondContact O-CB 3.44Å; L193-R197 PolarHBondContact O-N 3.13Å; K194-R197 PolarHBondContact O-N 3.33Å; F195-R197 VanDerWaalsContact C-N 3.31Å; R197-K199 VanDerWaalsContact C-N 3.31Å; R197-K199 PolarHBondContact O-N 2.86Å; R197-N200 PolarHBondContact O-N 2.85Å; R197-E201 VanDerWaalsContact CG-CD 3.47Å; R197-E201 HydrophobicContact CG-CG 4.28Å; R197-E201 WeakPolarHBondContact CG-OE1 3.29Å; R197-E201 IonicContact CZ-OE2 2.6Å; R197-E201 IonicContact NE-OE1 2.81Å; R197-E201 IonicContact NE-OE2 3.63Å; R197-E201 PolarHBondContact NE-OE2 3.26Å; R197-E201 IonicContact NH2-OE2 3.75Å; R197-E201 WeakPolarHBondContact O-CB 3.26Å; R197-E201 PolarHBondContact O-N 2.74Å; R197-D384 IonicContact NH1-OD2 3.43Å; R197-L386 HydrophobicContact CB-CD2 4.37Å; R197-L386 HydrophobicContact CG-CD2 4.41Å; R197-S387 VanDerWaalsContact CZ-OG 3.27Å; R197-S387 PolarHBondContact NH1-OG 3.31Å; R197-S387 PolarHBondContact NH2-OG 3.48Å; R197-I390 HydrophobicContact CG-CD1 4.38Å |
| 198 | L | 96.4 | Very high | 94.8 | Very high | 17 Ų | 17 | 76.2 Ų | 76.2 | 9% | 0.089 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -54.7 | -47.5 | 175.8 | 174.3 | 69.3 | 0 | 0 | 0 | 111.5 | P185 Y188 K194 F195 N200 F202 V373 L386 | P185-L198 HydrophobicContact CG-CD2 3.92Å; Y188-L198 HydrophobicContact CE2-CB 4.03Å; Y188-L198 HydrophobicContact CE2-CD2 3.86Å; K194-L198 PolarHBondContact O-N 3.14Å; F195-L198 HydrophobicContact CD2-CD2 4.29Å; F195-L198 HydrophobicContact CE2-CD2 4.48Å; F195-L198 PolarHBondContact O-N 2.78Å; L198-N200 VanDerWaalsContact C-N 3.32Å; L198-N200 PolarHBondContact O-N 2.59Å; L198-F202 HydrophobicContact CD1-CB 3.68Å; L198-F202 HydrophobicContact CD1-CD1 4.13Å; L198-F202 HydrophobicContact CD1-CG 4.03Å; L198-F202 WeakPolarHBondContact O-CB 3.35Å; L198-F202 PolarHBondContact O-N 3Å; L198-V373 HydrophobicContact CD1-CG1 3.49Å; L198-V373 VanDerWaalsContact CD1-CG1 3.49Å; L198-V373 HydrophobicContact CD1-CG2 4.4Å; L198-L386 HydrophobicContact CB-CD1 4.23Å; L198-L386 HydrophobicContact CD1-CD1 3.77Å |
| 199 | K | 96 | Very high | 95.2 | Very high | 116 Ų | 116 | 77 Ų | 77 | 50% | 0.504 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -63.3 | -36.3 | -179.7 | -77.9 | 177.1 | 170.4 | 170.4 | 0 | 113.6 | F195 E196 R197 | F195-K199 HydrophobicContact CD1-CD 4.48Å; F195-K199 HydrophobicContact CE1-CD 4.23Å; F195-K199 HydrophobicContact CE2-CG 4.38Å; F195-K199 HydrophobicContact CZ-CD 4.29Å; F195-K199 HydrophobicContact CZ-CG 4.5Å; F195-K199 WeakPolarHBondContact O-CG 3.04Å; F195-K199 PolarHBondContact O-N 3.37Å; E196-K199 PolarHBondContact O-N 3.22Å; R197-K199 VanDerWaalsContact C-N 3.31Å; R197-K199 PolarHBondContact O-N 2.86Å |
| 200 | N | 96.6 | Very high | 95.8 | Very high | 127 Ų | 127 | 76.1 Ų | 76.1 | 68% | 0.679 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -87.8 | -33.2 | -173.5 | -66.7 | -26.9 | 0 | 0 | 0 | 112.7 | E196 R197 L198 | E196-N200 WeakPolarHBondContact O-CB 3.38Å; E196-N200 PolarHBondContact O-N 2.67Å; E196-N200 PolarHBondContact O-ND2 3.32Å; E196-N200 VanDerWaalsContact O-ND2 3.11Å; R197-N200 PolarHBondContact O-N 2.85Å; L198-N200 VanDerWaalsContact C-N 3.32Å; L198-N200 PolarHBondContact O-N 2.59Å |
| 201 | E | 97.3 | Very high | 96.5 | Very high | 90 Ų | 90 | 69 Ų | 69 | 42% | 0.421 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -107.8 | -15.1 | -171 | -65.4 | 176.1 | -152.9 | 0 | 0 | 113.7 | R197 I390 | R197-E201 VanDerWaalsContact CG-CD 3.47Å; R197-E201 HydrophobicContact CG-CG 4.28Å; R197-E201 WeakPolarHBondContact CG-OE1 3.29Å; R197-E201 IonicContact CZ-OE2 2.6Å; R197-E201 IonicContact NE-OE1 2.81Å; R197-E201 IonicContact NE-OE2 3.63Å; R197-E201 PolarHBondContact NE-OE2 3.26Å; R197-E201 IonicContact NH2-OE2 3.75Å; R197-E201 WeakPolarHBondContact O-CB 3.26Å; R197-E201 PolarHBondContact O-N 2.74Å; E201-I390 HydrophobicContact CB-CD1 3.72Å; E201-I390 HydrophobicContact CB-CG1 4.18Å; E201-I390 HydrophobicContact CB-CG2 4.07Å; E201-I390 WeakPolarHBondContact OE2-CD1 3.45Å |
| 202 | F | 97.9 | Very high | 96.8 | Very high | 16 Ų | 16 | 66 Ų | 66 | 7% | 0.07 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -114.1 | 137.2 | -179.5 | -158.4 | -102.4 | 0 | 0 | 0 | 111.7 | L184 L198 L208 V373 I390 I393 | L184-F202 HydrophobicContact CD1-CE1 4.44Å; L184-F202 HydrophobicContact CD2-CE1 4.19Å; L198-F202 HydrophobicContact CD1-CB 3.68Å; L198-F202 HydrophobicContact CD1-CD1 4.13Å; L198-F202 HydrophobicContact CD1-CG 4.03Å; L198-F202 WeakPolarHBondContact O-CB 3.35Å; L198-F202 PolarHBondContact O-N 3Å; F202-L208 HydrophobicContact CD1-CD1 4.32Å; F202-L208 HydrophobicContact CE1-CD1 3.64Å; F202-L208 HydrophobicContact CE1-CD2 4.48Å; F202-L208 HydrophobicContact CZ-CD1 4.43Å; F202-V373 HydrophobicContact CD1-CG1 4.43Å; F202-V373 HydrophobicContact CD1-CG2 4.22Å; F202-V373 HydrophobicContact CD2-CG2 3.64Å; F202-V373 HydrophobicContact CE1-CB 4.2Å; F202-V373 HydrophobicContact CE1-CG1 4.26Å; F202-V373 HydrophobicContact CE1-CG2 3.93Å; F202-V373 HydrophobicContact CE2-CB 4.32Å; F202-V373 HydrophobicContact CE2-CG2 3.29Å; F202-V373 HydrophobicContact CG-CG2 4.08Å; F202-V373 HydrophobicContact CZ-CB 4Å; F202-V373 HydrophobicContact CZ-CG2 3.46Å; F202-V373 VanDerWaalsContact CZ-CG2 3.46Å; F202-I390 HydrophobicContact CB-CG1 4.35Å; F202-I390 HydrophobicContact CD2-CG1 3.99Å; F202-I393 HydrophobicContact CD2-CB 4.46Å; F202-I393 HydrophobicContact CD2-CG1 4.08Å; F202-I393 HydrophobicContact CE2-CB 4.07Å; F202-I393 HydrophobicContact CE2-CD1 4.37Å; F202-I393 HydrophobicContact CE2-CG1 3.25Å; F202-I393 HydrophobicContact CZ-CD1 4.38Å; F202-I393 HydrophobicContact CZ-CG1 3.68Å |
| 203 | P | 97.8 | Very high | 97.1 | Very high | 25 Ų | 25 | 60.4 Ų | 60.4 | 16% | 0.162 | 32% | 0.319 | C | S | . | . | trans | -62.3 | 146.5 | -179.5 | -22 | 32.7 | 0 | 0 | 0 | 112.8 | V207 L208 I393 Y397 | P203-V207 HydrophobicContact CB-CB 4.05Å; P203-V207 HydrophobicContact CB-CG1 3.81Å; P203-L208 HydrophobicContact CB-CD2 4.02Å; P203-L208 HydrophobicContact CB-CG 4.1Å; P203-L208 HydrophobicContact CG-CD2 4.24Å; P203-I393 HydrophobicContact CG-CG2 3.61Å; P203-Y397 HydrophobicContact CG-CE2 3.7Å | ||
| 204 | S | 96.9 | Very high | 97.3 | Very high | 67 Ų | 67 | 57 Ų | 57 | 47% | 0.469 | 30% | 0.296 | S | S | . | . | trans | -62.6 | 157.2 | 174.3 | 74.8 | 0 | 0 | 0 | 0 | 111.9 | A206 V207 L208 | S204-A206 PolarHBondContact O-N 3.39Å; S204-V207 WeakPolarHBondContact O-CB 3.37Å; S204-V207 PolarHBondContact O-N 2.96Å; S204-V207 WeakPolarHBondContact OG-CG2 3.37Å; S204-V207 PolarHBondContact OG-N 2.84Å; S204-L208 WeakPolarHBondContact O-CG 3.37Å; S204-L208 PolarHBondContact O-N 2.81Å | ||
| 205 | K | 97.5 | Very high | 97.4 | Very high | 84 Ų | 84 | 54.7 Ų | 54.7 | 37% | 0.365 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -48.2 | -43.7 | 172.9 | 171.1 | 166.1 | -178.9 | -166.8 | 0 | 113.4 | I181 E182 L208 L209 | I181-K205 HydrophobicContact CG2-CB 4.26Å; I181-K205 HydrophobicContact CG2-CD 4.24Å; I181-K205 HydrophobicContact CG2-CG 3.6Å; E182-K205 WeakPolarHBondContact OE1-CE 3.25Å; E182-K205 IonicContact OE1-NZ 3.94Å; E182-K205 PolarHBondContact OE1-NZ 3.21Å; E182-K205 WeakPolarHBondContact OE2-CE 3.38Å; E182-K205 IonicContact OE2-NZ 2.7Å; E182-K205 PolarHBondContact OE2-NZ 3.41Å; K205-L208 PolarHBondContact O-N 2.83Å; K205-L209 HydrophobicContact CG-CD1 4.04Å; K205-L209 VanDerWaalsContact O-CG 3.3Å; K205-L209 WeakPolarHBondContact O-CG 3.31Å; K205-L209 PolarHBondContact O-N 3.36Å |
| 206 | A | 98.2 | Very high | 97.5 | Very high | 62 Ų | 62 | 55.8 Ų | 55.8 | 51% | 0.512 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64.1 | -40.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | S204 L209 N210 | S204-A206 PolarHBondContact O-N 3.39Å; A206-L209 PolarHBondContact O-N 2.83Å; A206-N210 PolarHBondContact O-N 3.37Å; A206-N210 VanDerWaalsContact O-N 3.16Å; A206-N210 PolarHBondContact O-ND2 3.18Å |
| 207 | V | 98.4 | Very high | 97.6 | Very high | 56 Ų | 56 | 60.5 Ų | 60.5 | 34% | 0.339 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -65.2 | -47.2 | 176.2 | 174.2 | 0 | 0 | 0 | 0 | 110.5 | P203 S204 L209 N210 E211 Y397 | P203-V207 HydrophobicContact CB-CB 4.05Å; P203-V207 HydrophobicContact CB-CG1 3.81Å; S204-V207 WeakPolarHBondContact O-CB 3.37Å; S204-V207 PolarHBondContact O-N 2.96Å; S204-V207 WeakPolarHBondContact OG-CG2 3.37Å; S204-V207 PolarHBondContact OG-N 2.84Å; V207-L209 VanDerWaalsContact C-N 3.32Å; V207-L209 PolarHBondContact O-N 2.89Å; V207-N210 WeakPolarHBondContact O-CB 3.13Å; V207-N210 PolarHBondContact O-N 2.96Å; V207-N210 VanDerWaalsContact O-N 3.09Å; V207-E211 HydrophobicContact CG1-CG 4.49Å; V207-E211 WeakPolarHBondContact O-CG 3.3Å; V207-E211 PolarHBondContact O-N 3.33Å; V207-Y397 WeakPolarHBondContact CG1-OH 3.19Å |
| 208 | L | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -59.8 | -41.4 | 178.3 | -64.3 | 166.7 | 0 | 0 | 0 | 112 | I181 L184 F202 P203 S204 K205 N210 E211 V212 L366 V370 I393 | I181-L208 HydrophobicContact CD1-CB 3.7Å; I181-L208 HydrophobicContact CG1-CB 4.09Å; I181-L208 HydrophobicContact CG1-CD1 4.44Å; I181-L208 HydrophobicContact CG2-CB 4.46Å; L184-L208 HydrophobicContact CD1-CD1 3.51Å; F202-L208 HydrophobicContact CD1-CD1 4.32Å; F202-L208 HydrophobicContact CE1-CD1 3.64Å; F202-L208 HydrophobicContact CE1-CD2 4.48Å; F202-L208 HydrophobicContact CZ-CD1 4.43Å; P203-L208 HydrophobicContact CB-CD2 4.02Å; P203-L208 HydrophobicContact CB-CG 4.1Å; P203-L208 HydrophobicContact CG-CD2 4.24Å; S204-L208 WeakPolarHBondContact O-CG 3.37Å; S204-L208 PolarHBondContact O-N 2.81Å; K205-L208 PolarHBondContact O-N 2.83Å; L208-N210 VanDerWaalsContact C-N 3.29Å; L208-N210 PolarHBondContact O-N 3.06Å; L208-E211 PolarHBondContact O-N 3.43Å; L208-V212 WeakPolarHBondContact O-CG2 3Å; L208-V212 PolarHBondContact O-N 3.17Å; L208-L366 HydrophobicContact CD2-CD1 3.73Å; L208-V370 HydrophobicContact CD1-CG2 4.39Å; L208-V370 HydrophobicContact CD2-CG2 4.49Å; L208-I393 HydrophobicContact CD2-CD1 4.43Å |
| 209 | L | 98.6 | Very high | 97.4 | Very high | 42 Ų | 42 | 59.7 Ų | 59.7 | 22% | 0.22 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64.1 | -33.6 | 176.5 | -71.8 | 170.8 | 0 | 0 | 0 | 112.7 | R178 I181 K205 A206 V207 A213 | R178-L209 HydrophobicContact CG-CD2 4.43Å; I181-L209 HydrophobicContact CB-CD2 4.42Å; I181-L209 HydrophobicContact CD1-CD2 4.12Å; I181-L209 HydrophobicContact CG2-CD2 4.02Å; I181-L209 HydrophobicContact CG2-CG 3.93Å; K205-L209 HydrophobicContact CG-CD1 4.04Å; K205-L209 VanDerWaalsContact O-CG 3.3Å; K205-L209 WeakPolarHBondContact O-CG 3.31Å; K205-L209 PolarHBondContact O-N 3.36Å; A206-L209 PolarHBondContact O-N 2.83Å; V207-L209 VanDerWaalsContact C-N 3.32Å; V207-L209 PolarHBondContact O-N 2.89Å; L209-A213 PolarHBondContact O-N 3.49Å; L209-A213 VanDerWaalsContact O-N 3.08Å |
| 210 | N | 98.5 | Very high | 97.2 | Very high | 108 Ų | 108 | 61.6 Ų | 61.6 | 58% | 0.578 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -68.9 | -40.8 | 172.8 | -70.6 | -22.8 | 0 | 0 | 0 | 111.6 | A206 V207 L208 V212 A213 Y214 | A206-N210 PolarHBondContact O-N 3.37Å; A206-N210 VanDerWaalsContact O-N 3.16Å; A206-N210 PolarHBondContact O-ND2 3.18Å; V207-N210 WeakPolarHBondContact O-CB 3.13Å; V207-N210 PolarHBondContact O-N 2.96Å; V207-N210 VanDerWaalsContact O-N 3.09Å; L208-N210 VanDerWaalsContact C-N 3.29Å; L208-N210 PolarHBondContact O-N 3.06Å; N210-V212 VanDerWaalsContact C-N 3.35Å; N210-A213 PolarHBondContact O-N 2.87Å; N210-Y214 PolarHBondContact O-N 2.98Å |
| 211 | E | 98.5 | Very high | 97 | Very high | 26 Ų | 26 | 62.2 Ų | 62.2 | 12% | 0.121 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64.3 | -38.3 | 175.2 | -65.9 | -54.3 | 128.3 | 0 | 0 | 112.1 | V207 L208 Y214 L215 L366 Y396 Y397 K400 | V207-E211 HydrophobicContact CG1-CG 4.49Å; V207-E211 WeakPolarHBondContact O-CG 3.3Å; V207-E211 PolarHBondContact O-N 3.33Å; L208-E211 PolarHBondContact O-N 3.43Å; E211-Y214 WeakPolarHBondContact O-CB 3.33Å; E211-Y214 PolarHBondContact O-N 3.01Å; E211-L215 WeakPolarHBondContact O-CG 3.5Å; E211-L215 PolarHBondContact O-N 3.05Å; E211-L366 HydrophobicContact CB-CD2 4.46Å; E211-Y396 HydrophobicContact CB-CE1 4.17Å; E211-Y396 HydrophobicContact CG-CE1 4.03Å; E211-Y396 VanDerWaalsContact OE2-CE1 3.23Å; E211-Y396 WeakPolarHBondContact OE2-CE1 3.14Å; E211-Y396 PolarHBondContact OE2-OH 3.05Å; E211-Y397 HydrophobicContact CG-CE1 4.16Å; E211-K400 IonicContact OE1-NZ 2.64Å; E211-K400 PolarHBondContact OE1-NZ 3.26Å; E211-K400 IonicContact OE2-NZ 3.32Å; E211-K400 PolarHBondContact OE2-NZ 3.19Å |
| 212 | V | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -60 | -48.1 | 170.7 | 174.4 | 0 | 0 | 0 | 0 | 111.1 | F174 I177 R178 I181 L208 N210 Y214 L215 E216 L366 | F174-V212 HydrophobicContact CB-CG1 4.49Å; F174-V212 HydrophobicContact CD1-CG1 3.99Å; I177-V212 HydrophobicContact CB-CG2 4.35Å; I177-V212 HydrophobicContact CG2-CG2 3.5Å; I177-V212 VanDerWaalsContact CG2-CG2 3.5Å; R178-V212 HydrophobicContact CG-CG1 3.97Å; I181-V212 HydrophobicContact CD1-CG2 3.67Å; L208-V212 WeakPolarHBondContact O-CG2 3Å; L208-V212 PolarHBondContact O-N 3.17Å; N210-V212 VanDerWaalsContact C-N 3.35Å; V212-Y214 VanDerWaalsContact C-N 3.27Å; V212-Y214 PolarHBondContact O-N 2.92Å; V212-L215 PolarHBondContact O-N 2.81Å; V212-E216 HydrophobicContact CG1-CG 4.41Å; V212-E216 PolarHBondContact O-N 3.24Å; V212-L366 HydrophobicContact CG2-CD2 3.7Å |
| 213 | A | 98.4 | Very high | 96.6 | Very high | 44 Ų | 44 | 62.4 Ų | 62.4 | 36% | 0.364 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -63 | -35.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L209 N210 K217 | L209-A213 PolarHBondContact O-N 3.49Å; L209-A213 VanDerWaalsContact O-N 3.08Å; N210-A213 PolarHBondContact O-N 2.87Å; A213-K217 WeakPolarHBondContact O-CB 3.45Å; A213-K217 PolarHBondContact O-N 2.97Å; A213-K217 VanDerWaalsContact O-N 3.1Å |
| 214 | Y | 97.8 | Very high | 96.6 | Very high | 77 Ų | 77 | 61.4 Ų | 61.4 | 30% | 0.302 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61.4 | -49.1 | 172 | 168.3 | -94.3 | 0 | 0 | 0 | 111.5 | N210 E211 V212 K217 L218 K400 | N210-Y214 PolarHBondContact O-N 2.98Å; E211-Y214 WeakPolarHBondContact O-CB 3.33Å; E211-Y214 PolarHBondContact O-N 3.01Å; V212-Y214 VanDerWaalsContact C-N 3.27Å; V212-Y214 PolarHBondContact O-N 2.92Å; Y214-K217 WeakPolarHBondContact O-CB 3.39Å; Y214-K217 PolarHBondContact O-N 3.48Å; Y214-L218 HydrophobicContact CE1-CD2 4.01Å; Y214-L218 WeakPolarHBondContact O-CB 3.5Å; Y214-L218 PolarHBondContact O-N 2.59Å; Y214-K400 HydrophobicContact CE1-CD 4.11Å; Y214-K400 VanDerWaalsContact CE1-CE 3.48Å; Y214-K400 HydrophobicContact CE1-CG 4.35Å |
| 215 | L | 97.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64 | -42.2 | 178.6 | -70.4 | 169.3 | 0 | 0 | 0 | 112.3 | F174 E211 V212 K217 L218 L219 L362 L366 Y396 | F174-L215 HydrophobicContact CE1-CB 3.68Å; F174-L215 HydrophobicContact CE1-CD1 4.42Å; F174-L215 HydrophobicContact CZ-CB 3.98Å; E211-L215 WeakPolarHBondContact O-CG 3.5Å; E211-L215 PolarHBondContact O-N 3.05Å; V212-L215 PolarHBondContact O-N 2.81Å; L215-K217 VanDerWaalsContact C-N 3.26Å; L215-K217 PolarHBondContact O-N 3.09Å; L215-L218 HydrophobicContact CD2-CD2 4.48Å; L215-L218 WeakPolarHBondContact O-CB 3.37Å; L215-L218 PolarHBondContact O-N 2.62Å; L215-L218 VanDerWaalsContact O-N 3.16Å; L215-L219 WeakPolarHBondContact O-CB 3.27Å; L215-L219 PolarHBondContact O-N 3.29Å; L215-L362 HydrophobicContact CD2-CB 3.95Å; L215-L362 HydrophobicContact CD2-CD1 4.27Å; L215-L366 HydrophobicContact CD1-CB 4.46Å; L215-L366 HydrophobicContact CD1-CD2 3.6Å; L215-Y396 HydrophobicContact CD1-CE2 3.88Å; L215-Y396 HydrophobicContact CD2-CE2 4.13Å; L215-Y396 HydrophobicContact CG-CE2 4.29Å |
| 216 | E | 97 | Very high | 96.5 | Very high | 68 Ų | 68 | 58 Ų | 58 | 32% | 0.318 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -59.7 | -38.1 | 175.2 | -77.4 | 178.6 | 128 | 0 | 0 | 111.9 | F174 R178 V212 L219 K220 | F174-E216 HydrophobicContact CB-CG 3.96Å; F174-E216 WeakPolarHBondContact CB-OE1 3.31Å; F174-E216 HydrophobicContact CD1-CG 3.76Å; F174-E216 HydrophobicContact CD2-CG 3.52Å; F174-E216 HydrophobicContact CE1-CG 4.07Å; F174-E216 HydrophobicContact CE2-CG 3.84Å; F174-E216 HydrophobicContact CG-CG 3.46Å; F174-E216 VanDerWaalsContact CG-CG 3.46Å; F174-E216 HydrophobicContact CZ-CG 4.09Å; R178-E216 IonicContact CZ-OE2 2.96Å; R178-E216 IonicContact NE-OE1 3Å; R178-E216 IonicContact NE-OE2 3.25Å; R178-E216 PolarHBondContact NE-OE2 2.87Å; R178-E216 IonicContact NH2-OE2 2.85Å; R178-E216 PolarHBondContact NH2-OE2 3.37Å; V212-E216 HydrophobicContact CG1-CG 4.41Å; V212-E216 PolarHBondContact O-N 3.24Å; E216-L219 CarbonylContact O-C 3.51Å; E216-K220 WeakPolarHBondContact O-CA 3.43Å; E216-K220 PolarHBondContact O-N 2.88Å; E216-K220 VanDerWaalsContact O-N 3.17Å |
| 217 | K | 96.5 | Very high | 96.4 | Very high | 171 Ų | 171 | 55.5 Ų | 55.5 | 74% | 0.743 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -68.3 | -43.3 | 174.6 | -175.4 | -177.8 | 177.3 | -175.1 | 0 | 111.5 | A213 Y214 L215 L219 K220 | A213-K217 WeakPolarHBondContact O-CB 3.45Å; A213-K217 PolarHBondContact O-N 2.97Å; A213-K217 VanDerWaalsContact O-N 3.1Å; Y214-K217 WeakPolarHBondContact O-CB 3.39Å; Y214-K217 PolarHBondContact O-N 3.48Å; L215-K217 VanDerWaalsContact C-N 3.26Å; L215-K217 PolarHBondContact O-N 3.09Å; K217-L219 VanDerWaalsContact C-N 3.29Å; K217-L219 PolarHBondContact O-N 3.49Å; K217-K220 WeakPolarHBondContact O-CB 3.19Å; K217-K220 PolarHBondContact O-N 3.09Å |
| 218 | L | 94 | Very high | 96.3 | Very high | 61 Ų | 61 | 53 Ų | 53 | 32% | 0.319 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.3 | -36.7 | 178.8 | -174.3 | 63.2 | 0 | 0 | 0 | 111.8 | Y214 L215 H359 | Y214-L218 HydrophobicContact CE1-CD2 4.01Å; Y214-L218 WeakPolarHBondContact O-CB 3.5Å; Y214-L218 PolarHBondContact O-N 2.59Å; L215-L218 HydrophobicContact CD2-CD2 4.48Å; L215-L218 WeakPolarHBondContact O-CB 3.37Å; L215-L218 PolarHBondContact O-N 2.62Å; L215-L218 VanDerWaalsContact O-N 3.16Å; L218-H359 HydrophobicContact CD2-CB 4.07Å; L218-H359 HydrophobicContact CG-CB 4.47Å |
| 219 | L | 95.4 | Very high | 96.2 | Very high | 14 Ų | 14 | 53 Ų | 53 | 7% | 0.073 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | 28.9 | -176.8 | -67.3 | 163.7 | 0 | 0 | 0 | 112.4 | F174 L215 E216 K217 N221 P222 E356 H359 F360 S363 | F174-L219 HydrophobicContact CE2-CD1 4.49Å; F174-L219 HydrophobicContact CZ-CB 4.5Å; F174-L219 HydrophobicContact CZ-CD1 3.82Å; L215-L219 WeakPolarHBondContact O-CB 3.27Å; L215-L219 PolarHBondContact O-N 3.29Å; E216-L219 CarbonylContact O-C 3.51Å; K217-L219 VanDerWaalsContact C-N 3.29Å; K217-L219 PolarHBondContact O-N 3.49Å; L219-N221 PolarHBondContact O-N 3.37Å; L219-P222 WeakPolarHBondContact O-CD 3.5Å; L219-E356 HydrophobicContact CD2-CG 4.27Å; L219-H359 HydrophobicContact CD2-CB 3.72Å; L219-H359 HydrophobicContact CG-CB 4.23Å; L219-F360 HydrophobicContact CB-CZ 4.47Å; L219-F360 HydrophobicContact CD1-CD1 3.7Å; L219-F360 HydrophobicContact CD1-CE1 3.63Å; L219-F360 HydrophobicContact CD1-CG 4.23Å; L219-F360 HydrophobicContact CD1-CZ 4.1Å; L219-F360 HydrophobicContact CD2-CD1 4.4Å; L219-F360 HydrophobicContact CD2-CD2 3.92Å; L219-F360 HydrophobicContact CD2-CE1 4.16Å; L219-F360 HydrophobicContact CD2-CE2 3.66Å; L219-F360 HydrophobicContact CD2-CG 4.29Å; L219-F360 HydrophobicContact CD2-CZ 3.78Å; L219-F360 HydrophobicContact CG-CE1 4.35Å; L219-F360 HydrophobicContact CG-CZ 4.34Å; L219-S363 WeakPolarHBondContact CD1-OG 3.4Å |
| 220 | K | 91.6 | Very high | 96.2 | Very high | 156 Ų | 156 | 51 Ų | 51 | 68% | 0.678 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -66.3 | -35.7 | -174.9 | -178.8 | 176.2 | 177.7 | -178 | 0 | 113.7 | E216 K217 P222 | E216-K220 WeakPolarHBondContact O-CA 3.43Å; E216-K220 PolarHBondContact O-N 2.88Å; E216-K220 VanDerWaalsContact O-N 3.17Å; K217-K220 WeakPolarHBondContact O-CB 3.19Å; K217-K220 PolarHBondContact O-N 3.09Å; K220-P222 VanDerWaalsContact C-CD 3.5Å |
| 221 | N | 91.3 | Very high | 96.2 | Very high | 140 Ų | 140 | 45.9 Ų | 45.9 | 75% | 0.749 | 23% | 0.233 | S | C | * | . | S | Bend | trans | -129.2 | 66.6 | -177.5 | -61.6 | -41.3 | 0 | 0 | 0 | 110.3 | L219 | L219-N221 PolarHBondContact O-N 3.37Š|
| 222 | P | 92.3 | Very high | 96.1 | Very high | 35 Ų | 35 | 45.3 Ų | 45.3 | 23% | 0.227 | 23% | 0.23 | C | C | . | . | trans | -70.4 | 144.4 | -177 | 30 | -31.4 | 0 | 0 | 0 | 110.6 | L219 K220 H259 E356 F360 | L219-P222 WeakPolarHBondContact O-CD 3.5Å; K220-P222 VanDerWaalsContact C-CD 3.5Å; P222-H259 WeakPolarHBondContact CG-CE1 3.29Å; P222-H259 WeakPolarHBondContact CG-ND1 3.21Å; P222-E356 VanDerWaalsContact C-OE1 3.27Å; P222-E356 WeakPolarHBondContact CA-OE1 3.24Å; P222-E356 WeakPolarHBondContact CB-OE1 3.31Å; P222-F360 HydrophobicContact CB-CE2 4.36Å; P222-F360 HydrophobicContact CB-CZ 4.4Å | ||
| 223 | I | 94.9 | Very high | 96.1 | Very high | 75 Ų | 75 | 45.3 Ų | 45.3 | 39% | 0.385 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -84.9 | -25.9 | 177 | 64.3 | 162.2 | 0 | 0 | 0 | 112.4 | L349 K352 W353 E356 | I223-L349 HydrophobicContact CD1-CD1 4.01Å; I223-K352 HydrophobicContact CD1-CB 3.42Å; I223-K352 VanDerWaalsContact CD1-CB 3.42Å; I223-W353 HydrophobicContact CD1-CG 4Å; I223-E356 PolarHBondContact N-OE1 3.24Å |
| 224 | S | 97.2 | Very high | 96 | Very high | 3 Ų | 3 | 44.6 Ų | 44.6 | 2% | 0.021 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -71.8 | 137.4 | 175.6 | 63.2 | 0 | 0 | 0 | 0 | 110.9 | H259 A261 E356 | S224-H259 PolarHBondContact O-ND1 3.46Å; S224-H259 VanDerWaalsContact O-ND1 3.07Å; S224-A261 VanDerWaalsContact OG-CB 3.24Å; S224-A261 WeakPolarHBondContact OG-CB 3.34Å; S224-A261 PolarHBondContact OG-N 3.17Å; S224-E356 WeakPolarHBondContact CA-OE2 3.32Å; S224-E356 WeakPolarHBondContact CB-OE2 3.27Å; S224-E356 PolarHBondContact N-OE2 3.29Å; S224-E356 PolarHBondContact OG-OE2 3.3Å |
| 225 | P | 96.5 | Very high | 95.9 | Very high | 48 Ų | 48 | 41.5 Ų | 41.5 | 31% | 0.312 | 21% | 0.211 | S | C | . | . | P | Polyproline II helix | trans | -69 | 153.8 | -177.6 | 29.4 | -35.2 | 0 | 0 | 0 | 111 | V227 A260 | P225-V227 HydrophobicContact CB-CG1 4.14Å; P225-V227 HydrophobicContact CG-CG1 3.97Å; P225-V227 PolarHBondContact O-N 3.42Å; P225-A260 HydrophobicContact CG-CB 4.42Å; P225-A260 PolarHBondContact O-N 3.17Å |
| 226 | V | 96.2 | Very high | 95.8 | Very high | 32 Ų | 32 | 42.7 Ų | 42.7 | 19% | 0.194 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 118.4 | 165.6 | -177 | 0 | 0 | 0 | 0 | 108.7 | R150 T169 P171 F257 N258 H259 | R150-V226 PolarHBondContact NH1-O 2.92Å; R150-V226 PolarHBondContact NH2-O 3.28Å; T169-V226 WeakPolarHBondContact O-CG1 3.4Å; P171-V226 HydrophobicContact CG-CB 4.49Å; P171-V226 HydrophobicContact CG-CG1 3.99Å; P171-V226 HydrophobicContact CG-CG2 3.62Å; V226-F257 HydrophobicContact CG1-CB 4.02Å; V226-F257 HydrophobicContact CG1-CD1 4.34Å; V226-N258 CarbonylContact C-O 3.59Å; V226-N258 VanDerWaalsContact CA-O 3.27Å; V226-N258 WeakPolarHBondContact CA-O 3.5Å; V226-H259 WeakPolarHBondContact CG2-CE1 3.41Å |
| 227 | V | 96.4 | Very high | 95.7 | Very high | 10 Ų | 10 | 40 Ų | 40 | 6% | 0.061 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 172.1 | -177.4 | -62.2 | 0 | 0 | 0 | 0 | 109.5 | H145 P225 C229 F257 N258 A260 | H145-V227 HydrophobicContact CB-CB 4.22Å; H145-V227 HydrophobicContact CB-CG1 4.46Å; H145-V227 HydrophobicContact CB-CG2 3.77Å; H145-V227 WeakPolarHBondContact O-CB 3.34Å; H145-V227 WeakPolarHBondContact O-CG1 3.4Å; P225-V227 HydrophobicContact CB-CG1 4.14Å; P225-V227 HydrophobicContact CG-CG1 3.97Å; P225-V227 PolarHBondContact O-N 3.42Å; V227-C229 PolarHBondContact O-N 3.4Å; V227-F257 CarbonylContact O-C 3.56Å; V227-F257 VanDerWaalsContact O-CA 3.23Å; V227-F257 WeakPolarHBondContact O-CA 3.35Å; V227-N258 PolarHBondContact N-O 2.92Å; V227-N258 PolarHBondContact O-N 2.73Å; V227-N258 VanDerWaalsContact O-O 3.09Å; V227-A260 HydrophobicContact CG2-CB 3.76Å |
| 228 | L | 96 | Very high | 95.8 | Very high | 2 Ų | 2 | 31.9 Ų | 31.9 | 1% | 0.01 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 117.5 | 167.8 | -173.1 | 71.5 | 0 | 0 | 0 | 108.5 | L96 L144 H145 T149 F257 | L96-L228 HydrophobicContact CD2-CD2 3.8Å; L96-L228 HydrophobicContact CG-CD2 4.36Å; L144-L228 HydrophobicContact CD1-CD2 4.35Å; H145-L228 PolarHBondContact CD2-O 3.46Å; H145-L228 VanDerWaalsContact CD2-O 3.28Å; T149-L228 HydrophobicContact CG2-CB 3.91Å; T149-L228 HydrophobicContact CG2-CD1 4.24Å; T149-L228 HydrophobicContact CG2-CD2 3.77Å; T149-L228 HydrophobicContact CG2-CG 4.18Å; L228-F257 HydrophobicContact CD1-CD2 4.2Å; L228-F257 HydrophobicContact CD1-CE2 4.13Å |
| 229 | C | 98 | Very high | 95.9 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 151.7 | 179 | -74.5 | 0 | 0 | 0 | 0 | 110.1 | H145 V227 N231 C255 G256 N258 D263 | H145-C229 PolarHBondContact NE2-SG 2.94Å; V227-C229 PolarHBondContact O-N 3.4Å; C229-N231 VanDerWaalsContact C-N 3.32Å; C229-N231 WeakPolarHBondContact CB-OD1 3.31Å; C229-C255 WeakPolarHBondContact O-CA 3.25Å; C229-C255 PolarHBondContact O-SG 2.72Å; C229-G256 PolarHBondContact N-O 3.4Å; C229-G256 PolarHBondContact O-N 3.18Å; C229-G256 VanDerWaalsContact O-N 3.13Å; C229-N258 HydrophobicContact CB-CB 3.91Å; C229-D263 WeakPolarHBondContact CA-OD2 3.4Å; C229-D263 WeakPolarHBondContact CB-OD1 3.36Å; C229-D263 WeakPolarHBondContact CB-OD2 3.21Å |
| 230 | H | 97.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.162 | C | C | . | . | trans | -70.7 | -35.8 | 168.4 | -168.9 | -65.7 | 0 | 0 | 0 | 110.9 | L144 D232 L233 I250 D251 F252 Y254 C255 D263 | L144-H230 HydrophobicContact CD2-CB 3.99Å; H230-D232 PolarHBondContact CE1-O 3.03Å; H230-D232 PolarHBondContact ND1-N 3.35Å; H230-D232 PolarHBondContact ND1-O 3.45Å; H230-D232 PolarHBondContact O-N 3.03Å; H230-D232 VanDerWaalsContact O-N 3.14Å; H230-L233 HydrophobicContact CB-CD2 3.6Å; H230-L233 HydrophobicContact CB-CG 3.91Å; H230-I250 PolarHBondContact CE1-O 2.95Å; H230-I250 PolarHBondContact NE2-O 2.93Å; H230-D251 PolarHBondContact CE1-O 3.04Å; H230-D251 VanDerWaalsContact CE1-O 3.28Å; H230-F252 AromaticContact CD2-CD1 3.71Å; H230-F252 AromaticContact CD2-CE1 3.44Å; H230-F252 VanDerWaalsContact CD2-CE1 3.44Å; H230-F252 WeakPolarHBondContact CD2-CE1 3.35Å; H230-F252 AromaticContact CD2-CZ 3.98Å; H230-Y254 CarbonylContact O-C 3.52Å; H230-C255 PolarHBondContact O-N 3.07Å; H230-D263 PolarHBondContact N-OD2 3.24Å | ||
| 231 | N | 97.9 | Very high | 96 | Very high | 2 Ų | 2 | 22.9 Ų | 22.9 | 1% | 0.011 | 14% | 0.137 | C | C | . | . | S | Bend | trans | 62.9 | 1.4 | -175.3 | -57.1 | -59.1 | 0 | 0 | 0 | 115.6 | C229 Y254 G256 N258 F262 D263 W368 | C229-N231 VanDerWaalsContact C-N 3.32Å; C229-N231 WeakPolarHBondContact CB-OD1 3.31Å; N231-Y254 WeakPolarHBondContact CB-O 3.3Å; N231-Y254 PolarHBondContact ND2-O 3.17Å; N231-G256 PolarHBondContact ND2-N 2.98Å; N231-G256 PolarHBondContact ND2-O 2.85Å; N231-N258 VanDerWaalsContact OD1-CB 3.31Å; N231-N258 WeakPolarHBondContact OD1-CB 3.21Å; N231-N258 PolarHBondContact OD1-ND2 3.45Å; N231-F262 HydrophobicContact CB-CD1 4.46Å; N231-F262 HydrophobicContact CB-CE1 3.93Å; N231-F262 WeakPolarHBondContact OD1-CD1 3.31Å; N231-D263 WeakPolarHBondContact CA-OD1 3.48Å; N231-D263 PolarHBondContact N-OD1 3.46Å; N231-W368 WeakPolarHBondContact O-CZ2 3.21Å |
| 232 | D | 97 | Very high | 96.2 | Very high | 13 Ų | 13 | 25.4 Ų | 25.4 | 7% | 0.07 | 14% | 0.144 | C | C | . | . | trans | -149.7 | 52.4 | -173.7 | -165.6 | 22.7 | 0 | 0 | 0 | 113.4 | H230 L234 N237 Y254 W368 | H230-D232 PolarHBondContact CE1-O 3.03Å; H230-D232 PolarHBondContact ND1-N 3.35Å; H230-D232 PolarHBondContact ND1-O 3.45Å; H230-D232 PolarHBondContact O-N 3.03Å; H230-D232 VanDerWaalsContact O-N 3.14Å; D232-L234 PolarHBondContact O-N 3.21Å; D232-L234 WeakPolarHBondContact OD1-CD2 3.41Å; D232-N237 PolarHBondContact O-ND2 3.47Å; D232-N237 PolarHBondContact OD2-ND2 2.87Å; D232-Y254 HydrophobicContact CB-CD2 4.14Å; D232-W368 HydrophobicContact CB-CH2 3.89Å; D232-W368 HydrophobicContact CB-CZ2 3.72Å; D232-W368 VanDerWaalsContact CG-CZ2 3.44Å; D232-W368 VanDerWaalsContact OD1-CH2 3.3Å; D232-W368 WeakPolarHBondContact OD1-CH2 3.31Å; D232-W368 WeakPolarHBondContact OD1-CZ2 3.32Å | ||
| 233 | L | 97.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 16% | 0.156 | C | C | . | . | trans | -80.3 | 50.6 | -175.7 | -64.8 | 173.7 | 0 | 0 | 0 | 113.9 | V141 H230 F249 D263 N266 H267 | V141-L233 HydrophobicContact CG1-CD1 4.48Å; V141-L233 HydrophobicContact CG2-CD1 3.62Å; H230-L233 HydrophobicContact CB-CD2 3.6Å; H230-L233 HydrophobicContact CB-CG 3.91Å; L233-F249 HydrophobicContact CD2-CD1 4.1Å; L233-F249 HydrophobicContact CD2-CD2 3.87Å; L233-F249 HydrophobicContact CD2-CE1 4.05Å; L233-F249 HydrophobicContact CD2-CE2 3.78Å; L233-F249 HydrophobicContact CD2-CG 4.04Å; L233-F249 HydrophobicContact CD2-CZ 3.89Å; L233-D263 HydrophobicContact CD1-CB 3.86Å; L233-N266 PolarHBondContact N-ND2 3.48Å; L233-H267 HydrophobicContact CB-CB 4.08Å; L233-H267 HydrophobicContact CD1-CB 4.44Å; L233-H267 PolarHBondContact O-ND1 3.33Å; L233-H267 VanDerWaalsContact O-ND1 3.09Å | ||
| 234 | L | 96.9 | Very high | 96.2 | Very high | 29 Ų | 29 | 27 Ų | 27 | 15% | 0.152 | 15% | 0.15 | C | C | . | . | trans | -78.3 | 160.9 | 171.2 | 80.6 | 116.9 | 0 | 0 | 0 | 111.6 | D232 G236 N237 E270 I274 | D232-L234 PolarHBondContact O-N 3.21Å; D232-L234 WeakPolarHBondContact OD1-CD2 3.41Å; L234-G236 VanDerWaalsContact C-N 3.27Å; L234-G236 PolarHBondContact O-N 2.59Å; L234-N237 VanDerWaalsContact CD2-ND2 3.31Å; L234-N237 WeakPolarHBondContact CD2-ND2 3.32Å; L234-N237 HydrophobicContact CG-CB 4.43Å; L234-N237 PolarHBondContact O-N 3.49Å; L234-E270 HydrophobicContact CB-CB 4.28Å; L234-E270 HydrophobicContact CB-CG 3.84Å; L234-I274 HydrophobicContact CD1-CD1 4.24Å | ||
| 235 | A | 96.4 | Very high | 95.9 | Very high | 13 Ų | 13 | 33.5 Ų | 33.5 | 11% | 0.107 | 18% | 0.178 | C | C | . | . | G | 310 helix | trans | -52.3 | -41 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | I123 V125 F128 N237 I238 | I123-A235 HydrophobicContact CG2-CB 4.25Å; I123-A235 WeakPolarHBondContact O-CB 3.38Å; V125-A235 HydrophobicContact CG2-CB 3.91Å; F128-A235 HydrophobicContact CE1-CB 4.24Å; F128-A235 HydrophobicContact CE2-CB 4.35Å; F128-A235 HydrophobicContact CZ-CB 3.72Å; A235-N237 PolarHBondContact O-N 2.88Å; A235-N237 VanDerWaalsContact O-N 3.17Å; A235-I238 PolarHBondContact O-N 3.21Å |
| 236 | G | 94.4 | Very high | 95.7 | Very high | 25 Ų | 25 | 32.8 Ų | 32.8 | 26% | 0.258 | 17% | 0.173 | S | C | . | . | G | 310 helix | trans | -63.2 | -17.7 | 177 | 0 | 0 | 0 | 0 | 0 | 114.8 | T122 L234 | T122-G236 WeakPolarHBondContact CG2-O 3.11Å; L234-G236 VanDerWaalsContact C-N 3.27Å; L234-G236 PolarHBondContact O-N 2.59Å |
| 237 | N | 96 | Very high | 95.7 | Very high | 11 Ų | 11 | 31.4 Ų | 31.4 | 6% | 0.059 | 16% | 0.164 | C | C | . | . | G | 310 helix | trans | -101.1 | 5.3 | -179.4 | -69 | -11.7 | 0 | 0 | 0 | 113.1 | D232 L234 A235 F249 I250 D251 | D232-N237 PolarHBondContact O-ND2 3.47Å; D232-N237 PolarHBondContact OD2-ND2 2.87Å; L234-N237 VanDerWaalsContact CD2-ND2 3.31Å; L234-N237 WeakPolarHBondContact CD2-ND2 3.32Å; L234-N237 HydrophobicContact CG-CB 4.43Å; L234-N237 PolarHBondContact O-N 3.49Å; A235-N237 PolarHBondContact O-N 2.88Å; A235-N237 VanDerWaalsContact O-N 3.17Å; N237-F249 WeakPolarHBondContact O-CA 3.08Å; N237-I250 WeakPolarHBondContact CB-O 3.36Å; N237-I250 PolarHBondContact O-N 2.83Å; N237-D251 WeakPolarHBondContact OD1-CB 3.46Å |
| 238 | I | 97.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 103.5 | -179.6 | -56 | 171.3 | 0 | 0 | 0 | 108.6 | T122 I123 F128 I137 A235 V247 F249 | T122-I238 CarbonylContact C-O 3.45Å; T122-I238 WeakPolarHBondContact CA-O 3.43Å; I123-I238 HydrophobicContact CG2-CB 3.7Å; I123-I238 HydrophobicContact CG2-CD1 4.43Å; I123-I238 HydrophobicContact CG2-CG2 3.93Å; I123-I238 PolarHBondContact N-O 2.97Å; F128-I238 HydrophobicContact CE1-CD1 3.96Å; F128-I238 HydrophobicContact CZ-CD1 4.12Å; I137-I238 HydrophobicContact CD1-CD1 4.21Å; I137-I238 HydrophobicContact CG1-CD1 4.36Å; I137-I238 HydrophobicContact CG1-CG2 4.28Å; I137-I238 HydrophobicContact CG2-CD1 4.42Å; A235-I238 PolarHBondContact O-N 3.21Å; I238-V247 HydrophobicContact CG2-CB 3.86Å; I238-V247 HydrophobicContact CG2-CG1 4.1Å; I238-V247 HydrophobicContact CG2-CG2 4.37Å; I238-F249 HydrophobicContact CB-CD1 4.47Å; I238-F249 HydrophobicContact CD1-CE1 4.35Å; I238-F249 HydrophobicContact CG1-CD1 3.91Å; I238-F249 HydrophobicContact CG1-CE1 3.93Å; I238-F249 HydrophobicContact CG2-CD1 4.38Å; I238-F249 HydrophobicContact CG2-CE1 4.26Å |
| 239 | V | 96.3 | Very high | 95.6 | Very high | 9 Ų | 9 | 32 Ų | 32 | 6% | 0.055 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 131.7 | 179.7 | 177.6 | 0 | 0 | 0 | 0 | 110.4 | I118 T122 V247 H248 I250 | I118-V239 HydrophobicContact CG2-CG1 4.12Å; T122-V239 HydrophobicContact CG2-CG2 4.5Å; V239-V247 CarbonylContact O-C 3.55Å; V239-V247 WeakPolarHBondContact O-CA 3.31Å; V239-H248 PolarHBondContact N-O 3.36Å; V239-H248 PolarHBondContact O-N 2.97Å; V239-I250 HydrophobicContact CG2-CD1 3.58Å; V239-I250 HydrophobicContact CG2-CG1 3.95Å; V239-I250 HydrophobicContact CG2-CG2 3.92Å |
| 240 | M | 95.6 | Very high | 95.4 | Very high | 10 Ų | 10 | 33.7 Ų | 33.7 | 5% | 0.049 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 122.5 | 177.1 | -167.6 | 179.4 | -52.5 | 0 | 0 | 109.8 | G120 S121 I123 K127 Y133 E244 V247 | G120-M240 CarbonylContact C-O 3.46Å; G120-M240 WeakPolarHBondContact CA-O 3.36Å; S121-M240 PolarHBondContact N-O 2.65Å; S121-M240 PolarHBondContact O-N 3.29Å; I123-M240 HydrophobicContact CB-CE 3.98Å; I123-M240 HydrophobicContact CD1-CE 3.39Å; I123-M240 HydrophobicContact CG1-CE 3.5Å; I123-M240 VanDerWaalsContact CG1-CE 3.5Å; K127-M240 HydrophobicContact CD-CE 4.23Å; Y133-M240 HydrophobicContact CD1-CE 3.39Å; Y133-M240 HydrophobicContact CD1-SD 3.68Å; Y133-M240 HydrophobicContact CE1-CE 3.76Å; Y133-M240 HydrophobicContact CE1-SD 3.47Å; Y133-M240 WeakPolarHBondContact CE1-SD 3.34Å; Y133-M240 HydrophobicContact CG-CE 4.03Å; M240-E244 HydrophobicContact CG-CB 4.22Å; M240-E244 HydrophobicContact CG-CG 4.17Å; M240-E244 HydrophobicContact SD-CB 3.83Å; M240-E244 HydrophobicContact SD-CG 3.65Å; M240-V247 HydrophobicContact CE-CG1 4.4Å |
| 241 | P | 94.4 | Very high | 95.1 | Very high | 23 Ų | 23 | 35.2 Ų | 35.2 | 15% | 0.149 | 18% | 0.183 | C | C | . | . | trans | -64.5 | 164.6 | 172.5 | -22.3 | 35.9 | 0 | 0 | 0 | 112.1 | D243 E244 T246 | P241-D243 PolarHBondContact O-N 3.22Å; P241-E244 WeakPolarHBondContact O-CA 3.4Å; P241-E244 PolarHBondContact O-N 2.66Å; P241-T246 VanDerWaalsContact CD-O 3.25Å; P241-T246 WeakPolarHBondContact CD-O 3.41Å | ||
| 242 | Q | 94.5 | Very high | 94.9 | Very high | 193 Ų | 193 | 36 Ų | 36 | 90% | 0.902 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -27.9 | -177.2 | -69.3 | -177.3 | -8 | 0 | 0 | 114.1 | E244 | Q242-E244 PolarHBondContact O-N 2.93Š|
| 243 | D | 93.8 | Very high | 94.6 | Very high | 92 Ų | 92 | 35.9 Ų | 35.9 | 49% | 0.492 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | -10.8 | 176.6 | 71.5 | -1.3 | 0 | 0 | 0 | 113 | P241 K245 | P241-D243 PolarHBondContact O-N 3.22Å; D243-K245 HydrophobicContact CB-CD 4.42Å; D243-K245 HydrophobicContact CB-CG 4.23Å; D243-K245 PolarHBondContact O-N 3.45Å; D243-K245 PolarHBondContact OD1-N 3.39Å; D243-K245 VanDerWaalsContact OD1-N 3.09Å |
| 244 | E | 93.4 | Very high | 94.4 | Very high | 53 Ų | 53 | 37 Ų | 37 | 25% | 0.248 | 19% | 0.189 | C | C | . | . | trans | 51 | 34.4 | -178.9 | -53.7 | -171.1 | 154.1 | 0 | 0 | 113.9 | K127 K132 Y133 M240 P241 Q242 | K127-E244 IonicContact NZ-OE1 2.76Å; K127-E244 PolarHBondContact NZ-OE1 3.5Å; K132-E244 WeakPolarHBondContact CE-O 3.1Å; K132-E244 IonicContact NZ-OE2 3.57Å; K132-E244 PolarHBondContact NZ-OE2 3.47Å; Y133-E244 HydrophobicContact CE1-CB 4.34Å; Y133-E244 PolarHBondContact OH-OE1 2.85Å; Y133-E244 PolarHBondContact OH-OE2 3.12Å; M240-E244 HydrophobicContact CG-CB 4.22Å; M240-E244 HydrophobicContact CG-CG 4.17Å; M240-E244 HydrophobicContact SD-CB 3.83Å; M240-E244 HydrophobicContact SD-CG 3.65Å; P241-E244 WeakPolarHBondContact O-CA 3.4Å; P241-E244 PolarHBondContact O-N 2.66Å; Q242-E244 PolarHBondContact O-N 2.93Å | ||
| 245 | K | 92.3 | Very high | 94.3 | Very high | 139 Ų | 139 | 36 Ų | 36 | 60% | 0.604 | 19% | 0.185 | S | C | * | . | S | Bend | trans | -96.5 | -16.9 | 179.8 | -67.2 | -175.4 | -176.2 | 171.3 | 0 | 114 | L136 D243 | L136-K245 WeakPolarHBondContact CD2-O 3.21Å; D243-K245 HydrophobicContact CB-CD 4.42Å; D243-K245 HydrophobicContact CB-CG 4.23Å; D243-K245 PolarHBondContact O-N 3.45Å; D243-K245 PolarHBondContact OD1-N 3.39Å; D243-K245 VanDerWaalsContact OD1-N 3.09Å |
| 246 | T | 92.3 | Very high | 94.2 | Very high | 33 Ų | 33 | 35.6 Ų | 35.6 | 20% | 0.202 | 18% | 0.182 | C | C | . | . | trans | -138.6 | 169.7 | 179.5 | 57.9 | 0 | 0 | 0 | 0 | 110.2 | P241 H248 | P241-T246 VanDerWaalsContact CD-O 3.25Å; P241-T246 WeakPolarHBondContact CD-O 3.41Å; T246-H248 PolarHBondContact OG1-NE2 3.44Å | ||
| 247 | V | 95.1 | Very high | 94.2 | Very high | 2 Ų | 2 | 34.5 Ų | 34.5 | 1% | 0.012 | 17% | 0.17 | C | C | . | . | trans | -132 | 147.9 | 164.3 | -63.8 | 0 | 0 | 0 | 0 | 109.5 | L136 I137 Q140 I238 V239 M240 F249 | L136-V247 HydrophobicContact CB-CG1 3.94Å; L136-V247 HydrophobicContact CB-CG2 4.1Å; L136-V247 HydrophobicContact CD1-CG1 4.34Å; L136-V247 WeakPolarHBondContact O-CG2 3.33Å; I137-V247 HydrophobicContact CG1-CG2 4.29Å; Q140-V247 HydrophobicContact CB-CG2 3.76Å; Q140-V247 HydrophobicContact CG-CG2 4.21Å; I238-V247 HydrophobicContact CG2-CB 3.86Å; I238-V247 HydrophobicContact CG2-CG1 4.1Å; I238-V247 HydrophobicContact CG2-CG2 4.37Å; V239-V247 CarbonylContact O-C 3.55Å; V239-V247 WeakPolarHBondContact O-CA 3.31Å; M240-V247 HydrophobicContact CE-CG1 4.4Å; V247-F249 HydrophobicContact CG2-CE1 4.43Å | ||
| 248 | H | 95.2 | Very high | 94.3 | Very high | 17 Ų | 17 | 34 Ų | 34 | 8% | 0.079 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 131.4 | -179.6 | -54.2 | -85.7 | 0 | 0 | 0 | 108.9 | E102 I118 V239 T246 | E102-H248 IonicContact OE1-CE1 3.66Å; E102-H248 PolarHBondContact OE1-CE1 3.01Å; E102-H248 IonicContact OE1-ND1 2.77Å; E102-H248 PolarHBondContact OE1-ND1 2.96Å; E102-H248 IonicContact OE1-NE2 3.04Å; E102-H248 IonicContact OE2-CE1 3.39Å; E102-H248 PolarHBondContact OE2-CE1 3.22Å; E102-H248 VanDerWaalsContact OE2-CE1 3.28Å; E102-H248 IonicContact OE2-CG 3.88Å; E102-H248 IonicContact OE2-ND1 3.6Å; E102-H248 PolarHBondContact OE2-ND1 3.43Å; E102-H248 VanDerWaalsContact OE2-ND1 3.12Å; E102-H248 IonicContact OE2-NE2 2.66Å; I118-H248 HydrophobicContact CD1-CB 4.06Å; I118-H248 HydrophobicContact CG2-CB 3.94Å; V239-H248 PolarHBondContact N-O 3.36Å; V239-H248 PolarHBondContact O-N 2.97Å; T246-H248 PolarHBondContact OG1-NE2 3.44Å |
| 249 | F | 95.9 | Very high | 94.3 | Very high | 7 Ų | 7 | 35.3 Ų | 35.3 | 3% | 0.031 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 142.2 | 174.6 | -57.2 | -28.1 | 0 | 0 | 0 | 110.3 | Q140 V141 L144 L233 N237 I238 V247 F252 | Q140-F249 HydrophobicContact CB-CE1 4.21Å; Q140-F249 HydrophobicContact CB-CE2 4.08Å; Q140-F249 HydrophobicContact CB-CZ 3.7Å; Q140-F249 HydrophobicContact CG-CD1 4.18Å; Q140-F249 HydrophobicContact CG-CD2 3.85Å; Q140-F249 HydrophobicContact CG-CE1 3.84Å; Q140-F249 HydrophobicContact CG-CE2 3.5Å; Q140-F249 HydrophobicContact CG-CG 4.17Å; Q140-F249 HydrophobicContact CG-CZ 3.48Å; Q140-F249 VanDerWaalsContact CG-CZ 3.48Å; V141-F249 HydrophobicContact CG2-CE2 3.9Å; V141-F249 HydrophobicContact CG2-CZ 3.6Å; L144-F249 HydrophobicContact CD2-CD2 4.12Å; L144-F249 HydrophobicContact CD2-CE2 4.39Å; L233-F249 HydrophobicContact CD2-CD1 4.1Å; L233-F249 HydrophobicContact CD2-CD2 3.87Å; L233-F249 HydrophobicContact CD2-CE1 4.05Å; L233-F249 HydrophobicContact CD2-CE2 3.78Å; L233-F249 HydrophobicContact CD2-CG 4.04Å; L233-F249 HydrophobicContact CD2-CZ 3.89Å; N237-F249 WeakPolarHBondContact O-CA 3.08Å; I238-F249 HydrophobicContact CB-CD1 4.47Å; I238-F249 HydrophobicContact CD1-CE1 4.35Å; I238-F249 HydrophobicContact CG1-CD1 3.91Å; I238-F249 HydrophobicContact CG1-CE1 3.93Å; I238-F249 HydrophobicContact CG2-CD1 4.38Å; I238-F249 HydrophobicContact CG2-CE1 4.26Å; V247-F249 HydrophobicContact CG2-CE1 4.43Å; F249-F252 HydrophobicContact CB-CE1 4.43Å; F249-F252 HydrophobicContact CB-CE2 4.44Å; F249-F252 HydrophobicContact CB-CZ 3.8Å; F249-F252 WeakPolarHBondContact O-CE2 3.43Å |
| 250 | I | 94.3 | Very high | 94.4 | Very high | 36 Ų | 36 | 34.9 Ų | 34.9 | 19% | 0.185 | 17% | 0.171 | C | C | . | . | trans | -132.7 | 168.3 | 176.7 | 60.9 | 166.4 | 0 | 0 | 0 | 109.2 | I118 H230 N237 V239 | I118-I250 HydrophobicContact CD1-CG2 3.74Å; I118-I250 HydrophobicContact CG1-CG2 4.35Å; H230-I250 PolarHBondContact CE1-O 2.95Å; H230-I250 PolarHBondContact NE2-O 2.93Å; N237-I250 WeakPolarHBondContact CB-O 3.36Å; N237-I250 PolarHBondContact O-N 2.83Å; V239-I250 HydrophobicContact CG2-CD1 3.58Å; V239-I250 HydrophobicContact CG2-CG1 3.95Å; V239-I250 HydrophobicContact CG2-CG2 3.92Å | ||
| 251 | D | 91.7 | Very high | 94.6 | Very high | 33 Ų | 33 | 34.4 Ų | 34.4 | 18% | 0.176 | 17% | 0.168 | C | C | . | . | trans | 66.5 | 58.5 | 177.3 | -148.6 | -8.8 | 0 | 0 | 0 | 114.3 | R74 H230 N237 E253 | R74-D251 IonicContact CZ-OD1 2.74Å; R74-D251 VanDerWaalsContact CZ-OD1 3.25Å; R74-D251 IonicContact NH1-OD1 3.53Å; R74-D251 PolarHBondContact NH1-OD1 3.19Å; R74-D251 IonicContact NH2-OD1 2.89Å; R74-D251 PolarHBondContact NH2-OD1 3.38Å; R74-D251 IonicContact NH2-OD2 3.24Å; R74-D251 PolarHBondContact NH2-OD2 2.81Å; R74-D251 VanDerWaalsContact NH2-OD2 3.17Å; H230-D251 PolarHBondContact CE1-O 3.04Å; H230-D251 VanDerWaalsContact CE1-O 3.28Å; N237-D251 WeakPolarHBondContact OD1-CB 3.46Å; D251-E253 PolarHBondContact O-N 3.42Å; D251-E253 WeakPolarHBondContact OD1-CB 3.21Å | ||
| 252 | F | 92.4 | Very high | 94.8 | Very high | 19 Ų | 19 | 33.3 Ų | 33.3 | 8% | 0.083 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | -74.7 | 28.6 | 176.8 | -67.3 | -84.4 | 0 | 0 | 0 | 113.6 | L96 L144 H230 F249 Y254 C255 | L96-F252 HydrophobicContact CD1-CB 4.37Å; L96-F252 HydrophobicContact CD1-CD1 3.39Å; L96-F252 HydrophobicContact CD1-CD2 3.87Å; L96-F252 HydrophobicContact CD1-CE1 3.45Å; L96-F252 VanDerWaalsContact CD1-CE1 3.45Å; L96-F252 HydrophobicContact CD1-CE2 3.93Å; L96-F252 HydrophobicContact CD1-CG 3.6Å; L96-F252 HydrophobicContact CD1-CZ 3.72Å; L144-F252 HydrophobicContact CD1-CE1 4.47Å; L144-F252 HydrophobicContact CD2-CE1 4.47Å; H230-F252 AromaticContact CD2-CD1 3.71Å; H230-F252 AromaticContact CD2-CE1 3.44Å; H230-F252 VanDerWaalsContact CD2-CE1 3.44Å; H230-F252 WeakPolarHBondContact CD2-CE1 3.35Å; H230-F252 AromaticContact CD2-CZ 3.98Å; F249-F252 HydrophobicContact CB-CE1 4.43Å; F249-F252 HydrophobicContact CB-CE2 4.44Å; F249-F252 HydrophobicContact CB-CZ 3.8Å; F249-F252 WeakPolarHBondContact O-CE2 3.43Å; F252-Y254 VanDerWaalsContact C-N 3.28Å; F252-Y254 PolarHBondContact O-N 2.89Å; F252-C255 HydrophobicContact CB-CB 3.69Å; F252-C255 HydrophobicContact CD1-CB 3.88Å; F252-C255 HydrophobicContact CG-CB 4.29Å; F252-C255 WeakPolarHBondContact O-CB 3.46Å; F252-C255 PolarHBondContact O-N 3.39Å; F252-C255 VanDerWaalsContact O-N 3.13Å |
| 253 | E | 90.5 | Very high | 95 | Very high | 9 Ų | 9 | 24.1 Ų | 24.1 | 4% | 0.042 | 12% | 0.118 | C | C | . | . | G | 310 helix | trans | -61.5 | -36.7 | -178.3 | -172.7 | 173.9 | -134 | 0 | 0 | 111.9 | S53 N54 R76 V84 D251 | S53-E253 PolarHBondContact OG-OE2 3.42Å; N54-E253 PolarHBondContact ND2-OE1 2.87Å; R76-E253 IonicContact CZ-OE1 2.64Å; R76-E253 IonicContact NH1-OE1 3.28Å; R76-E253 PolarHBondContact NH1-OE1 3Å; R76-E253 IonicContact NH2-OE1 3.52Å; V84-E253 HydrophobicContact CB-CG 4.06Å; V84-E253 HydrophobicContact CG1-CG 3.43Å; V84-E253 VanDerWaalsContact CG1-CG 3.43Å; V84-E253 WeakPolarHBondContact CG1-O 3.42Å; V84-E253 HydrophobicContact CG2-CG 3.81Å; D251-E253 PolarHBondContact O-N 3.42Å; D251-E253 WeakPolarHBondContact OD1-CB 3.21Å |
| 254 | Y | 93.7 | Very high | 95.2 | Very high | 24 Ų | 24 | 19.8 Ų | 19.8 | 9% | 0.094 | 10% | 0.095 | C | C | . | . | G | 310 helix | trans | -99 | 7.4 | 177.1 | -57.8 | -81.2 | 0 | 0 | 0 | 113.1 | I83 V84 W180 H230 N231 D232 F252 F367 W368 W371 | I83-Y254 HydrophobicContact CG2-CE1 4.45Å; V84-Y254 HydrophobicContact CG2-CD1 4.26Å; V84-Y254 HydrophobicContact CG2-CE1 3.54Å; W180-Y254 AromaticContact CH2-CD1 3.86Å; W180-Y254 HydrophobicContact CH2-CD1 3.86Å; W180-Y254 AromaticContact CH2-CE1 3.64Å; W180-Y254 HydrophobicContact CH2-CE1 3.64Å; W180-Y254 HydrophobicContact CZ2-CD1 4.06Å; W180-Y254 AromaticContact CZ2-CE1 3.74Å; W180-Y254 HydrophobicContact CZ2-CE1 3.74Å; H230-Y254 CarbonylContact O-C 3.52Å; N231-Y254 WeakPolarHBondContact CB-O 3.3Å; N231-Y254 PolarHBondContact ND2-O 3.17Å; D232-Y254 HydrophobicContact CB-CD2 4.14Å; F252-Y254 VanDerWaalsContact C-N 3.28Å; F252-Y254 PolarHBondContact O-N 2.89Å; Y254-F367 HydrophobicContact CD1-CZ 4.44Å; Y254-W368 HydrophobicContact CD1-CH2 4.39Å; Y254-W368 AromaticContact CD2-CH2 3.79Å; Y254-W368 HydrophobicContact CD2-CH2 3.79Å; Y254-W368 HydrophobicContact CD2-CZ3 4.46Å; Y254-W368 HydrophobicContact CE2-CH2 4Å; Y254-W368 HydrophobicContact CE2-CZ3 4.24Å; Y254-W368 HydrophobicContact CG-CH2 4.03Å; Y254-W371 AromaticContact CZ-NE1 3.57Å; Y254-W371 PolarHBondContact OH-NE1 3.44Å |
| 255 | C | 95 | Very high | 95.5 | Very high | 9 Ų | 9 | 17.2 Ų | 17.2 | 6% | 0.061 | 8% | 0.083 | C | C | . | . | trans | -59.8 | 141.1 | -179.9 | -173.6 | 0 | 0 | 0 | 0 | 110.8 | H92 C229 H230 F252 | H92-C255 HydrophobicContact CB-CB 4.09Å; H92-C255 PolarHBondContact CE1-O 3.35Å; H92-C255 PolarHBondContact ND1-O 3.45Å; H92-C255 VanDerWaalsContact ND1-O 3.13Å; C229-C255 WeakPolarHBondContact O-CA 3.25Å; C229-C255 PolarHBondContact O-SG 2.72Å; H230-C255 PolarHBondContact O-N 3.07Å; F252-C255 HydrophobicContact CB-CB 3.69Å; F252-C255 HydrophobicContact CD1-CB 3.88Å; F252-C255 HydrophobicContact CG-CB 4.29Å; F252-C255 WeakPolarHBondContact O-CB 3.46Å; F252-C255 PolarHBondContact O-N 3.39Å; F252-C255 VanDerWaalsContact O-N 3.13Å | ||
| 256 | G | 94.2 | Very high | 95.8 | Very high | 3 Ų | 3 | 10.6 Ų | 10.6 | 3% | 0.031 | 5% | 0.054 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 171.4 | 166.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | C229 N231 N258 | C229-G256 PolarHBondContact N-O 3.4Å; C229-G256 PolarHBondContact O-N 3.18Å; C229-G256 VanDerWaalsContact O-N 3.13Å; N231-G256 PolarHBondContact ND2-N 2.98Å; N231-G256 PolarHBondContact ND2-O 2.85Å; G256-N258 PolarHBondContact O-N 3.45Å |
| 257 | F | 95.2 | Very high | 96.1 | Very high | 2 Ų | 2 | 9.1 Ų | 9.1 | 1% | 0.009 | 5% | 0.045 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 131.9 | 179.1 | -76.7 | -98.8 | 0 | 0 | 0 | 110.9 | T149 R150 M153 Y168 T169 P171 V172 V226 V227 L228 | T149-F257 HydrophobicContact CG2-CE1 4.49Å; T149-F257 HydrophobicContact CG2-CE2 4.11Å; T149-F257 HydrophobicContact CG2-CZ 3.61Å; R150-F257 HydrophobicContact CG-CE1 3.74Å; R150-F257 HydrophobicContact CG-CZ 3.89Å; M153-F257 HydrophobicContact CE-CE2 3.87Å; M153-F257 HydrophobicContact CE-CZ 4.43Å; M153-F257 HydrophobicContact SD-CE2 3.52Å; M153-F257 VanDerWaalsContact SD-CE2 3.52Å; M153-F257 HydrophobicContact SD-CZ 4.03Å; Y168-F257 WeakPolarHBondContact O-CD2 3.18Å; T169-F257 VanDerWaalsContact CA-CG 3.48Å; T169-F257 HydrophobicContact CG2-CD1 4.43Å; T169-F257 HydrophobicContact CG2-CD2 4.42Å; T169-F257 HydrophobicContact CG2-CE1 4.08Å; T169-F257 HydrophobicContact CG2-CE2 4.07Å; T169-F257 HydrophobicContact CG2-CZ 3.88Å; P171-F257 CarbonylContact C-O 3.56Å; P171-F257 VanDerWaalsContact CA-O 3.23Å; P171-F257 WeakPolarHBondContact CA-O 3.3Å; V172-F257 PolarHBondContact N-O 2.92Å; V226-F257 HydrophobicContact CG1-CB 4.02Å; V226-F257 HydrophobicContact CG1-CD1 4.34Å; V227-F257 CarbonylContact O-C 3.56Å; V227-F257 VanDerWaalsContact O-CA 3.23Å; V227-F257 WeakPolarHBondContact O-CA 3.35Å; L228-F257 HydrophobicContact CD1-CD2 4.2Å; L228-F257 HydrophobicContact CD1-CE2 4.13Å |
| 258 | N | 97.1 | Very high | 96.3 | Very high | 1 Ų | 1 | 9 Ų | 9 | 1% | 0.005 | 4% | 0.044 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 173.7 | 178.5 | -154.5 | -0.9 | 0 | 0 | 0 | 109.9 | V226 V227 C229 N231 G256 F262 | V226-N258 CarbonylContact C-O 3.59Å; V226-N258 VanDerWaalsContact CA-O 3.27Å; V226-N258 WeakPolarHBondContact CA-O 3.5Å; V227-N258 PolarHBondContact N-O 2.92Å; V227-N258 PolarHBondContact O-N 2.73Å; V227-N258 VanDerWaalsContact O-O 3.09Å; C229-N258 HydrophobicContact CB-CB 3.91Å; N231-N258 VanDerWaalsContact OD1-CB 3.31Å; N231-N258 WeakPolarHBondContact OD1-CB 3.21Å; N231-N258 PolarHBondContact OD1-ND2 3.45Å; G256-N258 PolarHBondContact O-N 3.45Å; N258-F262 WeakPolarHBondContact ND2-CD1 3.47Å; N258-F262 VanDerWaalsContact ND2-CG 3.31Å; N258-F262 WeakPolarHBondContact ND2-CG 3.48Å |
| 259 | H | 98 | Very high | 96.4 | Very high | 28 Ų | 28 | 8.2 Ų | 8.2 | 13% | 0.13 | 4% | 0.041 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 132.5 | 172.9 | -71.9 | -76.6 | 0 | 0 | 0 | 110.4 | P171 P222 S224 V226 A261 F262 F360 | P171-H259 WeakPolarHBondContact CG-NE2 3.38Å; P222-H259 WeakPolarHBondContact CG-CE1 3.29Å; P222-H259 WeakPolarHBondContact CG-ND1 3.21Å; S224-H259 PolarHBondContact O-ND1 3.46Å; S224-H259 VanDerWaalsContact O-ND1 3.07Å; V226-H259 WeakPolarHBondContact CG2-CE1 3.41Å; H259-A261 PolarHBondContact O-N 3.01Å; H259-A261 VanDerWaalsContact O-N 3.13Å; H259-F262 VanDerWaalsContact O-CB 3.24Å; H259-F262 WeakPolarHBondContact O-CB 3.45Å; H259-F262 PolarHBondContact O-N 3.24Å; H259-F360 HydrophobicContact CB-CE1 4.05Å; H259-F360 HydrophobicContact CB-CE2 3.72Å; H259-F360 HydrophobicContact CB-CZ 3.4Å; H259-F360 AromaticContact CD2-CZ 3.66Å; H259-F360 AromaticContact CG-CZ 3.53Å |
| 260 | A | 98.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 8.2 Ų | 8.2 | 0% | 0 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -54.7 | -35.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | P225 V227 F262 D263 I264 W353 | P225-A260 HydrophobicContact CG-CB 4.42Å; P225-A260 PolarHBondContact O-N 3.17Å; V227-A260 HydrophobicContact CG2-CB 3.76Å; A260-F262 PolarHBondContact O-N 3.02Å; A260-D263 PolarHBondContact O-N 3.2Å; A260-I264 WeakPolarHBondContact O-CG1 3.33Å; A260-W353 HydrophobicContact CB-CH2 4.11Å; A260-W353 HydrophobicContact CB-CZ3 4.43Å |
| 261 | A | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -64.9 | -20.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | S224 H259 G265 W353 E356 V357 F360 | S224-A261 VanDerWaalsContact OG-CB 3.24Å; S224-A261 WeakPolarHBondContact OG-CB 3.34Å; S224-A261 PolarHBondContact OG-N 3.17Å; H259-A261 PolarHBondContact O-N 3.01Å; H259-A261 VanDerWaalsContact O-N 3.13Å; A261-G265 PolarHBondContact O-N 2.9Å; A261-W353 HydrophobicContact CB-CE3 4.35Å; A261-W353 HydrophobicContact CB-CZ3 4.22Å; A261-E356 HydrophobicContact CB-CG 4.01Å; A261-V357 HydrophobicContact CB-CG2 3.79Å; A261-F360 HydrophobicContact CB-CD2 3.56Å; A261-F360 HydrophobicContact CB-CE2 3.95Å |
| 262 | F | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 5.6 Ų | 5.6 | 0% | 0 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -66.7 | -48 | 173.1 | 178.9 | -96.3 | 0 | 0 | 0 | 112.4 | L173 N231 N258 H259 A260 I264 G265 N266 F360 A364 | L173-F262 HydrophobicContact CD1-CD2 3.9Å; L173-F262 HydrophobicContact CD1-CE1 4.48Å; L173-F262 HydrophobicContact CD1-CE2 3.36Å; L173-F262 HydrophobicContact CD1-CZ 3.7Å; L173-F262 HydrophobicContact CD2-CD2 3.67Å; L173-F262 HydrophobicContact CD2-CE2 3.99Å; L173-F262 HydrophobicContact CD2-CG 4.38Å; L173-F262 HydrophobicContact CG-CD2 4.4Å; L173-F262 HydrophobicContact CG-CE2 4.3Å; N231-F262 HydrophobicContact CB-CD1 4.46Å; N231-F262 HydrophobicContact CB-CE1 3.93Å; N231-F262 WeakPolarHBondContact OD1-CD1 3.31Å; N258-F262 WeakPolarHBondContact ND2-CD1 3.47Å; N258-F262 VanDerWaalsContact ND2-CG 3.31Å; N258-F262 WeakPolarHBondContact ND2-CG 3.48Å; H259-F262 VanDerWaalsContact O-CB 3.24Å; H259-F262 WeakPolarHBondContact O-CB 3.45Å; H259-F262 PolarHBondContact O-N 3.24Å; A260-F262 PolarHBondContact O-N 3.02Å; F262-I264 PolarHBondContact O-N 3.46Å; F262-G265 PolarHBondContact O-N 3Å; F262-N266 HydrophobicContact CE1-CB 4.33Å; F262-N266 HydrophobicContact CZ-CB 4.44Å; F262-N266 WeakPolarHBondContact O-CB 3.48Å; F262-N266 PolarHBondContact O-N 3.19Å; F262-F360 HydrophobicContact CB-CB 4.31Å; F262-F360 HydrophobicContact CB-CD1 3.93Å; F262-F360 HydrophobicContact CB-CE1 4.47Å; F262-F360 HydrophobicContact CB-CG 4.14Å; F262-F360 HydrophobicContact CD2-CB 4.32Å; F262-F360 HydrophobicContact CD2-CD1 4.04Å; F262-F360 HydrophobicContact CG-CD1 4.49Å; F262-A364 HydrophobicContact CE2-CB 3.95Å; F262-A364 HydrophobicContact CZ-CB 4.33Å |
| 263 | D | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 5.3 Ų | 5.3 | 0% | 0 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -59.9 | -38.3 | 177.7 | -97.7 | 11.2 | 0 | 0 | 0 | 111.6 | H145 C229 H230 N231 L233 A260 H267 | H145-D263 IonicContact CE1-OD2 3.17Å; H145-D263 IonicContact NE2-OD2 2.91Å; H145-D263 PolarHBondContact NE2-OD2 3.42Å; C229-D263 WeakPolarHBondContact CA-OD2 3.4Å; C229-D263 WeakPolarHBondContact CB-OD1 3.36Å; C229-D263 WeakPolarHBondContact CB-OD2 3.21Å; H230-D263 PolarHBondContact N-OD2 3.24Å; N231-D263 WeakPolarHBondContact CA-OD1 3.48Å; N231-D263 PolarHBondContact N-OD1 3.46Å; L233-D263 HydrophobicContact CD1-CB 3.86Å; A260-D263 PolarHBondContact O-N 3.2Å; D263-H267 VanDerWaalsContact O-CB 3.22Å; D263-H267 WeakPolarHBondContact O-CB 3.21Å; D263-H267 PolarHBondContact O-N 2.91Å |
| 264 | I | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 6.9 Ų | 6.9 | 0% | 0 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -66.6 | -53.2 | 176.8 | -53.8 | 175.2 | 0 | 0 | 0 | 110.8 | A260 F262 N266 H267 F268 W291 Y295 W353 V357 | A260-I264 WeakPolarHBondContact O-CG1 3.33Å; F262-I264 PolarHBondContact O-N 3.46Å; I264-N266 VanDerWaalsContact C-N 3.3Å; I264-N266 PolarHBondContact O-N 3Å; I264-H267 PolarHBondContact O-N 3.42Å; I264-F268 HydrophobicContact CG2-CD2 4.36Å; I264-F268 HydrophobicContact CG2-CE1 4.03Å; I264-F268 HydrophobicContact CG2-CE2 3.73Å; I264-F268 HydrophobicContact CG2-CZ 3.53Å; I264-F268 WeakPolarHBondContact O-CG 3.37Å; I264-F268 PolarHBondContact O-N 2.93Å; I264-W291 HydrophobicContact CB-CH2 4.47Å; I264-W291 HydrophobicContact CB-CZ3 4.07Å; I264-W291 HydrophobicContact CD1-CE3 4.37Å; I264-W291 HydrophobicContact CD1-CH2 4.45Å; I264-W291 HydrophobicContact CD1-CZ3 3.63Å; I264-W291 HydrophobicContact CG1-CE3 4.36Å; I264-W291 HydrophobicContact CG1-CH2 3.86Å; I264-W291 HydrophobicContact CG1-CZ3 3.46Å; I264-W291 VanDerWaalsContact CG1-CZ3 3.46Å; I264-W291 HydrophobicContact CG2-CD2 4.39Å; I264-W291 HydrophobicContact CG2-CE3 3.64Å; I264-W291 HydrophobicContact CG2-CH2 4.23Å; I264-W291 HydrophobicContact CG2-CZ3 3.58Å; I264-Y295 HydrophobicContact CD1-CD1 3.7Å; I264-Y295 HydrophobicContact CD1-CD2 4.47Å; I264-Y295 HydrophobicContact CD1-CE1 3.81Å; I264-Y295 HydrophobicContact CD1-CG 4.07Å; I264-W353 HydrophobicContact CD1-CE3 4.21Å; I264-W353 HydrophobicContact CD1-CZ3 3.8Å; I264-V357 HydrophobicContact CB-CG1 4.29Å; I264-V357 HydrophobicContact CB-CG2 4.12Å; I264-V357 HydrophobicContact CD1-CG2 4.37Å; I264-V357 HydrophobicContact CG2-CG1 3.81Å; I264-V357 HydrophobicContact CG2-CG2 4.02Å |
| 265 | G | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -62.3 | -39.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | A261 F262 F268 C269 | A261-G265 PolarHBondContact O-N 2.9Å; F262-G265 PolarHBondContact O-N 3Å; G265-F268 PolarHBondContact O-N 3.03Å; G265-C269 PolarHBondContact O-N 2.89Å; G265-C269 VanDerWaalsContact O-N 3.08Å; G265-C269 PolarHBondContact O-SG 3.29Å |
| 266 | N | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -61.6 | -50.7 | 173 | -175.7 | 69.6 | 0 | 0 | 0 | 111.4 | L233 F262 I264 F268 C269 E270 A364 W368 | L233-N266 PolarHBondContact N-ND2 3.48Å; F262-N266 HydrophobicContact CE1-CB 4.33Å; F262-N266 HydrophobicContact CZ-CB 4.44Å; F262-N266 WeakPolarHBondContact O-CB 3.48Å; F262-N266 PolarHBondContact O-N 3.19Å; I264-N266 VanDerWaalsContact C-N 3.3Å; I264-N266 PolarHBondContact O-N 3Å; N266-F268 PolarHBondContact O-N 3.37Å; N266-C269 WeakPolarHBondContact O-CA 3.34Å; N266-C269 VanDerWaalsContact O-CB 3.28Å; N266-C269 WeakPolarHBondContact O-CB 3.5Å; N266-C269 PolarHBondContact O-N 2.94Å; N266-E270 WeakPolarHBondContact O-CG 3.36Å; N266-E270 PolarHBondContact O-N 3.31Å; N266-E270 VanDerWaalsContact O-N 3.1Å; N266-A364 HydrophobicContact CB-CB 3.96Å; N266-A364 WeakPolarHBondContact OD1-CB 3.4Å; N266-W368 VanDerWaalsContact OD1-CD1 3.26Å; N266-W368 PolarHBondContact OD1-NE1 3.41Å |
| 267 | H | 98.8 | Very high | 96.9 | Very high | 1 Ų | 1 | 20.3 Ų | 20.3 | 1% | 0.005 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -55.7 | -39 | 177.7 | 179.9 | 57.2 | 0 | 0 | 0 | 112 | F128 L233 D263 I264 E270 F271 | F128-H267 AromaticContact CD2-CE1 3.99Å; F128-H267 AromaticContact CE1-CE1 3.78Å; F128-H267 AromaticContact CE2-CE1 3.73Å; F128-H267 AromaticContact CZ-CE1 3.6Å; L233-H267 HydrophobicContact CB-CB 4.08Å; L233-H267 HydrophobicContact CD1-CB 4.44Å; L233-H267 PolarHBondContact O-ND1 3.33Å; L233-H267 VanDerWaalsContact O-ND1 3.09Å; D263-H267 VanDerWaalsContact O-CB 3.22Å; D263-H267 WeakPolarHBondContact O-CB 3.21Å; D263-H267 PolarHBondContact O-N 2.91Å; I264-H267 PolarHBondContact O-N 3.42Å; H267-E270 WeakPolarHBondContact O-CB 3Å; H267-E270 PolarHBondContact O-N 2.97Å; H267-E270 VanDerWaalsContact O-N 3.11Å; H267-F271 AromaticContact NE2-CE2 3.83Å; H267-F271 WeakPolarHBondContact O-CD2 3.49Å |
| 268 | F | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63.9 | -39.7 | 173.5 | -66.2 | -11.2 | 0 | 0 | 0 | 113 | I264 G265 N266 E270 F271 Y282 P283 Q288 W291 V357 | I264-F268 HydrophobicContact CG2-CD2 4.36Å; I264-F268 HydrophobicContact CG2-CE1 4.03Å; I264-F268 HydrophobicContact CG2-CE2 3.73Å; I264-F268 HydrophobicContact CG2-CZ 3.53Å; I264-F268 WeakPolarHBondContact O-CG 3.37Å; I264-F268 PolarHBondContact O-N 2.93Å; G265-F268 PolarHBondContact O-N 3.03Å; N266-F268 PolarHBondContact O-N 3.37Å; F268-E270 PolarHBondContact O-N 2.88Å; F268-F271 HydrophobicContact CD1-CE2 4.28Å; F268-F271 WeakPolarHBondContact O-CB 3.43Å; F268-F271 PolarHBondContact O-N 3.11Å; F268-Y282 HydrophobicContact CB-CD2 4.22Å; F268-Y282 HydrophobicContact CB-CE2 3.55Å; F268-Y282 WeakPolarHBondContact O-CD2 2.95Å; F268-P283 HydrophobicContact CB-CG 4.05Å; F268-P283 HydrophobicContact CD1-CG 3.92Å; F268-P283 HydrophobicContact CG-CG 3.98Å; F268-Q288 HydrophobicContact CD2-CG 3.87Å; F268-Q288 HydrophobicContact CE2-CB 3.85Å; F268-Q288 HydrophobicContact CE2-CG 3.54Å; F268-Q288 HydrophobicContact CZ-CB 4.3Å; F268-Q288 HydrophobicContact CZ-CG 4.18Å; F268-W291 HydrophobicContact CE1-CB 4.18Å; F268-W291 AromaticContact CE1-CD1 3.89Å; F268-W291 AromaticContact CE1-CD2 3.85Å; F268-W291 HydrophobicContact CE1-CD2 3.85Å; F268-W291 HydrophobicContact CE1-CE3 4.44Å; F268-W291 AromaticContact CE1-CG 3.7Å; F268-W291 HydrophobicContact CE1-CG 3.7Å; F268-W291 HydrophobicContact CZ-CB 3.93Å; F268-W291 AromaticContact CZ-CD2 3.99Å; F268-W291 HydrophobicContact CZ-CD2 3.99Å; F268-W291 HydrophobicContact CZ-CE3 4.25Å; F268-W291 AromaticContact CZ-CG 3.86Å; F268-W291 HydrophobicContact CZ-CG 3.86Å; F268-V357 HydrophobicContact CD2-CG1 3.76Å; F268-V357 HydrophobicContact CE2-CG1 3.63Å |
| 269 | C | 98.7 | Very high | 97 | Very high | 1 Ų | 1 | 24.9 Ų | 24.9 | 1% | 0.007 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -59.7 | -30.9 | 172.3 | -64.3 | 0 | 0 | 0 | 0 | 112.2 | G265 N266 F271 A272 H365 | G265-C269 PolarHBondContact O-N 2.89Å; G265-C269 VanDerWaalsContact O-N 3.08Å; G265-C269 PolarHBondContact O-SG 3.29Å; N266-C269 WeakPolarHBondContact O-CA 3.34Å; N266-C269 VanDerWaalsContact O-CB 3.28Å; N266-C269 WeakPolarHBondContact O-CB 3.5Å; N266-C269 PolarHBondContact O-N 2.94Å; C269-F271 PolarHBondContact O-N 3.26Å; C269-A272 WeakPolarHBondContact O-CB 3.33Å; C269-A272 PolarHBondContact O-N 3.06Å; C269-H365 PolarHBondContact SG-NE2 3.38Å; C269-H365 VanDerWaalsContact SG-NE2 3.38Å |
| 270 | E | 98.1 | Very high | 97 | Very high | 6 Ų | 6 | 30.7 Ų | 30.7 | 3% | 0.028 | 17% | 0.171 | C | C | . | . | G | 310 helix | trans | -75.4 | -6.8 | -179.2 | -58.5 | -44.8 | 118.8 | 0 | 0 | 114 | F128 L234 N266 H267 F268 A272 G273 R392 | F128-E270 HydrophobicContact CE2-CB 4.3Å; L234-E270 HydrophobicContact CB-CB 4.28Å; L234-E270 HydrophobicContact CB-CG 3.84Å; N266-E270 WeakPolarHBondContact O-CG 3.36Å; N266-E270 PolarHBondContact O-N 3.31Å; N266-E270 VanDerWaalsContact O-N 3.1Å; H267-E270 WeakPolarHBondContact O-CB 3Å; H267-E270 PolarHBondContact O-N 2.97Å; H267-E270 VanDerWaalsContact O-N 3.11Å; F268-E270 PolarHBondContact O-N 2.88Å; E270-A272 PolarHBondContact O-N 3.08Å; E270-G273 PolarHBondContact O-N 3.47Å; E270-G273 VanDerWaalsContact O-N 3.13Å; E270-R392 IonicContact OE1-CZ 3.71Å; E270-R392 IonicContact OE1-NH1 3.43Å; E270-R392 PolarHBondContact OE1-NH1 3.22Å; E270-R392 IonicContact OE1-NH2 3.93Å; E270-R392 PolarHBondContact OE1-NH2 2.99Å |
| 271 | F | 98.3 | Very high | 96.9 | Very high | 11 Ų | 11 | 34.5 Ų | 34.5 | 5% | 0.048 | 19% | 0.191 | C | C | . | . | G | 310 helix | trans | -63.4 | -21 | 166.3 | -79.2 | -123.7 | 0 | 0 | 0 | 112.3 | V125 F128 H267 F268 C269 G273 N281 P283 Y287 | V125-F271 WeakPolarHBondContact CG1-O 3.27Å; F128-F271 HydrophobicContact CB-CD1 4.13Å; F128-F271 HydrophobicContact CB-CD2 4.24Å; F128-F271 HydrophobicContact CB-CE1 3.66Å; F128-F271 HydrophobicContact CB-CE2 3.78Å; F128-F271 HydrophobicContact CB-CG 4.41Å; F128-F271 HydrophobicContact CB-CZ 3.48Å; F128-F271 VanDerWaalsContact CB-CZ 3.48Å; F128-F271 AromaticContact CD2-CD2 3.63Å; F128-F271 HydrophobicContact CD2-CD2 3.63Å; F128-F271 AromaticContact CD2-CE2 3.76Å; F128-F271 HydrophobicContact CD2-CE2 3.76Å; F128-F271 HydrophobicContact CD2-CG 4.09Å; F128-F271 HydrophobicContact CD2-CZ 4.34Å; F128-F271 HydrophobicContact CE2-CD2 4.4Å; F128-F271 HydrophobicContact CG-CD2 4.38Å; F128-F271 HydrophobicContact CG-CE2 4.12Å; F128-F271 HydrophobicContact CG-CZ 4.31Å; H267-F271 AromaticContact NE2-CE2 3.83Å; H267-F271 WeakPolarHBondContact O-CD2 3.49Å; F268-F271 HydrophobicContact CD1-CE2 4.28Å; F268-F271 WeakPolarHBondContact O-CB 3.43Å; F268-F271 PolarHBondContact O-N 3.11Å; C269-F271 PolarHBondContact O-N 3.26Å; F271-G273 PolarHBondContact O-N 3.47Å; F271-N281 HydrophobicContact CB-CB 4.37Å; F271-N281 WeakPolarHBondContact CB-O 3.33Å; F271-N281 WeakPolarHBondContact O-CB 3.42Å; F271-N281 PolarHBondContact O-ND2 3.45Å; F271-P283 HydrophobicContact CD1-CG 3.75Å; F271-P283 HydrophobicContact CD2-CG 3.94Å; F271-P283 HydrophobicContact CE1-CG 3.76Å; F271-P283 HydrophobicContact CE2-CG 3.96Å; F271-P283 HydrophobicContact CG-CG 3.84Å; F271-P283 HydrophobicContact CZ-CG 3.85Å; F271-Y287 HydrophobicContact CE1-CE1 4.31Å; F271-Y287 AromaticContact CZ-CE1 3.9Å; F271-Y287 HydrophobicContact CZ-CE1 3.9Å |
| 272 | A | 98.1 | Very high | 96.9 | Very high | 4 Ų | 4 | 36.6 Ų | 36.6 | 3% | 0.033 | 20% | 0.199 | C | C | . | . | G | 310 helix | trans | -70.9 | -20.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113 | C269 E270 V277 N278 F279 | C269-A272 WeakPolarHBondContact O-CB 3.33Å; C269-A272 PolarHBondContact O-N 3.06Å; E270-A272 PolarHBondContact O-N 3.08Å; A272-V277 HydrophobicContact CB-CG1 4.2Å; A272-V277 CarbonylContact O-C 3.59Å; A272-V277 WeakPolarHBondContact O-CA 3.05Å; A272-N278 VanDerWaalsContact CA-O 3.26Å; A272-N278 WeakPolarHBondContact CA-O 3.39Å; A272-N278 WeakPolarHBondContact CB-O 3.37Å; A272-N278 PolarHBondContact O-N 3.38Å; A272-F279 HydrophobicContact CB-CD1 3.63Å; A272-F279 HydrophobicContact CB-CE1 4.06Å; A272-F279 HydrophobicContact CB-CG 4.46Å |
| 273 | G | 95.9 | Very high | 96.9 | Very high | 12 Ų | 12 | 37.1 Ų | 37.1 | 12% | 0.124 | 20% | 0.203 | C | C | . | . | trans | 71.2 | 171.7 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | E270 F271 | E270-G273 PolarHBondContact O-N 3.47Å; E270-G273 VanDerWaalsContact O-N 3.13Å; F271-G273 PolarHBondContact O-N 3.47Å | ||
| 274 | I | 92.2 | Very high | 96.8 | Very high | 43 Ų | 43 | 41 Ų | 41 | 22% | 0.221 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -112.5 | -37.2 | -176 | 61 | 169.4 | 0 | 0 | 0 | 113.9 | L234 F383 Y388 | L234-I274 HydrophobicContact CD1-CD1 4.24Å; I274-F383 HydrophobicContact CB-CE2 4.39Å; I274-Y388 HydrophobicContact CB-CE2 4.37Å; I274-Y388 HydrophobicContact CG2-CE2 4.21Å |
| 275 | N | 87.1 | Confident | 96.7 | Very high | 136 Ų | 136 | 46.6 Ų | 46.6 | 73% | 0.727 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -84.6 | -47.2 | -176.1 | -68.8 | -32 | 0 | 0 | 0 | 111.8 | ||
| 276 | V | 91.1 | Very high | 96.6 | Very high | 131 Ų | 131 | 52.9 Ų | 52.9 | 79% | 0.794 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -116.7 | 98.3 | 169.3 | -178.4 | 0 | 0 | 0 | 0 | 106.1 | ||
| 277 | V | 96.6 | Very high | 96.5 | Very high | 50 Ų | 50 | 54.6 Ų | 54.6 | 30% | 0.303 | 29% | 0.287 | S | S | . | . | trans | -81 | 123.5 | -175.3 | -176.7 | 0 | 0 | 0 | 0 | 109.6 | A272 F279 Y388 | A272-V277 HydrophobicContact CB-CG1 4.2Å; A272-V277 CarbonylContact O-C 3.59Å; A272-V277 WeakPolarHBondContact O-CA 3.05Å; V277-F279 HydrophobicContact CG1-CD1 4.05Å; V277-F279 HydrophobicContact CG1-CD2 4.05Å; V277-F279 HydrophobicContact CG1-CE1 3.64Å; V277-F279 HydrophobicContact CG1-CE2 3.65Å; V277-F279 HydrophobicContact CG1-CG 4.25Å; V277-F279 HydrophobicContact CG1-CZ 3.43Å; V277-F279 VanDerWaalsContact CG1-CZ 3.43Å; V277-Y388 HydrophobicContact CG2-CD2 3.95Å; V277-Y388 HydrophobicContact CG2-CE2 4.15Å | ||
| 278 | N | 97.6 | Very high | 96.5 | Very high | 62 Ų | 62 | 55 Ų | 55 | 33% | 0.332 | 29% | 0.289 | S | S | . | . | trans | -129.9 | 97.1 | 169.4 | -176.4 | 11.9 | 0 | 0 | 0 | 110.9 | A272 D280 N281 | A272-N278 VanDerWaalsContact CA-O 3.26Å; A272-N278 WeakPolarHBondContact CA-O 3.39Å; A272-N278 WeakPolarHBondContact CB-O 3.37Å; A272-N278 PolarHBondContact O-N 3.38Å; N278-D280 PolarHBondContact O-N 3.03Å; N278-D280 WeakPolarHBondContact OD1-CB 3.4Å; N278-D280 PolarHBondContact OD1-N 3.33Å; N278-D280 VanDerWaalsContact OD1-N 3.13Å; N278-N281 PolarHBondContact ND2-OD1 2.52Å; N278-N281 VanDerWaalsContact ND2-OD1 3.12Å; N278-N281 WeakPolarHBondContact O-CB 3.35Å; N278-N281 PolarHBondContact O-N 3.48Å; N278-N281 VanDerWaalsContact O-N 3.11Å | ||
| 279 | F | 97.7 | Very high | 96.4 | Very high | 38 Ų | 38 | 57.1 Ų | 57.1 | 17% | 0.167 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -66.7 | -15.5 | -179.7 | -63.9 | -60.1 | 0 | 0 | 0 | 114 | A272 V277 N281 Y282 H365 S391 Q395 | A272-F279 HydrophobicContact CB-CD1 3.63Å; A272-F279 HydrophobicContact CB-CE1 4.06Å; A272-F279 HydrophobicContact CB-CG 4.46Å; V277-F279 HydrophobicContact CG1-CD1 4.05Å; V277-F279 HydrophobicContact CG1-CD2 4.05Å; V277-F279 HydrophobicContact CG1-CE1 3.64Å; V277-F279 HydrophobicContact CG1-CE2 3.65Å; V277-F279 HydrophobicContact CG1-CG 4.25Å; V277-F279 HydrophobicContact CG1-CZ 3.43Å; V277-F279 VanDerWaalsContact CG1-CZ 3.43Å; F279-N281 PolarHBondContact O-N 2.57Å; F279-Y282 WeakPolarHBondContact O-CB 3.44Å; F279-Y282 PolarHBondContact O-N 2.91Å; F279-H365 AromaticContact CE1-CE1 3.88Å; F279-S391 WeakPolarHBondContact CE2-O 3.41Å; F279-Q395 HydrophobicContact CB-CG 4.2Å; F279-Q395 HydrophobicContact CD1-CB 4.05Å; F279-Q395 HydrophobicContact CD1-CG 3.62Å; F279-Q395 HydrophobicContact CD2-CB 3.96Å; F279-Q395 HydrophobicContact CD2-CG 4.14Å; F279-Q395 HydrophobicContact CE1-CB 3.94Å; F279-Q395 HydrophobicContact CE1-CG 3.95Å; F279-Q395 HydrophobicContact CE2-CB 3.84Å; F279-Q395 HydrophobicContact CE2-CG 4.42Å; F279-Q395 HydrophobicContact CG-CB 4.06Å; F279-Q395 HydrophobicContact CG-CG 3.73Å; F279-Q395 HydrophobicContact CZ-CB 3.83Å; F279-Q395 HydrophobicContact CZ-CG 4.33Å |
| 280 | D | 96.6 | Very high | 96.3 | Very high | 150 Ų | 150 | 59.7 Ų | 59.7 | 80% | 0.802 | 31% | 0.313 | S | S | * | . | G | 310 helix | trans | -69.1 | -14.6 | 173.9 | -60.8 | -25.5 | 0 | 0 | 0 | 112.4 | N278 Y282 | N278-D280 PolarHBondContact O-N 3.03Å; N278-D280 WeakPolarHBondContact OD1-CB 3.4Å; N278-D280 PolarHBondContact OD1-N 3.33Å; N278-D280 VanDerWaalsContact OD1-N 3.13Å; D280-Y282 PolarHBondContact O-N 2.84Å |
| 281 | N | 97.6 | Very high | 96.3 | Very high | 79 Ų | 79 | 59.4 Ų | 59.4 | 42% | 0.422 | 31% | 0.311 | S | S | . | . | G | 310 helix | trans | -76.4 | -4.6 | 174 | -69.1 | -11.8 | 0 | 0 | 0 | 113.4 | F271 N278 F279 | F271-N281 HydrophobicContact CB-CB 4.37Å; F271-N281 WeakPolarHBondContact CB-O 3.33Å; F271-N281 WeakPolarHBondContact O-CB 3.42Å; F271-N281 PolarHBondContact O-ND2 3.45Å; N278-N281 PolarHBondContact ND2-OD1 2.52Å; N278-N281 VanDerWaalsContact ND2-OD1 3.12Å; N278-N281 WeakPolarHBondContact O-CB 3.35Å; N278-N281 PolarHBondContact O-N 3.48Å; N278-N281 VanDerWaalsContact O-N 3.11Å; F279-N281 PolarHBondContact O-N 2.57Å |
| 282 | Y | 97.9 | Very high | 96.2 | Very high | 44 Ų | 44 | 58.9 Ų | 58.9 | 17% | 0.173 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -56 | 132.7 | 177.6 | -169.9 | -97.1 | 0 | 0 | 0 | 110.3 | F268 F279 D280 N358 A361 M399 | F268-Y282 HydrophobicContact CB-CD2 4.22Å; F268-Y282 HydrophobicContact CB-CE2 3.55Å; F268-Y282 WeakPolarHBondContact O-CD2 2.95Å; F279-Y282 WeakPolarHBondContact O-CB 3.44Å; F279-Y282 PolarHBondContact O-N 2.91Å; D280-Y282 PolarHBondContact O-N 2.84Å; Y282-N358 WeakPolarHBondContact CE1-OD1 3.48Å; Y282-N358 PolarHBondContact OH-OD1 2.82Å; Y282-A361 HydrophobicContact CE2-CB 4.21Å; Y282-A361 VanDerWaalsContact OH-CB 3.23Å; Y282-A361 WeakPolarHBondContact OH-CB 3.47Å; Y282-M399 HydrophobicContact CE1-CE 4.07Å |
| 283 | P | 98 | Very high | 96.1 | Very high | 11 Ų | 11 | 60 Ų | 60 | 7% | 0.071 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -59.6 | 145.1 | -169.6 | -25 | 33.3 | 0 | 0 | 0 | 114.3 | F268 F271 Y287 Q288 | F268-P283 HydrophobicContact CB-CG 4.05Å; F268-P283 HydrophobicContact CD1-CG 3.92Å; F268-P283 HydrophobicContact CG-CG 3.98Å; F271-P283 HydrophobicContact CD1-CG 3.75Å; F271-P283 HydrophobicContact CD2-CG 3.94Å; F271-P283 HydrophobicContact CE1-CG 3.76Å; F271-P283 HydrophobicContact CE2-CG 3.96Å; F271-P283 HydrophobicContact CG-CG 3.84Å; F271-P283 HydrophobicContact CZ-CG 3.85Å; P283-Y287 HydrophobicContact CB-CD1 3.58Å; P283-Y287 HydrophobicContact CB-CE1 4.26Å; P283-Y287 HydrophobicContact CB-CG 4.19Å; P283-Y287 HydrophobicContact CG-CD1 4.24Å; P283-Y287 HydrophobicContact CG-CE1 4.46Å; P283-Q288 HydrophobicContact CB-CG 3.98Å; P283-Q288 PolarHBondContact O-NE2 3.37Å |
| 284 | T | 97.1 | Very high | 96.1 | Very high | 83 Ų | 83 | 61.2 Ų | 61.2 | 51% | 0.509 | 32% | 0.319 | S | S | . | . | P | Polyproline II helix | trans | -67.6 | 160.5 | 175.8 | 78.1 | 0 | 0 | 0 | 0 | 111.8 | E286 Y287 Q288 | T284-E286 VanDerWaalsContact CB-OE2 3.3Å; T284-E286 WeakPolarHBondContact CB-OE2 3.41Å; T284-E286 PolarHBondContact O-N 3.43Å; T284-E286 PolarHBondContact OG1-OE2 2.76Å; T284-Y287 PolarHBondContact O-N 3.07Å; T284-Y287 VanDerWaalsContact O-N 3.1Å; T284-Y287 PolarHBondContact OG1-N 3.37Å; T284-Q288 VanDerWaalsContact O-CG 3.29Å; T284-Q288 WeakPolarHBondContact O-CG 3.24Å; T284-Q288 PolarHBondContact O-N 2.95Å |
| 285 | K | 96.7 | Very high | 96.4 | Very high | 116 Ų | 116 | 59.1 Ų | 59.1 | 50% | 0.504 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -52.8 | -41.8 | 177.3 | 178.2 | 173.6 | 176.3 | -177.4 | 0 | 112.4 | Q288 L289 L354 | K285-Q288 PolarHBondContact O-N 3.27Å; K285-L289 HydrophobicContact CG-CD1 4.07Å; K285-L289 WeakPolarHBondContact O-CG 2.95Å; K285-L289 PolarHBondContact O-N 3.08Å; K285-L354 HydrophobicContact CD-CD2 4.11Å; K285-L354 HydrophobicContact CG-CD2 3.81Å |
| 286 | E | 96.6 | Very high | 96.8 | Very high | 133 Ų | 133 | 53.6 Ų | 53.6 | 62% | 0.621 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -63.7 | -44.6 | 179.8 | -59.5 | 70.3 | -150.1 | 0 | 0 | 111.1 | T284 L289 M290 | T284-E286 VanDerWaalsContact CB-OE2 3.3Å; T284-E286 WeakPolarHBondContact CB-OE2 3.41Å; T284-E286 PolarHBondContact O-N 3.43Å; T284-E286 PolarHBondContact OG1-OE2 2.76Å; E286-L289 PolarHBondContact O-N 3.4Å; E286-M290 WeakPolarHBondContact O-CB 3.49Å; E286-M290 PolarHBondContact O-N 2.85Å |
| 287 | Y | 97.6 | Very high | 97 | Very high | 35 Ų | 35 | 50 Ų | 50 | 14% | 0.137 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.8 | -43.6 | 176.4 | -175.5 | -79.7 | 0 | 0 | 0 | 111.2 | F128 S134 F271 P283 T284 L289 M290 W291 | F128-Y287 PolarHBondContact O-OH 3.08Å; S134-Y287 VanDerWaalsContact CB-OH 3.29Å; S134-Y287 WeakPolarHBondContact CB-OH 3.48Å; S134-Y287 PolarHBondContact OG-OH 3.33Å; F271-Y287 HydrophobicContact CE1-CE1 4.31Å; F271-Y287 AromaticContact CZ-CE1 3.9Å; F271-Y287 HydrophobicContact CZ-CE1 3.9Å; P283-Y287 HydrophobicContact CB-CD1 3.58Å; P283-Y287 HydrophobicContact CB-CE1 4.26Å; P283-Y287 HydrophobicContact CB-CG 4.19Å; P283-Y287 HydrophobicContact CG-CD1 4.24Å; P283-Y287 HydrophobicContact CG-CE1 4.46Å; T284-Y287 PolarHBondContact O-N 3.07Å; T284-Y287 VanDerWaalsContact O-N 3.1Å; T284-Y287 PolarHBondContact OG1-N 3.37Å; Y287-L289 PolarHBondContact O-N 2.9Å; Y287-M290 HydrophobicContact CD1-CE 4.31Å; Y287-M290 HydrophobicContact CD2-CE 3.63Å; Y287-M290 HydrophobicContact CE1-CE 4.25Å; Y287-M290 HydrophobicContact CE2-CE 3.59Å; Y287-M290 HydrophobicContact CG-CE 4.02Å; Y287-M290 WeakPolarHBondContact O-CB 3.24Å; Y287-M290 PolarHBondContact O-N 3.13Å; Y287-W291 HydrophobicContact CD1-CB 4.49Å; Y287-W291 HydrophobicContact CE1-CB 4.29Å; Y287-W291 AromaticContact CE1-CD1 3.77Å; Y287-W291 HydrophobicContact CE1-CG 4.38Å; Y287-W291 WeakPolarHBondContact O-CB 3.2Å; Y287-W291 PolarHBondContact O-N 3.38Å |
| 288 | Q | 98.2 | Very high | 96.9 | Very high | 11 Ų | 11 | 47.6 Ų | 47.6 | 5% | 0.051 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.6 | -45 | 178.8 | -65.5 | 177.9 | 37.1 | 0 | 0 | 111.6 | F268 P283 T284 K285 M290 W291 I292 L354 N358 | F268-Q288 HydrophobicContact CD2-CG 3.87Å; F268-Q288 HydrophobicContact CE2-CB 3.85Å; F268-Q288 HydrophobicContact CE2-CG 3.54Å; F268-Q288 HydrophobicContact CZ-CB 4.3Å; F268-Q288 HydrophobicContact CZ-CG 4.18Å; P283-Q288 HydrophobicContact CB-CG 3.98Å; P283-Q288 PolarHBondContact O-NE2 3.37Å; T284-Q288 VanDerWaalsContact O-CG 3.29Å; T284-Q288 WeakPolarHBondContact O-CG 3.24Å; T284-Q288 PolarHBondContact O-N 2.95Å; K285-Q288 PolarHBondContact O-N 3.27Å; Q288-M290 PolarHBondContact O-N 2.53Å; Q288-W291 PolarHBondContact O-N 2.78Å; Q288-I292 WeakPolarHBondContact O-CB 3.42Å; Q288-I292 WeakPolarHBondContact O-CD1 3.39Å; Q288-I292 WeakPolarHBondContact O-CG1 3.26Å; Q288-I292 PolarHBondContact O-N 3.4Å; Q288-L354 HydrophobicContact CB-CD1 3.57Å; Q288-L354 HydrophobicContact CG-CD1 4.43Å; Q288-N358 PolarHBondContact OE1-ND2 3.29Å; Q288-N358 PolarHBondContact OE1-OD1 2.89Å |
| 289 | L | 97 | Very high | 96.7 | Very high | 44 Ų | 44 | 45.7 Ų | 45.7 | 23% | 0.23 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.9 | -42.4 | 176.3 | -75.3 | 167.4 | 0 | 0 | 0 | 112 | K285 E286 Y287 S293 L350 L354 | K285-L289 HydrophobicContact CG-CD1 4.07Å; K285-L289 WeakPolarHBondContact O-CG 2.95Å; K285-L289 PolarHBondContact O-N 3.08Å; E286-L289 PolarHBondContact O-N 3.4Å; Y287-L289 PolarHBondContact O-N 2.9Å; L289-S293 VanDerWaalsContact O-CB 3.26Å; L289-S293 WeakPolarHBondContact O-CB 3.5Å; L289-S293 PolarHBondContact O-N 3.15Å; L289-L350 HydrophobicContact CD2-CB 4.02Å; L289-L354 HydrophobicContact CD1-CD2 4.44Å; L289-L354 HydrophobicContact CD2-CB 4.11Å; L289-L354 HydrophobicContact CD2-CD2 4.04Å; L289-L354 HydrophobicContact CD2-CG 4.45Å; L289-L354 HydrophobicContact CG-CD1 4.36Å; L289-L354 HydrophobicContact CG-CD2 4.14Å |
| 290 | M | 95.7 | Very high | 96.5 | Very high | 54 Ų | 54 | 45.4 Ų | 45.4 | 27% | 0.266 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -59.5 | -48.2 | 174.4 | 175.2 | -79.5 | -59.7 | 0 | 0 | 111.3 | E286 Y287 Q288 S293 K294 | E286-M290 WeakPolarHBondContact O-CB 3.49Å; E286-M290 PolarHBondContact O-N 2.85Å; Y287-M290 HydrophobicContact CD1-CE 4.31Å; Y287-M290 HydrophobicContact CD2-CE 3.63Å; Y287-M290 HydrophobicContact CE1-CE 4.25Å; Y287-M290 HydrophobicContact CE2-CE 3.59Å; Y287-M290 HydrophobicContact CG-CE 4.02Å; Y287-M290 WeakPolarHBondContact O-CB 3.24Å; Y287-M290 PolarHBondContact O-N 3.13Å; Q288-M290 PolarHBondContact O-N 2.53Å; M290-S293 PolarHBondContact O-N 3.12Å; M290-K294 WeakPolarHBondContact O-CG 3.38Å; M290-K294 PolarHBondContact O-N 3.4Å; M290-K294 HydrophobicContact SD-CD 3.67Å; M290-K294 VanDerWaalsContact SD-CE 3.6Å; M290-K294 HydrophobicContact SD-CG 4.41Å |
| 291 | W | 97.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.8 | -49.1 | -179.6 | -163.1 | 107.6 | 0 | 0 | 0 | 110.8 | I138 V141 I264 F268 Y287 Q288 S293 K294 Y295 | I138-W291 HydrophobicContact CB-CZ2 4.39Å; I138-W291 HydrophobicContact CD1-CB 4.38Å; I138-W291 HydrophobicContact CD1-CD2 4.1Å; I138-W291 HydrophobicContact CD1-CG 3.8Å; I138-W291 HydrophobicContact CG1-CD2 3.58Å; I138-W291 HydrophobicContact CG1-CE3 4.25Å; I138-W291 HydrophobicContact CG1-CG 3.82Å; I138-W291 HydrophobicContact CG1-CH2 4.26Å; I138-W291 HydrophobicContact CG1-CZ2 3.64Å; I138-W291 VanDerWaalsContact CG1-NE1 3.31Å; V141-W291 HydrophobicContact CB-CH2 4.17Å; V141-W291 HydrophobicContact CG1-CH2 4.15Å; V141-W291 HydrophobicContact CG2-CH2 4.31Å; V141-W291 HydrophobicContact CG2-CZ2 4.42Å; I264-W291 HydrophobicContact CB-CH2 4.47Å; I264-W291 HydrophobicContact CB-CZ3 4.07Å; I264-W291 HydrophobicContact CD1-CE3 4.37Å; I264-W291 HydrophobicContact CD1-CH2 4.45Å; I264-W291 HydrophobicContact CD1-CZ3 3.63Å; I264-W291 HydrophobicContact CG1-CE3 4.36Å; I264-W291 HydrophobicContact CG1-CH2 3.86Å; I264-W291 HydrophobicContact CG1-CZ3 3.46Å; I264-W291 VanDerWaalsContact CG1-CZ3 3.46Å; I264-W291 HydrophobicContact CG2-CD2 4.39Å; I264-W291 HydrophobicContact CG2-CE3 3.64Å; I264-W291 HydrophobicContact CG2-CH2 4.23Å; I264-W291 HydrophobicContact CG2-CZ3 3.58Å; F268-W291 HydrophobicContact CE1-CB 4.18Å; F268-W291 AromaticContact CE1-CD1 3.89Å; F268-W291 AromaticContact CE1-CD2 3.85Å; F268-W291 HydrophobicContact CE1-CD2 3.85Å; F268-W291 HydrophobicContact CE1-CE3 4.44Å; F268-W291 AromaticContact CE1-CG 3.7Å; F268-W291 HydrophobicContact CE1-CG 3.7Å; F268-W291 HydrophobicContact CZ-CB 3.93Å; F268-W291 AromaticContact CZ-CD2 3.99Å; F268-W291 HydrophobicContact CZ-CD2 3.99Å; F268-W291 HydrophobicContact CZ-CE3 4.25Å; F268-W291 AromaticContact CZ-CG 3.86Å; F268-W291 HydrophobicContact CZ-CG 3.86Å; Y287-W291 HydrophobicContact CD1-CB 4.49Å; Y287-W291 HydrophobicContact CE1-CB 4.29Å; Y287-W291 AromaticContact CE1-CD1 3.77Å; Y287-W291 HydrophobicContact CE1-CG 4.38Å; Y287-W291 WeakPolarHBondContact O-CB 3.2Å; Y287-W291 PolarHBondContact O-N 3.38Å; Q288-W291 PolarHBondContact O-N 2.78Å; W291-S293 PolarHBondContact O-N 3.34Å; W291-K294 PolarHBondContact O-N 2.94Å; W291-Y295 HydrophobicContact CE3-CG 4.45Å; W291-Y295 HydrophobicContact CH2-CD2 4.11Å; W291-Y295 HydrophobicContact CH2-CG 4.38Å; W291-Y295 VanDerWaalsContact CZ3-CB 3.45Å; W291-Y295 HydrophobicContact CZ3-CD1 4.5Å; W291-Y295 AromaticContact CZ3-CD2 3.86Å; W291-Y295 HydrophobicContact CZ3-CD2 3.86Å; W291-Y295 AromaticContact CZ3-CG 3.67Å; W291-Y295 HydrophobicContact CZ3-CG 3.67Å; W291-Y295 WeakPolarHBondContact O-CB 3.44Å; W291-Y295 PolarHBondContact O-N 3.44Å |
| 292 | I | 97.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.7 | -44.7 | 178.4 | -69.1 | 164.9 | 0 | 0 | 0 | 111 | Q288 Y295 L296 L350 W353 L354 V357 | Q288-I292 WeakPolarHBondContact O-CB 3.42Å; Q288-I292 WeakPolarHBondContact O-CD1 3.39Å; Q288-I292 WeakPolarHBondContact O-CG1 3.26Å; Q288-I292 PolarHBondContact O-N 3.4Å; I292-Y295 PolarHBondContact O-N 3.11Å; I292-L296 HydrophobicContact CG2-CD1 4.03Å; I292-L296 HydrophobicContact CG2-CG 4.38Å; I292-L296 WeakPolarHBondContact O-CG 3.42Å; I292-L296 PolarHBondContact O-N 3.08Å; I292-L350 HydrophobicContact CG2-CD2 3.93Å; I292-W353 HydrophobicContact CD1-CB 4.47Å; I292-W353 HydrophobicContact CG2-CB 3.66Å; I292-W353 HydrophobicContact CG2-CG 4.21Å; I292-L354 HydrophobicContact CD1-CB 4.21Å; I292-L354 HydrophobicContact CD1-CD1 4.26Å; I292-V357 HydrophobicContact CD1-CB 4.37Å; I292-V357 HydrophobicContact CD1-CG2 4.08Å; I292-V357 HydrophobicContact CG1-CG2 4.42Å |
| 293 | S | 96.1 | Very high | 95.8 | Very high | 29 Ų | 29 | 36.9 Ų | 36.9 | 20% | 0.203 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60 | -48.4 | 178.5 | 179.8 | 0 | 0 | 0 | 0 | 111.8 | L289 M290 W291 Y295 L296 K297 | L289-S293 VanDerWaalsContact O-CB 3.26Å; L289-S293 WeakPolarHBondContact O-CB 3.5Å; L289-S293 PolarHBondContact O-N 3.15Å; M290-S293 PolarHBondContact O-N 3.12Å; W291-S293 PolarHBondContact O-N 3.34Å; S293-Y295 PolarHBondContact O-N 3.09Å; S293-L296 PolarHBondContact O-N 3.23Å; S293-K297 WeakPolarHBondContact O-CG 3.49Å; S293-K297 PolarHBondContact O-N 3.37Å |
| 294 | K | 96 | Very high | 95.5 | Very high | 36 Ų | 36 | 39.8 Ų | 39.8 | 16% | 0.157 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64 | -40.3 | 176.5 | -72.1 | -175.4 | -177.3 | 176.4 | 0 | 112.1 | E135 I138 M290 W291 K297 A298 I332 | E135-K294 HydrophobicContact CG-CD 4.08Å; E135-K294 IonicContact OE1-NZ 2.83Å; E135-K294 PolarHBondContact OE1-NZ 2.98Å; I138-K294 HydrophobicContact CD1-CB 4.02Å; I138-K294 HydrophobicContact CD1-CD 4.13Å; I138-K294 HydrophobicContact CG2-CB 3.96Å; M290-K294 WeakPolarHBondContact O-CG 3.38Å; M290-K294 PolarHBondContact O-N 3.4Å; M290-K294 HydrophobicContact SD-CD 3.67Å; M290-K294 VanDerWaalsContact SD-CE 3.6Å; M290-K294 HydrophobicContact SD-CG 4.41Å; W291-K294 PolarHBondContact O-N 2.94Å; K294-K297 PolarHBondContact O-N 3.18Å; K294-A298 WeakPolarHBondContact O-CB 3.29Å; K294-A298 PolarHBondContact O-N 3.33Å; K294-I332 HydrophobicContact CB-CD1 4.16Å; K294-I332 HydrophobicContact CB-CG2 4.31Å; K294-I332 HydrophobicContact CD-CD1 4.41Å; K294-I332 HydrophobicContact CD-CG2 4.22Å; K294-I332 HydrophobicContact CG-CG2 3.92Å |
| 295 | Y | 97.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59.9 | -47.5 | 175.9 | 167.5 | -98.6 | 0 | 0 | 0 | 112.2 | I138 V141 A142 H145 I264 W291 I292 S293 K297 A298 K299 W353 | I138-Y295 VanDerWaalsContact CG2-CA 3.48Å; V141-Y295 HydrophobicContact CG1-CD2 4.27Å; V141-Y295 HydrophobicContact CG1-CE2 3.91Å; A142-Y295 HydrophobicContact CB-CD2 3.9Å; A142-Y295 HydrophobicContact CB-CE2 3.99Å; H145-Y295 AromaticContact ND1-CE2 3.67Å; H145-Y295 AromaticContact ND1-CZ 3.58Å; H145-Y295 PolarHBondContact ND1-OH 3.01Å; I264-Y295 HydrophobicContact CD1-CD1 3.7Å; I264-Y295 HydrophobicContact CD1-CD2 4.47Å; I264-Y295 HydrophobicContact CD1-CE1 3.81Å; I264-Y295 HydrophobicContact CD1-CG 4.07Å; W291-Y295 HydrophobicContact CE3-CG 4.45Å; W291-Y295 HydrophobicContact CH2-CD2 4.11Å; W291-Y295 HydrophobicContact CH2-CG 4.38Å; W291-Y295 VanDerWaalsContact CZ3-CB 3.45Å; W291-Y295 HydrophobicContact CZ3-CD1 4.5Å; W291-Y295 AromaticContact CZ3-CD2 3.86Å; W291-Y295 HydrophobicContact CZ3-CD2 3.86Å; W291-Y295 AromaticContact CZ3-CG 3.67Å; W291-Y295 HydrophobicContact CZ3-CG 3.67Å; W291-Y295 WeakPolarHBondContact O-CB 3.44Å; W291-Y295 PolarHBondContact O-N 3.44Å; I292-Y295 PolarHBondContact O-N 3.11Å; S293-Y295 PolarHBondContact O-N 3.09Å; Y295-K297 VanDerWaalsContact C-N 3.33Å; Y295-K297 PolarHBondContact O-N 3.01Å; Y295-A298 PolarHBondContact O-N 2.99Å; Y295-K299 HydrophobicContact CE1-CD 4.04Å; Y295-K299 WeakPolarHBondContact O-CB 3.35Å; Y295-K299 PolarHBondContact O-N 3.25Å; Y295-K299 WeakPolarHBondContact OH-CD 3.13Å; Y295-W353 HydrophobicContact CD1-CZ3 4.28Å; Y295-W353 AromaticContact CE1-CH2 3.78Å; Y295-W353 HydrophobicContact CE1-CH2 3.78Å; Y295-W353 AromaticContact CE1-CZ3 3.75Å; Y295-W353 HydrophobicContact CE1-CZ3 3.75Å |
| 296 | L | 96.2 | Very high | 94.8 | Very high | 19 Ų | 19 | 34.2 Ų | 34.2 | 10% | 0.099 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63.3 | -39.9 | 180 | -69.6 | 175.1 | 0 | 0 | 0 | 112 | I292 S293 N300 L349 L350 W353 | I292-L296 HydrophobicContact CG2-CD1 4.03Å; I292-L296 HydrophobicContact CG2-CG 4.38Å; I292-L296 WeakPolarHBondContact O-CG 3.42Å; I292-L296 PolarHBondContact O-N 3.08Å; S293-L296 PolarHBondContact O-N 3.23Å; L296-N300 WeakPolarHBondContact O-CB 3.48Å; L296-N300 PolarHBondContact O-N 2.78Å; L296-N300 VanDerWaalsContact O-N 3.08Å; L296-L349 HydrophobicContact CD1-CD2 4.47Å; L296-L350 HydrophobicContact CD1-CD2 3.87Å; L296-W353 HydrophobicContact CD1-CG 4.45Å; L296-W353 HydrophobicContact CD2-CD2 4.19Å; L296-W353 HydrophobicContact CD2-CH2 4.11Å; L296-W353 HydrophobicContact CD2-CZ2 3.68Å |
| 297 | K | 94.7 | Very high | 94.3 | Very high | 56 Ų | 56 | 32.3 Ų | 32.3 | 24% | 0.243 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.1 | -53 | 173.6 | -70.3 | 178.4 | -179.1 | -174.1 | 0 | 111.3 | S293 K294 Y295 K299 N300 Y301 W344 | S293-K297 WeakPolarHBondContact O-CG 3.49Å; S293-K297 PolarHBondContact O-N 3.37Å; K294-K297 PolarHBondContact O-N 3.18Å; Y295-K297 VanDerWaalsContact C-N 3.33Å; Y295-K297 PolarHBondContact O-N 3.01Å; K297-K299 VanDerWaalsContact C-N 3.33Å; K297-K299 PolarHBondContact O-N 2.9Å; K297-N300 PolarHBondContact O-N 3.31Å; K297-Y301 PolarHBondContact O-N 3.31Å; K297-Y301 VanDerWaalsContact O-N 3.08Å; K297-W344 HydrophobicContact CG-CE3 4.21Å |
| 298 | A | 94.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.9 | -41.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | A142 K294 Y295 Y301 Y302 I332 | A142-A298 HydrophobicContact CB-CB 3.57Å; K294-A298 WeakPolarHBondContact O-CB 3.29Å; K294-A298 PolarHBondContact O-N 3.33Å; Y295-A298 PolarHBondContact O-N 2.99Å; A298-Y301 WeakPolarHBondContact O-CB 3.45Å; A298-Y301 PolarHBondContact O-N 3.26Å; A298-Y302 HydrophobicContact CB-CE2 4.48Å; A298-Y302 WeakPolarHBondContact O-CD2 3.38Å; A298-Y302 PolarHBondContact O-N 2.93Å; A298-I332 HydrophobicContact CB-CG1 4.11Å |
| 299 | K | 94.4 | Very high | 93.1 | Very high | 22 Ų | 22 | 36.3 Ų | 36.3 | 10% | 0.096 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.3 | -50.6 | 178.9 | -178.1 | -171.5 | 179.2 | -79.6 | 0 | 110.8 | A142 S146 Y295 K297 Y301 Y302 E303 | A142-K299 HydrophobicContact CB-CB 4.21Å; S146-K299 PolarHBondContact OG-O 3.13Å; Y295-K299 HydrophobicContact CE1-CD 4.04Å; Y295-K299 WeakPolarHBondContact O-CB 3.35Å; Y295-K299 PolarHBondContact O-N 3.25Å; Y295-K299 WeakPolarHBondContact OH-CD 3.13Å; K297-K299 VanDerWaalsContact C-N 3.33Å; K297-K299 PolarHBondContact O-N 2.9Å; K299-Y301 VanDerWaalsContact C-N 3.29Å; K299-Y301 PolarHBondContact O-N 2.91Å; K299-Y302 PolarHBondContact O-N 3.29Å; K299-E303 HydrophobicContact CG-CG 4.45Å; K299-E303 IonicContact NZ-OE1 3.46Å; K299-E303 PolarHBondContact NZ-OE1 3.16Å; K299-E303 IonicContact NZ-OE2 2.76Å; K299-E303 PolarHBondContact NZ-OE2 3.41Å; K299-E303 WeakPolarHBondContact O-CG 3.36Å; K299-E303 PolarHBondContact O-N 3.4Å |
| 300 | N | 93.1 | Very high | 92.3 | Very high | 32 Ų | 32 | 35.6 Ų | 35.6 | 17% | 0.171 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -59.5 | -41.3 | 177.8 | 170.6 | 78.8 | 0 | 0 | 0 | 112.1 | L296 K297 E303 K304 W344 | L296-N300 WeakPolarHBondContact O-CB 3.48Å; L296-N300 PolarHBondContact O-N 2.78Å; L296-N300 VanDerWaalsContact O-N 3.08Å; K297-N300 PolarHBondContact O-N 3.31Å; N300-E303 PolarHBondContact O-N 3.4Å; N300-K304 WeakPolarHBondContact ND2-CE 3.45Å; N300-K304 WeakPolarHBondContact O-CG 3.17Å; N300-K304 PolarHBondContact O-N 3.36Å; N300-W344 HydrophobicContact CB-CH2 4.34Å; N300-W344 HydrophobicContact CB-CZ2 3.97Å; N300-W344 WeakPolarHBondContact ND2-CH2 3.17Å; N300-W344 WeakPolarHBondContact ND2-CZ2 3.49Å |
| 301 | Y | 92.8 | Very high | 91.7 | Very high | 27 Ų | 27 | 38.3 Ų | 38.3 | 11% | 0.106 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -57.1 | -51.7 | 174.2 | 173.5 | -88.1 | 0 | 0 | 0 | 111.8 | K297 A298 K299 K304 K305 C331 Q334 | K297-Y301 PolarHBondContact O-N 3.31Å; K297-Y301 VanDerWaalsContact O-N 3.08Å; A298-Y301 WeakPolarHBondContact O-CB 3.45Å; A298-Y301 PolarHBondContact O-N 3.26Å; K299-Y301 VanDerWaalsContact C-N 3.29Å; K299-Y301 PolarHBondContact O-N 2.91Å; Y301-K304 PolarHBondContact O-N 3.49Å; Y301-K305 HydrophobicContact CD1-CG 4.24Å; Y301-K305 HydrophobicContact CE1-CG 3.84Å; Y301-K305 WeakPolarHBondContact O-CG 3.22Å; Y301-K305 PolarHBondContact O-N 2.99Å; Y301-K305 WeakPolarHBondContact OH-CE 3.41Å; Y301-C331 HydrophobicContact CD1-CB 3.53Å; Y301-C331 HydrophobicContact CD2-CB 4.11Å; Y301-C331 HydrophobicContact CE1-CB 3.61Å; Y301-C331 HydrophobicContact CE2-CB 4.15Å; Y301-C331 HydrophobicContact CG-CB 3.8Å; Y301-Q334 PolarHBondContact OH-OE1 3.33Å |
| 302 | Y | 92.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66.1 | -40.1 | -178.9 | -75.5 | -64.5 | 0 | 0 | 0 | 112.3 | E139 A142 R143 A298 K299 K304 K305 F306 I325 P327 | E139-Y302 HydrophobicContact CB-CE2 4.44Å; E139-Y302 WeakPolarHBondContact O-CE2 3.4Å; A142-Y302 HydrophobicContact CB-CD2 4.14Å; A142-Y302 HydrophobicContact CB-CE2 4.49Å; R143-Y302 HydrophobicContact CB-CD1 4.11Å; R143-Y302 HydrophobicContact CB-CD2 3.88Å; R143-Y302 HydrophobicContact CB-CE1 4.04Å; R143-Y302 HydrophobicContact CB-CE2 3.83Å; R143-Y302 HydrophobicContact CB-CG 4.05Å; R143-Y302 HydrophobicContact CG-CD1 3.97Å; R143-Y302 HydrophobicContact CG-CE1 3.96Å; R143-Y302 HydrophobicContact CG-CG 4.34Å; A298-Y302 HydrophobicContact CB-CE2 4.48Å; A298-Y302 WeakPolarHBondContact O-CD2 3.38Å; A298-Y302 PolarHBondContact O-N 2.93Å; K299-Y302 PolarHBondContact O-N 3.29Å; Y302-K304 PolarHBondContact O-N 2.96Å; Y302-K305 PolarHBondContact O-N 3.38Å; Y302-F306 HydrophobicContact CD1-CE2 4.24Å; Y302-F306 HydrophobicContact CG-CE2 4.43Å; Y302-F306 WeakPolarHBondContact O-CB 3.28Å; Y302-F306 WeakPolarHBondContact O-CD2 3.39Å; Y302-F306 WeakPolarHBondContact O-CG 3.43Å; Y302-F306 PolarHBondContact O-N 3.2Å; Y302-I325 HydrophobicContact CD1-CG2 4.03Å; Y302-I325 HydrophobicContact CE1-CG2 4.12Å; Y302-P327 WeakPolarHBondContact OH-CA 3.47Å |
| 303 | E | 91.8 | Very high | 89.9 | Confident | 66 Ų | 66 | 45.6 Ų | 45.6 | 31% | 0.308 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -58.6 | -46.2 | 174.5 | -75.2 | -179.4 | 138.6 | 0 | 0 | 111.7 | K299 N300 K305 F306 N307 | K299-E303 HydrophobicContact CG-CG 4.45Å; K299-E303 IonicContact NZ-OE1 3.46Å; K299-E303 PolarHBondContact NZ-OE1 3.16Å; K299-E303 IonicContact NZ-OE2 2.76Å; K299-E303 PolarHBondContact NZ-OE2 3.41Å; K299-E303 WeakPolarHBondContact O-CG 3.36Å; K299-E303 PolarHBondContact O-N 3.4Å; N300-E303 PolarHBondContact O-N 3.4Å; E303-K305 PolarHBondContact O-N 3.09Å; E303-F306 PolarHBondContact O-N 3.4Å; E303-N307 VanDerWaalsContact O-CB 3.31Å; E303-N307 WeakPolarHBondContact O-CB 3.39Å; E303-N307 PolarHBondContact O-N 2.98Å; E303-N307 PolarHBondContact O-ND2 2.98Å |
| 304 | K | 91.7 | Very high | 89.1 | Confident | 72 Ų | 72 | 51.2 Ų | 51.2 | 31% | 0.313 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -58.1 | -47.5 | 174.5 | -73.8 | 176 | 178.8 | 178.5 | 0 | 111.2 | N300 Y301 Y302 N307 Q308 D338 | N300-K304 WeakPolarHBondContact ND2-CE 3.45Å; N300-K304 WeakPolarHBondContact O-CG 3.17Å; N300-K304 PolarHBondContact O-N 3.36Å; Y301-K304 PolarHBondContact O-N 3.49Å; Y302-K304 PolarHBondContact O-N 2.96Å; K304-N307 PolarHBondContact O-N 3.34Å; K304-Q308 WeakPolarHBondContact O-CB 3.43Å; K304-Q308 WeakPolarHBondContact O-CG 3.4Å; K304-Q308 PolarHBondContact O-N 3.27Å; K304-D338 IonicContact NZ-OD2 2.76Å; K304-D338 PolarHBondContact NZ-OD2 2.97Å |
| 305 | K | 90.1 | Very high | 88.4 | Confident | 81 Ų | 81 | 54.6 Ų | 54.6 | 35% | 0.352 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62.7 | -44.9 | -179.5 | -72.3 | -67.1 | -174.4 | -175.5 | 0 | 112.4 | Y301 Y302 E303 Q309 I325 | Y301-K305 HydrophobicContact CD1-CG 4.24Å; Y301-K305 HydrophobicContact CE1-CG 3.84Å; Y301-K305 WeakPolarHBondContact O-CG 3.22Å; Y301-K305 PolarHBondContact O-N 2.99Å; Y301-K305 WeakPolarHBondContact OH-CE 3.41Å; Y302-K305 PolarHBondContact O-N 3.38Å; E303-K305 PolarHBondContact O-N 3.09Å; K305-Q309 WeakPolarHBondContact O-CB 3.48Å; K305-Q309 PolarHBondContact O-N 3.41Å; K305-I325 HydrophobicContact CB-CD1 3.92Å; K305-I325 HydrophobicContact CB-CG2 4.44Å |
| 306 | F | 88.8 | Confident | 87.6 | Confident | 1 Ų | 1 | 57.6 Ų | 57.6 | 0% | 0.004 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -68.6 | -38.7 | 179.9 | -71.1 | -49.2 | 0 | 0 | 0 | 112.5 | R143 S146 L147 Y302 E303 Q309 T310 V322 I325 | R143-F306 HydrophobicContact CG-CE2 4.17Å; R143-F306 HydrophobicContact CG-CZ 4Å; S146-F306 WeakPolarHBondContact O-CD2 3.36Å; L147-F306 HydrophobicContact CD2-CE1 4.12Å; L147-F306 HydrophobicContact CD2-CE2 4Å; L147-F306 HydrophobicContact CD2-CZ 3.6Å; Y302-F306 HydrophobicContact CD1-CE2 4.24Å; Y302-F306 HydrophobicContact CG-CE2 4.43Å; Y302-F306 WeakPolarHBondContact O-CB 3.28Å; Y302-F306 WeakPolarHBondContact O-CD2 3.39Å; Y302-F306 WeakPolarHBondContact O-CG 3.43Å; Y302-F306 PolarHBondContact O-N 3.2Å; E303-F306 PolarHBondContact O-N 3.4Å; F306-Q309 PolarHBondContact O-N 3.06Å; F306-T310 WeakPolarHBondContact O-CB 3.49Å; F306-T310 PolarHBondContact O-N 3.18Å; F306-T310 PolarHBondContact O-OG1 3.23Å; F306-V322 HydrophobicContact CD1-CG1 3.3Å; F306-V322 HydrophobicContact CE1-CG1 3.47Å; F306-V322 VanDerWaalsContact CE1-CG1 3.47Å; F306-V322 HydrophobicContact CG-CG1 4.43Å; F306-I325 HydrophobicContact CD1-CD1 3.39Å; F306-I325 HydrophobicContact CE1-CB 3.81Å; F306-I325 HydrophobicContact CE1-CD1 3.6Å; F306-I325 HydrophobicContact CE1-CG1 4.29Å; F306-I325 HydrophobicContact CE1-CG2 4.08Å; F306-I325 HydrophobicContact CG-CD1 4.29Å; F306-I325 HydrophobicContact CZ-CB 4.34Å; F306-I325 HydrophobicContact CZ-CG2 4.18Å |
| 307 | N | 87.4 | Confident | 86.5 | Confident | 94 Ų | 94 | 65.6 Ų | 65.6 | 50% | 0.503 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -64.4 | -48.2 | 174.9 | -69.8 | -17.2 | 0 | 0 | 0 | 111.3 | E303 K304 Q309 T310 E311 | E303-N307 VanDerWaalsContact O-CB 3.31Å; E303-N307 WeakPolarHBondContact O-CB 3.39Å; E303-N307 PolarHBondContact O-N 2.98Å; E303-N307 PolarHBondContact O-ND2 2.98Å; K304-N307 PolarHBondContact O-N 3.34Å; N307-Q309 VanDerWaalsContact C-N 3.33Å; N307-Q309 PolarHBondContact O-N 3.19Å; N307-T310 PolarHBondContact O-N 2.81Å; N307-T310 VanDerWaalsContact O-N 3.16Å; N307-E311 WeakPolarHBondContact O-CG 3.45Å; N307-E311 PolarHBondContact O-N 3.42Å |
| 308 | Q | 86.8 | Confident | 85.1 | Confident | 103 Ų | 103 | 63.8 Ų | 63.8 | 48% | 0.481 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -55.9 | -47.1 | 175.7 | -74.4 | 169.9 | -1 | 0 | 0 | 111.7 | K304 T310 E311 M312 | K304-Q308 WeakPolarHBondContact O-CB 3.43Å; K304-Q308 WeakPolarHBondContact O-CG 3.4Å; K304-Q308 PolarHBondContact O-N 3.27Å; Q308-T310 PolarHBondContact O-N 3.46Å; Q308-E311 PolarHBondContact O-N 2.99Å; Q308-M312 WeakPolarHBondContact O-CG 3.43Å; Q308-M312 PolarHBondContact O-N 3.22Å |
| 309 | Q | 82.1 | Confident | 83.7 | Confident | 27 Ų | 27 | 70.6 Ų | 70.6 | 13% | 0.126 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -64.6 | -40.7 | 178.8 | -171 | 62.7 | 27.7 | 0 | 0 | 111.9 | K305 F306 N307 M312 I313 S318 T320 V322 I325 | K305-Q309 WeakPolarHBondContact O-CB 3.48Å; K305-Q309 PolarHBondContact O-N 3.41Å; F306-Q309 PolarHBondContact O-N 3.06Å; N307-Q309 VanDerWaalsContact C-N 3.33Å; N307-Q309 PolarHBondContact O-N 3.19Å; Q309-M312 PolarHBondContact O-N 2.88Å; Q309-I313 HydrophobicContact CG-CD1 4.18Å; Q309-I313 VanDerWaalsContact O-CG1 3.3Å; Q309-I313 WeakPolarHBondContact O-CG1 3.37Å; Q309-I313 PolarHBondContact O-N 3.09Å; Q309-S318 PolarHBondContact NE2-OG 3.29Å; Q309-T320 PolarHBondContact NE2-O 3.13Å; Q309-V322 HydrophobicContact CG-CG2 4.11Å; Q309-I325 HydrophobicContact CB-CD1 4.13Å |
| 310 | T | 81.2 | Confident | 82 | Confident | 29 Ų | 29 | 72.3 Ų | 72.3 | 18% | 0.178 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -62.4 | -43.3 | 177.7 | -59.2 | 0 | 0 | 0 | 0 | 111.2 | F306 N307 Q308 I313 Q314 | F306-T310 WeakPolarHBondContact O-CB 3.49Å; F306-T310 PolarHBondContact O-N 3.18Å; F306-T310 PolarHBondContact O-OG1 3.23Å; N307-T310 PolarHBondContact O-N 2.81Å; N307-T310 VanDerWaalsContact O-N 3.16Å; Q308-T310 PolarHBondContact O-N 3.46Å; T310-I313 PolarHBondContact O-N 3.08Å; T310-Q314 HydrophobicContact CG2-CG 4.45Å; T310-Q314 WeakPolarHBondContact O-CB 3.47Å; T310-Q314 VanDerWaalsContact O-CG 3.31Å; T310-Q314 WeakPolarHBondContact O-CG 3.38Å; T310-Q314 PolarHBondContact O-N 3.37Å |
| 311 | E | 82.5 | Confident | 80.5 | Confident | 111 Ų | 111 | 74.1 Ų | 74.1 | 52% | 0.519 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -63.5 | -41.6 | 175.3 | -71.9 | 173.8 | -172.2 | 0 | 0 | 112.2 | N307 Q308 I313 Q314 N315 | N307-E311 WeakPolarHBondContact O-CG 3.45Å; N307-E311 PolarHBondContact O-N 3.42Å; Q308-E311 PolarHBondContact O-N 2.99Å; E311-I313 VanDerWaalsContact C-N 3.32Å; E311-I313 PolarHBondContact O-N 2.84Å; E311-Q314 PolarHBondContact O-N 3.26Å; E311-N315 WeakPolarHBondContact O-CB 3.32Å; E311-N315 PolarHBondContact O-N 2.99Å; E311-N315 PolarHBondContact O-ND2 3.49Å |
| 312 | M | 80.8 | Confident | 79.2 | Confident | 86 Ų | 86 | 73.7 Ų | 73.7 | 42% | 0.424 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -61.9 | -39.5 | 176.2 | -71 | -176.2 | 81 | 0 | 0 | 112.2 | Q308 Q309 G316 Y317 S318 | Q308-M312 WeakPolarHBondContact O-CG 3.43Å; Q308-M312 PolarHBondContact O-N 3.22Å; Q309-M312 PolarHBondContact O-N 2.88Å; M312-G316 PolarHBondContact O-N 3.25Å; M312-Y317 PolarHBondContact O-N 3.1Å; M312-S318 PolarHBondContact O-N 2.95Å; M312-S318 VanDerWaalsContact O-N 3.14Å |
| 313 | I | 77.3 | Confident | 77.6 | Confident | 67 Ų | 67 | 75.9 Ų | 75.9 | 34% | 0.344 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -68.4 | -48.1 | 176.6 | -66.1 | 165.9 | 0 | 0 | 0 | 110.6 | Q309 T310 E311 N315 G316 S318 T320 V322 | Q309-I313 HydrophobicContact CG-CD1 4.18Å; Q309-I313 VanDerWaalsContact O-CG1 3.3Å; Q309-I313 WeakPolarHBondContact O-CG1 3.37Å; Q309-I313 PolarHBondContact O-N 3.09Å; T310-I313 PolarHBondContact O-N 3.08Å; E311-I313 VanDerWaalsContact C-N 3.32Å; E311-I313 PolarHBondContact O-N 2.84Å; I313-N315 VanDerWaalsContact C-N 3.28Å; I313-N315 PolarHBondContact O-N 3.41Å; I313-G316 PolarHBondContact O-N 3.44Å; I313-S318 WeakPolarHBondContact CA-O 3.5Å; I313-T320 WeakPolarHBondContact CD1-O 3.46Å; I313-V322 HydrophobicContact CD1-CG2 3.99Å |
| 314 | Q | 78.6 | Confident | 76 | Confident | 146 Ų | 146 | 76.5 Ų | 76.5 | 68% | 0.682 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -61.4 | -35.9 | -178.7 | -75.5 | 177.7 | -3.3 | 0 | 0 | 112.7 | T310 E311 G316 | T310-Q314 HydrophobicContact CG2-CG 4.45Å; T310-Q314 WeakPolarHBondContact O-CB 3.47Å; T310-Q314 VanDerWaalsContact O-CG 3.31Å; T310-Q314 WeakPolarHBondContact O-CG 3.38Å; T310-Q314 PolarHBondContact O-N 3.37Å; E311-Q314 PolarHBondContact O-N 3.26Å; Q314-G316 VanDerWaalsContact C-N 3.28Å; Q314-G316 PolarHBondContact O-N 2.91Å |
| 315 | N | 82.4 | Confident | 74.6 | Confident | 107 Ų | 107 | 74.2 Ų | 74.2 | 57% | 0.572 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | 2 | 177.9 | -67.2 | -39 | 0 | 0 | 0 | 113.7 | E311 I313 Y317 | E311-N315 WeakPolarHBondContact O-CB 3.32Å; E311-N315 PolarHBondContact O-N 2.99Å; E311-N315 PolarHBondContact O-ND2 3.49Å; I313-N315 VanDerWaalsContact C-N 3.28Å; I313-N315 PolarHBondContact O-N 3.41Å; N315-Y317 VanDerWaalsContact C-N 3.25Å; N315-Y317 HydrophobicContact CB-CD2 3.36Å; N315-Y317 HydrophobicContact CB-CE2 3.46Å; N315-Y317 VanDerWaalsContact CB-CE2 3.46Å; N315-Y317 HydrophobicContact CB-CG 4.41Å; N315-Y317 PolarHBondContact O-N 2.98Å |
| 316 | G | 78.8 | Confident | 73.3 | Confident | 64 Ų | 64 | 74 Ų | 74 | 66% | 0.66 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.8 | 11.5 | -180 | 0 | 0 | 0 | 0 | 0 | 115 | M312 I313 Q314 S318 | M312-G316 PolarHBondContact O-N 3.25Å; I313-G316 PolarHBondContact O-N 3.44Å; Q314-G316 VanDerWaalsContact C-N 3.28Å; Q314-G316 PolarHBondContact O-N 2.91Å; G316-S318 VanDerWaalsContact C-N 3.35Å |
| 317 | Y | 73.1 | Confident | 71.8 | Confident | 186 Ų | 186 | 75.3 Ų | 75.3 | 73% | 0.729 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -80.6 | -14.6 | 177.6 | -64.7 | -59.9 | 0 | 0 | 0 | 113.4 | M312 N315 | M312-Y317 PolarHBondContact O-N 3.1Å; N315-Y317 VanDerWaalsContact C-N 3.25Å; N315-Y317 HydrophobicContact CB-CD2 3.36Å; N315-Y317 HydrophobicContact CB-CE2 3.46Å; N315-Y317 VanDerWaalsContact CB-CE2 3.46Å; N315-Y317 HydrophobicContact CB-CG 4.41Å; N315-Y317 PolarHBondContact O-N 2.98Å |
| 318 | S | 66.1 | Low | 70.4 | Confident | 19 Ų | 19 | 76.3 Ų | 76.3 | 13% | 0.133 | 42% | 0.415 | C | S | . | . | trans | -143.6 | 134.9 | 176.9 | -168.9 | 0 | 0 | 0 | 0 | 111.5 | Q309 M312 I313 G316 T320 | Q309-S318 PolarHBondContact NE2-OG 3.29Å; M312-S318 PolarHBondContact O-N 2.95Å; M312-S318 VanDerWaalsContact O-N 3.14Å; I313-S318 WeakPolarHBondContact CA-O 3.5Å; G316-S318 VanDerWaalsContact C-N 3.35Å; S318-T320 VanDerWaalsContact OG-CB 3.31Å; S318-T320 WeakPolarHBondContact OG-CB 3.42Å; S318-T320 PolarHBondContact OG-N 3.35Å; S318-T320 VanDerWaalsContact OG-N 3.12Å; S318-T320 PolarHBondContact OG-OG1 3.3Å | ||
| 319 | T | 64.4 | Low | 68.8 | Low | 143 Ų | 143 | 74.2 Ų | 74.2 | 88% | 0.877 | 41% | 0.412 | S | S | * | . | trans | -97.3 | -2.5 | 164.2 | 60.3 | 0 | 0 | 0 | 0 | 111.7 | P321 | T319-P321 WeakPolarHBondContact O-CD 3.49Š| ||
| 320 | T | 58.8 | Low | 67.6 | Low | 58 Ų | 58 | 77.1 Ų | 77.1 | 36% | 0.356 | 43% | 0.428 | S | S | . | . | S | Bend | trans | -70.3 | 119.9 | -179 | -50.7 | 0 | 0 | 0 | 0 | 108 | Q309 I313 S318 T324 | Q309-T320 PolarHBondContact NE2-O 3.13Å; I313-T320 WeakPolarHBondContact CD1-O 3.46Å; S318-T320 VanDerWaalsContact OG-CB 3.31Å; S318-T320 WeakPolarHBondContact OG-CB 3.42Å; S318-T320 PolarHBondContact OG-N 3.35Å; S318-T320 VanDerWaalsContact OG-N 3.12Å; S318-T320 PolarHBondContact OG-OG1 3.3Å; T320-T324 HydrophobicContact CG2-CG2 3.29Å |
| 321 | P | 61.8 | Low | 66.8 | Low | 69 Ų | 69 | 75.8 Ų | 75.8 | 45% | 0.448 | 42% | 0.42 | S | S | . | . | trans | -63.4 | 159.5 | -179.5 | -16.2 | 28.5 | 0 | 0 | 0 | 110.6 | T319 T323 T324 | T319-P321 WeakPolarHBondContact O-CD 3.49Å; P321-T323 HydrophobicContact CB-CG2 3.87Å; P321-T323 WeakPolarHBondContact CB-OG1 3.33Å; P321-T323 PolarHBondContact O-N 3.2Å; P321-T324 PolarHBondContact O-N 3.19Å | ||
| 322 | V | 65.5 | Low | 65.7 | Low | 18 Ų | 18 | 71.1 Ų | 71.1 | 11% | 0.109 | 40% | 0.399 | C | S | . | . | G | 310 helix | trans | -50.9 | -20.2 | 172 | 174.2 | 0 | 0 | 0 | 0 | 112.8 | P148 F306 Q309 I313 T324 I325 | P148-V322 HydrophobicContact CG-CG1 4.12Å; P148-V322 HydrophobicContact CG-CG2 4.38Å; F306-V322 HydrophobicContact CD1-CG1 3.3Å; F306-V322 HydrophobicContact CE1-CG1 3.47Å; F306-V322 VanDerWaalsContact CE1-CG1 3.47Å; F306-V322 HydrophobicContact CG-CG1 4.43Å; Q309-V322 HydrophobicContact CG-CG2 4.11Å; I313-V322 HydrophobicContact CD1-CG2 3.99Å; V322-T324 PolarHBondContact O-N 3.11Å; V322-I325 PolarHBondContact O-N 3.38Å |
| 323 | T | 59.9 | Low | 65.1 | Low | 46 Ų | 46 | 72.2 Ų | 72.2 | 28% | 0.282 | 40% | 0.402 | S | S | . | . | G | 310 helix | trans | -57.3 | -17.9 | -179.2 | 66.5 | 0 | 0 | 0 | 0 | 115.9 | E98 G100 P321 I325 | E98-T323 WeakPolarHBondContact O-CG2 3.39Å; G100-T323 VanDerWaalsContact CA-CB 3.43Å; P321-T323 HydrophobicContact CB-CG2 3.87Å; P321-T323 WeakPolarHBondContact CB-OG1 3.33Å; P321-T323 PolarHBondContact O-N 3.2Å; T323-I325 VanDerWaalsContact C-N 3.32Å; T323-I325 PolarHBondContact O-N 3.32Å |
| 324 | T | 57.2 | Low | 64.1 | Low | 79 Ų | 79 | 73.8 Ų | 73.8 | 49% | 0.485 | 41% | 0.408 | S | S | . | . | G | 310 helix | trans | -80.3 | -8.3 | -178.3 | 55.1 | 0 | 0 | 0 | 0 | 114.6 | T320 P321 V322 T326 | T320-T324 HydrophobicContact CG2-CG2 3.29Å; P321-T324 PolarHBondContact O-N 3.19Å; V322-T324 PolarHBondContact O-N 3.11Å; T324-T326 VanDerWaalsContact C-N 3.33Å; T324-T326 PolarHBondContact O-N 3.28Å |
| 325 | I | 62.7 | Low | 62.8 | Low | 24 Ų | 24 | 68.3 Ų | 68.3 | 12% | 0.123 | 38% | 0.384 | C | S | . | . | trans | -79.3 | 87.8 | 173.9 | -60.4 | 160.8 | 0 | 0 | 0 | 108 | R143 Y302 K305 F306 Q309 V322 T323 | R143-I325 PolarHBondContact NE-O 2.87Å; R143-I325 PolarHBondContact NH2-O 3.34Å; Y302-I325 HydrophobicContact CD1-CG2 4.03Å; Y302-I325 HydrophobicContact CE1-CG2 4.12Å; K305-I325 HydrophobicContact CB-CD1 3.92Å; K305-I325 HydrophobicContact CB-CG2 4.44Å; F306-I325 HydrophobicContact CD1-CD1 3.39Å; F306-I325 HydrophobicContact CE1-CB 3.81Å; F306-I325 HydrophobicContact CE1-CD1 3.6Å; F306-I325 HydrophobicContact CE1-CG1 4.29Å; F306-I325 HydrophobicContact CE1-CG2 4.08Å; F306-I325 HydrophobicContact CG-CD1 4.29Å; F306-I325 HydrophobicContact CZ-CB 4.34Å; F306-I325 HydrophobicContact CZ-CG2 4.18Å; Q309-I325 HydrophobicContact CB-CD1 4.13Å; V322-I325 PolarHBondContact O-N 3.38Å; T323-I325 VanDerWaalsContact C-N 3.32Å; T323-I325 PolarHBondContact O-N 3.32Å | ||
| 326 | T | 62.4 | Low | 60.9 | Low | 78 Ų | 78 | 67.5 Ų | 67.5 | 48% | 0.479 | 39% | 0.385 | S | S | . | . | trans | -76.1 | 152 | 172.9 | 51.7 | 0 | 0 | 0 | 0 | 110.6 | T324 H328 | T324-T326 VanDerWaalsContact C-N 3.33Å; T324-T326 PolarHBondContact O-N 3.28Å; T326-H328 PolarHBondContact O-N 2.98Å | ||
| 327 | P | 58.8 | Low | 59.2 | Low | 28 Ų | 28 | 71.4 Ų | 71.4 | 18% | 0.182 | 39% | 0.391 | C | S | . | . | trans | -54.7 | 116.4 | 167.9 | -19.5 | 31.2 | 0 | 0 | 0 | 109.1 | Q140 Y302 | Q140-P327 VanDerWaalsContact OE1-CG 3.26Å; Y302-P327 WeakPolarHBondContact OH-CA 3.47Å | ||
| 328 | H | 56.3 | Low | 58 | Low | 114 Ų | 114 | 66.9 Ų | 66.9 | 53% | 0.528 | 38% | 0.38 | S | S | . | . | trans | -107.6 | 112.4 | 172.8 | -102.2 | -55.9 | 0 | 0 | 0 | 107.3 | E139 T326 N330 C331 | E139-H328 VanDerWaalsContact OE2-O 3.1Å; T326-H328 PolarHBondContact O-N 2.98Å; H328-N330 PolarHBondContact O-N 3.19Å; H328-C331 PolarHBondContact O-N 3.26Å; H328-C331 VanDerWaalsContact O-N 3.09Å | ||
| 329 | S | 53.2 | Low | 56.9 | Low | 59 Ų | 59 | 72.1 Ų | 72.1 | 41% | 0.413 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | -0.1 | -175.7 | 67.7 | 0 | 0 | 0 | 0 | 116.8 | E139 | E139-S329 VanDerWaalsContact OE1-C 3.29Å; E139-S329 WeakPolarHBondContact OE2-CA 3.31Å; E139-S329 PolarHBondContact OE2-N 3.49Å |
| 330 | N | 58.2 | Low | 56 | Low | 89 Ų | 89 | 72.4 Ų | 72.4 | 48% | 0.476 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.8 | 7.1 | -174.2 | -68.7 | -8.2 | 0 | 0 | 0 | 112.7 | H328 I332 H333 Q334 | H328-N330 PolarHBondContact O-N 3.19Å; N330-I332 VanDerWaalsContact C-N 3.3Å; N330-I332 PolarHBondContact O-N 3.45Å; N330-H333 CarbonylContact O-C 3.59Å; N330-H333 WeakPolarHBondContact O-CA 3.26Å; N330-H333 PolarHBondContact O-N 3.35Å; N330-Q334 WeakPolarHBondContact O-CG 3.15Å; N330-Q334 PolarHBondContact O-N 3.11Å |
| 331 | C | 63.8 | Low | 55.3 | Low | 1 Ų | 1 | 75.1 Ų | 75.1 | 1% | 0.007 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -64.6 | -36.7 | -178.1 | 70.2 | 0 | 0 | 0 | 0 | 111.9 | E139 Y301 H328 H333 Q334 | E139-C331 PolarHBondContact OE1-N 2.76Å; E139-C331 PolarHBondContact OE1-SG 2.89Å; Y301-C331 HydrophobicContact CD1-CB 3.53Å; Y301-C331 HydrophobicContact CD2-CB 4.11Å; Y301-C331 HydrophobicContact CE1-CB 3.61Å; Y301-C331 HydrophobicContact CE2-CB 4.15Å; Y301-C331 HydrophobicContact CG-CB 3.8Å; H328-C331 PolarHBondContact O-N 3.26Å; H328-C331 VanDerWaalsContact O-N 3.09Å; C331-H333 PolarHBondContact O-N 3.11Å; C331-H333 VanDerWaalsContact O-N 3.12Å; C331-Q334 PolarHBondContact O-N 2.93Å; C331-Q334 VanDerWaalsContact O-N 3.15Å |
| 332 | I | 60.7 | Low | 54.5 | Low | 12 Ų | 12 | 76.4 Ų | 76.4 | 6% | 0.062 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -58.6 | -25.8 | 173.8 | -64.3 | 168.7 | 0 | 0 | 0 | 111.6 | E135 I138 E139 K294 A298 N330 | E135-I332 HydrophobicContact CB-CD1 4.35Å; E135-I332 HydrophobicContact CG-CD1 4.33Å; I138-I332 HydrophobicContact CG2-CD1 4.17Å; E139-I332 HydrophobicContact CG-CD1 3.61Å; E139-I332 HydrophobicContact CG-CG1 3.99Å; K294-I332 HydrophobicContact CB-CD1 4.16Å; K294-I332 HydrophobicContact CB-CG2 4.31Å; K294-I332 HydrophobicContact CD-CD1 4.41Å; K294-I332 HydrophobicContact CD-CG2 4.22Å; K294-I332 HydrophobicContact CG-CG2 3.92Å; A298-I332 HydrophobicContact CB-CG1 4.11Å; N330-I332 VanDerWaalsContact C-N 3.3Å; N330-I332 PolarHBondContact O-N 3.45Å |
| 333 | H | 66.9 | Low | 53.7 | Low | 109 Ų | 109 | 81.1 Ų | 81.1 | 51% | 0.505 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -99.9 | -15.2 | -180 | -59.9 | -62.2 | 0 | 0 | 0 | 114.4 | N330 C331 C336 | N330-H333 CarbonylContact O-C 3.59Å; N330-H333 WeakPolarHBondContact O-CA 3.26Å; N330-H333 PolarHBondContact O-N 3.35Å; C331-H333 PolarHBondContact O-N 3.11Å; C331-H333 VanDerWaalsContact O-N 3.12Å; H333-C336 PolarHBondContact O-SG 3.44Å |
| 334 | Q | 56.6 | Low | 53.4 | Low | 101 Ų | 101 | 81.6 Ų | 81.6 | 47% | 0.472 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -78.3 | -31.4 | -175.7 | -83.4 | 178.3 | -6.5 | 0 | 0 | 113.2 | Y301 N330 C331 C336 | Y301-Q334 PolarHBondContact OH-OE1 3.33Å; N330-Q334 WeakPolarHBondContact O-CG 3.15Å; N330-Q334 PolarHBondContact O-N 3.11Å; C331-Q334 PolarHBondContact O-N 2.93Å; C331-Q334 VanDerWaalsContact O-N 3.15Å; Q334-C336 PolarHBondContact O-N 2.98Å |
| 335 | D | 50.9 | Low | 53.2 | Low | 31 Ų | 31 | 84.1 Ų | 84.1 | 17% | 0.166 | 45% | 0.445 | C | S | . | . | G | 310 helix | trans | -80.9 | 4.3 | -177.6 | -82.2 | 4.5 | 0 | 0 | 0 | 113.8 | N337 D338 | D335-N337 PolarHBondContact O-N 3.47Å; D335-N337 VanDerWaalsContact O-N 3.14Å; D335-D338 PolarHBondContact O-N 3.45Å |
| 336 | C | 43.7 | Very low | 53.6 | Low | 89 Ų | 89 | 87 Ų | 87 | 60% | 0.601 | 46% | 0.461 | S | S | * | . | G | 310 helix | trans | -63.9 | -16.3 | 176.6 | -58 | 0 | 0 | 0 | 0 | 114 | H333 Q334 | H333-C336 PolarHBondContact O-SG 3.44Å; Q334-C336 PolarHBondContact O-N 2.98Å |
| 337 | N | 43.2 | Very low | 54.4 | Low | 146 Ų | 146 | 90.5 Ų | 90.5 | 78% | 0.781 | 47% | 0.472 | S | S | * | . | G | 310 helix | trans | -102.4 | -5.3 | -178 | -76.7 | -23.5 | 0 | 0 | 0 | 114.4 | D335 N339 | D335-N337 PolarHBondContact O-N 3.47Å; D335-N337 VanDerWaalsContact O-N 3.14Å; N337-N339 VanDerWaalsContact C-N 3.3Å; N337-N339 PolarHBondContact O-N 2.95Å |
| 338 | D | 47.1 | Very low | 55.8 | Low | 92 Ų | 92 | 91.5 Ų | 91.5 | 49% | 0.492 | 48% | 0.479 | S | S | . | . | trans | -83.8 | 74 | 179.5 | -119.4 | 9.4 | 0 | 0 | 0 | 109.5 | K304 D335 N340 | K304-D338 IonicContact NZ-OD2 2.76Å; K304-D338 PolarHBondContact NZ-OD2 2.97Å; D335-D338 PolarHBondContact O-N 3.45Å; D338-N340 PolarHBondContact O-N 3.38Å | ||
| 339 | N | 43.8 | Very low | 57.5 | Low | 129 Ų | 129 | 88.7 Ų | 88.7 | 69% | 0.69 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -2.3 | -177.6 | -88.8 | -26.3 | 0 | 0 | 0 | 115.7 | N337 | N337-N339 VanDerWaalsContact C-N 3.3Å; N337-N339 PolarHBondContact O-N 2.95Å |
| 340 | N | 44.6 | Very low | 59.5 | Low | 149 Ų | 149 | 87 Ų | 87 | 80% | 0.797 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.3 | 8.9 | -166.4 | -84 | -14.7 | 0 | 0 | 0 | 116.3 | D338 | D338-N340 PolarHBondContact O-N 3.38Š|
| 341 | N | 44 | Very low | 61.2 | Low | 115 Ų | 115 | 87.5 Ų | 87.5 | 62% | 0.615 | 45% | 0.454 | S | S | * | . | trans | -155.4 | 50.9 | 170.7 | -92.6 | -33.1 | 0 | 0 | 0 | 113.6 | N343 | N341-N343 PolarHBondContact O-N 3.13Š| ||
| 342 | N | 44.9 | Very low | 62.7 | Low | 95 Ų | 95 | 92.8 Ų | 92.8 | 51% | 0.508 | 48% | 0.477 | S | S | . | . | trans | -69.4 | 42.4 | 177.3 | -74.5 | -15.1 | 0 | 0 | 0 | 114.6 | W344 | N342-W344 VanDerWaalsContact C-N 3.28Š| ||
| 343 | N | 49.3 | Very low | 64.5 | Low | 118 Ų | 118 | 92.8 Ų | 92.8 | 63% | 0.631 | 48% | 0.476 | S | S | * | . | trans | -78 | -9.4 | 171.3 | -80.1 | -18.5 | 0 | 0 | 0 | 113.1 | N341 N346 | N341-N343 PolarHBondContact O-N 3.13Å; N343-N346 WeakPolarHBondContact O-CB 3.42Å; N343-N346 PolarHBondContact O-N 3.41Å | ||
| 344 | W | 52.6 | Low | 65.9 | Low | 55 Ų | 55 | 88.2 Ų | 88.2 | 21% | 0.208 | 46% | 0.455 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -18.1 | -176.7 | -48 | -39.5 | 0 | 0 | 0 | 114.2 | K297 N300 N342 N346 | K297-W344 HydrophobicContact CG-CE3 4.21Å; N300-W344 HydrophobicContact CB-CH2 4.34Å; N300-W344 HydrophobicContact CB-CZ2 3.97Å; N300-W344 WeakPolarHBondContact ND2-CH2 3.17Å; N300-W344 WeakPolarHBondContact ND2-CZ2 3.49Å; N342-W344 VanDerWaalsContact C-N 3.28Å; W344-N346 PolarHBondContact O-N 2.86Å |
| 345 | E | 54.4 | Low | 67.7 | Low | 132 Ų | 132 | 87 Ų | 87 | 62% | 0.617 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | 9.2 | 166.2 | -71.1 | -174.8 | 170.5 | 0 | 0 | 112.2 | E347 | E345-E347 VanDerWaalsContact C-N 3.31Å; E345-E347 PolarHBondContact O-N 3.27Å |
| 346 | N | 70.3 | Confident | 69.9 | Low | 86 Ų | 86 | 86.3 Ų | 86.3 | 46% | 0.46 | 45% | 0.447 | S | S | . | . | trans | -64.8 | 98.2 | 169 | -168.3 | -18.7 | 0 | 0 | 0 | 108.2 | N343 W344 S348 L349 L350 | N343-N346 WeakPolarHBondContact O-CB 3.42Å; N343-N346 PolarHBondContact O-N 3.41Å; W344-N346 PolarHBondContact O-N 2.86Å; N346-S348 PolarHBondContact O-N 3.03Å; N346-S348 WeakPolarHBondContact OD1-CB 3.43Å; N346-S348 PolarHBondContact OD1-N 3.21Å; N346-S348 VanDerWaalsContact OD1-N 3.16Å; N346-L349 HydrophobicContact CB-CB 4.37Å; N346-L349 WeakPolarHBondContact O-CB 3.09Å; N346-L349 PolarHBondContact O-N 2.96Å; N346-L350 PolarHBondContact O-N 3.26Å | ||
| 347 | E | 78.4 | Confident | 72.5 | Confident | 151 Ų | 151 | 82 Ų | 82 | 71% | 0.706 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -46.1 | -35.4 | 176.7 | -67.1 | 177.9 | 160.3 | 0 | 0 | 110.8 | E345 L349 L350 E351 | E345-E347 VanDerWaalsContact C-N 3.31Å; E345-E347 PolarHBondContact O-N 3.27Å; E347-L349 PolarHBondContact O-N 3.35Å; E347-L350 PolarHBondContact O-N 3.17Å; E347-E351 WeakPolarHBondContact O-CB 3.45Å; E347-E351 VanDerWaalsContact O-CG 3.31Å; E347-E351 WeakPolarHBondContact O-CG 3.48Å; E347-E351 PolarHBondContact O-N 3.46Å |
| 348 | S | 88.7 | Confident | 75.1 | Confident | 48 Ų | 48 | 75.9 Ų | 75.9 | 34% | 0.336 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -62 | -35.8 | 175.5 | -170.5 | 0 | 0 | 0 | 0 | 114.2 | N346 K352 | N346-S348 PolarHBondContact O-N 3.03Å; N346-S348 WeakPolarHBondContact OD1-CB 3.43Å; N346-S348 PolarHBondContact OD1-N 3.21Å; N346-S348 VanDerWaalsContact OD1-N 3.16Å; S348-K352 WeakPolarHBondContact O-CD 3.48Å; S348-K352 WeakPolarHBondContact O-CG 3.5Å; S348-K352 PolarHBondContact O-N 3.06Å |
| 349 | L | 92.6 | Very high | 77.5 | Confident | 56 Ų | 56 | 72.5 Ų | 72.5 | 29% | 0.293 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -71.9 | -44.7 | 176.8 | -178.6 | 62.1 | 0 | 0 | 0 | 110.8 | I223 L296 N346 E347 E351 K352 W353 | I223-L349 HydrophobicContact CD1-CD1 4.01Å; L296-L349 HydrophobicContact CD1-CD2 4.47Å; N346-L349 HydrophobicContact CB-CB 4.37Å; N346-L349 WeakPolarHBondContact O-CB 3.09Å; N346-L349 PolarHBondContact O-N 2.96Å; E347-L349 PolarHBondContact O-N 3.35Å; L349-E351 VanDerWaalsContact C-N 3.33Å; L349-E351 PolarHBondContact O-N 3.49Å; L349-K352 PolarHBondContact O-N 2.72Å; L349-W353 PolarHBondContact O-N 3.14Å |
| 350 | L | 95.2 | Very high | 80.1 | Confident | 23 Ų | 23 | 66.4 Ų | 66.4 | 12% | 0.12 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.1 | -41.9 | 178.7 | -68 | 178.2 | 0 | 0 | 0 | 111.4 | L289 I292 L296 N346 E347 W353 L354 | L289-L350 HydrophobicContact CD2-CB 4.02Å; I292-L350 HydrophobicContact CG2-CD2 3.93Å; L296-L350 HydrophobicContact CD1-CD2 3.87Å; N346-L350 PolarHBondContact O-N 3.26Å; E347-L350 PolarHBondContact O-N 3.17Å; L350-W353 PolarHBondContact O-N 3.1Å; L350-L354 WeakPolarHBondContact O-CB 3.44Å; L350-L354 PolarHBondContact O-N 3.48Å |
| 351 | E | 94.2 | Very high | 82.7 | Confident | 100 Ų | 100 | 59.3 Ų | 59.3 | 47% | 0.467 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -61.7 | -42.7 | 175 | -75.7 | 177.6 | 166.9 | 0 | 0 | 112.5 | E347 L349 L354 I355 | E347-E351 WeakPolarHBondContact O-CB 3.45Å; E347-E351 VanDerWaalsContact O-CG 3.31Å; E347-E351 WeakPolarHBondContact O-CG 3.48Å; E347-E351 PolarHBondContact O-N 3.46Å; L349-E351 VanDerWaalsContact C-N 3.33Å; L349-E351 PolarHBondContact O-N 3.49Å; E351-L354 WeakPolarHBondContact O-CB 3.17Å; E351-L354 PolarHBondContact O-N 2.84Å; E351-I355 WeakPolarHBondContact O-CG1 2.95Å; E351-I355 PolarHBondContact O-N 2.84Å |
| 352 | K | 95 | Very high | 85.3 | Confident | 111 Ų | 111 | 53.9 Ų | 53.9 | 48% | 0.483 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64.4 | -42.5 | 176.6 | -70.4 | 167.4 | -174.9 | 172 | 0 | 111.9 | I223 S348 L349 L354 I355 E356 | I223-K352 HydrophobicContact CD1-CB 3.42Å; I223-K352 VanDerWaalsContact CD1-CB 3.42Å; S348-K352 WeakPolarHBondContact O-CD 3.48Å; S348-K352 WeakPolarHBondContact O-CG 3.5Å; S348-K352 PolarHBondContact O-N 3.06Å; L349-K352 PolarHBondContact O-N 2.72Å; K352-L354 VanDerWaalsContact C-N 3.35Å; K352-I355 PolarHBondContact O-N 3.29Å; K352-E356 WeakPolarHBondContact O-CB 3.33Å; K352-E356 PolarHBondContact O-N 2.92Å |
| 353 | W | 97.3 | Very high | 87.8 | Confident | 12 Ų | 12 | 49.3 Ų | 49.3 | 5% | 0.045 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.8 | -41.6 | 174.9 | -90.6 | 81.5 | 0 | 0 | 0 | 111.2 | I223 A260 A261 I264 I292 Y295 L296 L349 L350 I355 E356 V357 | I223-W353 HydrophobicContact CD1-CG 4Å; A260-W353 HydrophobicContact CB-CH2 4.11Å; A260-W353 HydrophobicContact CB-CZ3 4.43Å; A261-W353 HydrophobicContact CB-CE3 4.35Å; A261-W353 HydrophobicContact CB-CZ3 4.22Å; I264-W353 HydrophobicContact CD1-CE3 4.21Å; I264-W353 HydrophobicContact CD1-CZ3 3.8Å; I292-W353 HydrophobicContact CD1-CB 4.47Å; I292-W353 HydrophobicContact CG2-CB 3.66Å; I292-W353 HydrophobicContact CG2-CG 4.21Å; Y295-W353 HydrophobicContact CD1-CZ3 4.28Å; Y295-W353 AromaticContact CE1-CH2 3.78Å; Y295-W353 HydrophobicContact CE1-CH2 3.78Å; Y295-W353 AromaticContact CE1-CZ3 3.75Å; Y295-W353 HydrophobicContact CE1-CZ3 3.75Å; L296-W353 HydrophobicContact CD1-CG 4.45Å; L296-W353 HydrophobicContact CD2-CD2 4.19Å; L296-W353 HydrophobicContact CD2-CH2 4.11Å; L296-W353 HydrophobicContact CD2-CZ2 3.68Å; L349-W353 PolarHBondContact O-N 3.14Å; L350-W353 PolarHBondContact O-N 3.1Å; W353-I355 PolarHBondContact O-N 3.25Å; W353-E356 PolarHBondContact O-N 2.92Å; W353-V357 HydrophobicContact CE3-CG2 4.36Å; W353-V357 VanDerWaalsContact O-CB 3.3Å; W353-V357 WeakPolarHBondContact O-CB 3.43Å; W353-V357 WeakPolarHBondContact O-CG2 3.32Å; W353-V357 PolarHBondContact O-N 3.36Å |
| 354 | L | 97.1 | Very high | 90.2 | Very high | 14 Ų | 14 | 43.7 Ų | 43.7 | 7% | 0.073 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -57.6 | -48.8 | 176.6 | 177.3 | 73.1 | 0 | 0 | 0 | 111.4 | K285 Q288 L289 I292 L350 E351 K352 N358 | K285-L354 HydrophobicContact CD-CD2 4.11Å; K285-L354 HydrophobicContact CG-CD2 3.81Å; Q288-L354 HydrophobicContact CB-CD1 3.57Å; Q288-L354 HydrophobicContact CG-CD1 4.43Å; L289-L354 HydrophobicContact CD1-CD2 4.44Å; L289-L354 HydrophobicContact CD2-CB 4.11Å; L289-L354 HydrophobicContact CD2-CD2 4.04Å; L289-L354 HydrophobicContact CD2-CG 4.45Å; L289-L354 HydrophobicContact CG-CD1 4.36Å; L289-L354 HydrophobicContact CG-CD2 4.14Å; I292-L354 HydrophobicContact CD1-CB 4.21Å; I292-L354 HydrophobicContact CD1-CD1 4.26Å; L350-L354 WeakPolarHBondContact O-CB 3.44Å; L350-L354 PolarHBondContact O-N 3.48Å; E351-L354 WeakPolarHBondContact O-CB 3.17Å; E351-L354 PolarHBondContact O-N 2.84Å; K352-L354 VanDerWaalsContact C-N 3.35Å; L354-N358 PolarHBondContact O-N 3.3Å; L354-N358 PolarHBondContact O-ND2 3.16Å |
| 355 | I | 95.6 | Very high | 92.4 | Very high | 76 Ų | 76 | 41.1 Ų | 41.1 | 39% | 0.39 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -59.6 | -49 | 177.8 | -68.4 | 164.9 | 0 | 0 | 0 | 110.1 | E351 K352 W353 N358 H359 | E351-I355 WeakPolarHBondContact O-CG1 2.95Å; E351-I355 PolarHBondContact O-N 2.84Å; K352-I355 PolarHBondContact O-N 3.29Å; W353-I355 PolarHBondContact O-N 3.25Å; I355-N358 PolarHBondContact O-N 3.39Å; I355-H359 WeakPolarHBondContact CG2-CE1 3.4Å; I355-H359 PolarHBondContact O-N 3.25Å |
| 356 | E | 96.6 | Very high | 94.5 | Very high | 15 Ų | 15 | 34.9 Ų | 34.9 | 7% | 0.07 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.2 | -43.9 | -178 | -177.8 | 170.8 | -77.5 | 0 | 0 | 113.2 | L219 P222 I223 S224 A261 K352 W353 N358 H359 F360 | L219-E356 HydrophobicContact CD2-CG 4.27Å; P222-E356 VanDerWaalsContact C-OE1 3.27Å; P222-E356 WeakPolarHBondContact CA-OE1 3.24Å; P222-E356 WeakPolarHBondContact CB-OE1 3.31Å; I223-E356 PolarHBondContact N-OE1 3.24Å; S224-E356 WeakPolarHBondContact CA-OE2 3.32Å; S224-E356 WeakPolarHBondContact CB-OE2 3.27Å; S224-E356 PolarHBondContact N-OE2 3.29Å; S224-E356 PolarHBondContact OG-OE2 3.3Å; A261-E356 HydrophobicContact CB-CG 4.01Å; K352-E356 WeakPolarHBondContact O-CB 3.33Å; K352-E356 PolarHBondContact O-N 2.92Å; W353-E356 PolarHBondContact O-N 2.92Å; E356-N358 VanDerWaalsContact C-N 3.28Å; E356-N358 PolarHBondContact O-N 3.18Å; E356-H359 WeakPolarHBondContact O-CB 3.32Å; E356-H359 PolarHBondContact O-N 2.87Å; E356-H359 VanDerWaalsContact O-N 3.13Å; E356-F360 HydrophobicContact CG-CD2 3.68Å; E356-F360 HydrophobicContact CG-CE2 3.56Å; E356-F360 WeakPolarHBondContact O-CD2 3.39Å; E356-F360 PolarHBondContact O-N 3.02Å |
| 357 | V | 98.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -57.6 | -42.6 | 176.2 | 164.7 | 0 | 0 | 0 | 0 | 110.7 | A261 I264 F268 I292 W353 F360 A361 | A261-V357 HydrophobicContact CB-CG2 3.79Å; I264-V357 HydrophobicContact CB-CG1 4.29Å; I264-V357 HydrophobicContact CB-CG2 4.12Å; I264-V357 HydrophobicContact CD1-CG2 4.37Å; I264-V357 HydrophobicContact CG2-CG1 3.81Å; I264-V357 HydrophobicContact CG2-CG2 4.02Å; F268-V357 HydrophobicContact CD2-CG1 3.76Å; F268-V357 HydrophobicContact CE2-CG1 3.63Å; I292-V357 HydrophobicContact CD1-CB 4.37Å; I292-V357 HydrophobicContact CD1-CG2 4.08Å; I292-V357 HydrophobicContact CG1-CG2 4.42Å; W353-V357 HydrophobicContact CE3-CG2 4.36Å; W353-V357 VanDerWaalsContact O-CB 3.3Å; W353-V357 WeakPolarHBondContact O-CB 3.43Å; W353-V357 WeakPolarHBondContact O-CG2 3.32Å; W353-V357 PolarHBondContact O-N 3.36Å; V357-F360 CarbonylContact O-C 3.48Å; V357-F360 PolarHBondContact O-N 3.13Å; V357-A361 PolarHBondContact O-N 3.4Å |
| 358 | N | 97.9 | Very high | 96.7 | Very high | 16 Ų | 16 | 24.3 Ų | 24.3 | 9% | 0.086 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -70.8 | -32.8 | 177 | -76.2 | -75.7 | 0 | 0 | 0 | 112.9 | Y282 Q288 L354 I355 E356 F360 A361 L362 M399 L403 | Y282-N358 WeakPolarHBondContact CE1-OD1 3.48Å; Y282-N358 PolarHBondContact OH-OD1 2.82Å; Q288-N358 PolarHBondContact OE1-ND2 3.29Å; Q288-N358 PolarHBondContact OE1-OD1 2.89Å; L354-N358 PolarHBondContact O-N 3.3Å; L354-N358 PolarHBondContact O-ND2 3.16Å; I355-N358 PolarHBondContact O-N 3.39Å; E356-N358 VanDerWaalsContact C-N 3.28Å; E356-N358 PolarHBondContact O-N 3.18Å; N358-F360 VanDerWaalsContact C-N 3.33Å; N358-A361 WeakPolarHBondContact O-CB 3.43Å; N358-A361 PolarHBondContact O-N 3.49Å; N358-L362 PolarHBondContact O-N 3.18Å; N358-L362 VanDerWaalsContact O-N 3.16Å; N358-M399 HydrophobicContact CB-CE 3.9Å; N358-M399 WeakPolarHBondContact O-CE 3.39Å; N358-M399 WeakPolarHBondContact OD1-CE 3.31Å; N358-L403 HydrophobicContact CB-CD1 4.13Å; N358-L403 HydrophobicContact CB-CD2 4.25Å |
| 359 | H | 97.3 | Very high | 97.2 | Very high | 21 Ų | 21 | 22 Ų | 22 | 10% | 0.097 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -66.7 | -34.9 | 170.3 | -66.3 | 163.9 | 0 | 0 | 0 | 112.4 | L218 L219 I355 E356 L362 S363 | L218-H359 HydrophobicContact CD2-CB 4.07Å; L218-H359 HydrophobicContact CG-CB 4.47Å; L219-H359 HydrophobicContact CD2-CB 3.72Å; L219-H359 HydrophobicContact CG-CB 4.23Å; I355-H359 WeakPolarHBondContact CG2-CE1 3.4Å; I355-H359 PolarHBondContact O-N 3.25Å; E356-H359 WeakPolarHBondContact O-CB 3.32Å; E356-H359 PolarHBondContact O-N 2.87Å; E356-H359 VanDerWaalsContact O-N 3.13Å; H359-L362 WeakPolarHBondContact O-CB 3.2Å; H359-S363 PolarHBondContact O-N 3.31Å; H359-S363 PolarHBondContact O-OG 3.46Å |
| 360 | F | 98.4 | Very high | 97.4 | Very high | 1 Ų | 1 | 19.3 Ų | 19.3 | 0% | 0.004 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -74.9 | -29.5 | 172.4 | -80.2 | -65.3 | 0 | 0 | 0 | 113.2 | L173 L219 P222 H259 A261 F262 E356 V357 N358 L362 S363 A364 | L173-F360 HydrophobicContact CD2-CD1 3.87Å; L173-F360 HydrophobicContact CD2-CE1 3.9Å; L219-F360 HydrophobicContact CB-CZ 4.47Å; L219-F360 HydrophobicContact CD1-CD1 3.7Å; L219-F360 HydrophobicContact CD1-CE1 3.63Å; L219-F360 HydrophobicContact CD1-CG 4.23Å; L219-F360 HydrophobicContact CD1-CZ 4.1Å; L219-F360 HydrophobicContact CD2-CD1 4.4Å; L219-F360 HydrophobicContact CD2-CD2 3.92Å; L219-F360 HydrophobicContact CD2-CE1 4.16Å; L219-F360 HydrophobicContact CD2-CE2 3.66Å; L219-F360 HydrophobicContact CD2-CG 4.29Å; L219-F360 HydrophobicContact CD2-CZ 3.78Å; L219-F360 HydrophobicContact CG-CE1 4.35Å; L219-F360 HydrophobicContact CG-CZ 4.34Å; P222-F360 HydrophobicContact CB-CE2 4.36Å; P222-F360 HydrophobicContact CB-CZ 4.4Å; H259-F360 HydrophobicContact CB-CE1 4.05Å; H259-F360 HydrophobicContact CB-CE2 3.72Å; H259-F360 HydrophobicContact CB-CZ 3.4Å; H259-F360 AromaticContact CD2-CZ 3.66Å; H259-F360 AromaticContact CG-CZ 3.53Å; A261-F360 HydrophobicContact CB-CD2 3.56Å; A261-F360 HydrophobicContact CB-CE2 3.95Å; F262-F360 HydrophobicContact CB-CB 4.31Å; F262-F360 HydrophobicContact CB-CD1 3.93Å; F262-F360 HydrophobicContact CB-CE1 4.47Å; F262-F360 HydrophobicContact CB-CG 4.14Å; F262-F360 HydrophobicContact CD2-CB 4.32Å; F262-F360 HydrophobicContact CD2-CD1 4.04Å; F262-F360 HydrophobicContact CG-CD1 4.49Å; E356-F360 HydrophobicContact CG-CD2 3.68Å; E356-F360 HydrophobicContact CG-CE2 3.56Å; E356-F360 WeakPolarHBondContact O-CD2 3.39Å; E356-F360 PolarHBondContact O-N 3.02Å; V357-F360 CarbonylContact O-C 3.48Å; V357-F360 PolarHBondContact O-N 3.13Å; N358-F360 VanDerWaalsContact C-N 3.33Å; F360-L362 VanDerWaalsContact C-N 3.31Å; F360-L362 PolarHBondContact O-N 3.37Å; F360-S363 CarbonylContact O-C 3.56Å; F360-S363 WeakPolarHBondContact O-CA 3.47Å; F360-S363 VanDerWaalsContact O-CB 3.29Å; F360-S363 WeakPolarHBondContact O-CB 3.23Å; F360-S363 PolarHBondContact O-N 2.83Å; F360-A364 PolarHBondContact O-N 2.87Å |
| 361 | A | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -60.8 | -39.1 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y282 V357 N358 S363 A364 H365 M399 | Y282-A361 HydrophobicContact CE2-CB 4.21Å; Y282-A361 VanDerWaalsContact OH-CB 3.23Å; Y282-A361 WeakPolarHBondContact OH-CB 3.47Å; V357-A361 PolarHBondContact O-N 3.4Å; N358-A361 WeakPolarHBondContact O-CB 3.43Å; N358-A361 PolarHBondContact O-N 3.49Å; A361-S363 VanDerWaalsContact C-N 3.31Å; A361-S363 PolarHBondContact O-N 2.87Å; A361-A364 WeakPolarHBondContact O-CB 3.23Å; A361-A364 PolarHBondContact O-N 3.36Å; A361-H365 PolarHBondContact O-CD2 3.32Å; A361-H365 VanDerWaalsContact O-CD2 3.27Å; A361-H365 PolarHBondContact O-N 2.88Å; A361-M399 HydrophobicContact CB-CE 3.71Å; A361-M399 HydrophobicContact CB-SD 4.19Å |
| 362 | L | 98.1 | Very high | 97.5 | Very high | 1 Ų | 1 | 14.3 Ų | 14.3 | 1% | 0.005 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -55.6 | -48 | 166.9 | -67.5 | 178.3 | 0 | 0 | 0 | 111.3 | L215 N358 H359 F360 A364 H365 L366 Y396 M399 K400 L403 | L215-L362 HydrophobicContact CD2-CB 3.95Å; L215-L362 HydrophobicContact CD2-CD1 4.27Å; N358-L362 PolarHBondContact O-N 3.18Å; N358-L362 VanDerWaalsContact O-N 3.16Å; H359-L362 WeakPolarHBondContact O-CB 3.2Å; F360-L362 VanDerWaalsContact C-N 3.31Å; F360-L362 PolarHBondContact O-N 3.37Å; L362-A364 VanDerWaalsContact C-N 3.26Å; L362-A364 PolarHBondContact O-N 3.04Å; L362-H365 PolarHBondContact O-N 3.32Å; L362-L366 PolarHBondContact O-N 3.16Å; L362-Y396 HydrophobicContact CB-CD2 3.91Å; L362-Y396 HydrophobicContact CB-CE2 3.79Å; L362-Y396 HydrophobicContact CD2-CD2 4.08Å; L362-Y396 HydrophobicContact CD2-CE2 4.35Å; L362-Y396 WeakPolarHBondContact CD2-O 3.46Å; L362-Y396 WeakPolarHBondContact O-CD2 3.42Å; L362-M399 HydrophobicContact CD2-CB 3.58Å; L362-M399 HydrophobicContact CD2-CG 3.57Å; L362-M399 HydrophobicContact CD2-SD 3.81Å; L362-M399 HydrophobicContact CG-CG 4.37Å; L362-M399 HydrophobicContact CG-SD 4.28Å; L362-K400 HydrophobicContact CD1-CB 4.38Å; L362-K400 HydrophobicContact CD2-CB 4.06Å; L362-L403 HydrophobicContact CD1-CD1 3.88Å; L362-L403 HydrophobicContact CD2-CD1 4.42Å; L362-L403 HydrophobicContact CG-CD1 4.02Å |
| 363 | S | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -61.9 | -35.3 | 179.2 | -53.6 | 0 | 0 | 0 | 0 | 112.1 | L219 H359 F360 A361 L366 F367 | L219-S363 WeakPolarHBondContact CD1-OG 3.4Å; H359-S363 PolarHBondContact O-N 3.31Å; H359-S363 PolarHBondContact O-OG 3.46Å; F360-S363 CarbonylContact O-C 3.56Å; F360-S363 WeakPolarHBondContact O-CA 3.47Å; F360-S363 VanDerWaalsContact O-CB 3.29Å; F360-S363 WeakPolarHBondContact O-CB 3.23Å; F360-S363 PolarHBondContact O-N 2.83Å; A361-S363 VanDerWaalsContact C-N 3.31Å; A361-S363 PolarHBondContact O-N 2.87Å; S363-L366 PolarHBondContact O-N 3.35Å; S363-F367 VanDerWaalsContact O-CB 3.25Å; S363-F367 WeakPolarHBondContact O-CB 3.29Å; S363-F367 PolarHBondContact O-N 2.74Å |
| 364 | A | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 8.6 Ų | 8.6 | 0% | 0 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -67.4 | -39 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | F262 N266 F360 A361 L362 F367 W368 R392 | F262-A364 HydrophobicContact CE2-CB 3.95Å; F262-A364 HydrophobicContact CZ-CB 4.33Å; N266-A364 HydrophobicContact CB-CB 3.96Å; N266-A364 WeakPolarHBondContact OD1-CB 3.4Å; F360-A364 PolarHBondContact O-N 2.87Å; A361-A364 WeakPolarHBondContact O-CB 3.23Å; A361-A364 PolarHBondContact O-N 3.36Å; L362-A364 VanDerWaalsContact C-N 3.26Å; L362-A364 PolarHBondContact O-N 3.04Å; A364-F367 PolarHBondContact O-N 2.64Å; A364-W368 PolarHBondContact O-N 2.99Å; A364-R392 PolarHBondContact O-NH2 2.6Å |
| 365 | H | 98.7 | Very high | 97.2 | Very high | 1 Ų | 1 | 8 Ų | 8 | 1% | 0.005 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -61.7 | -44.2 | 171.9 | -76.3 | -59.1 | 0 | 0 | 0 | 112.1 | C269 F279 A361 L362 G369 R392 Q395 | C269-H365 PolarHBondContact SG-NE2 3.38Å; C269-H365 VanDerWaalsContact SG-NE2 3.38Å; F279-H365 AromaticContact CE1-CE1 3.88Å; A361-H365 PolarHBondContact O-CD2 3.32Å; A361-H365 VanDerWaalsContact O-CD2 3.27Å; A361-H365 PolarHBondContact O-N 2.88Å; L362-H365 PolarHBondContact O-N 3.32Å; H365-G369 WeakPolarHBondContact O-CA 3.45Å; H365-G369 PolarHBondContact O-N 3.46Å; H365-R392 PolarHBondContact ND1-NE 3.47Å; H365-R392 VanDerWaalsContact ND1-NE 3.13Å; H365-Q395 WeakPolarHBondContact CE1-CG 3.29Å; H365-Q395 WeakPolarHBondContact NE2-CG 3.48Å |
| 366 | L | 98.5 | Very high | 97.1 | Very high | 1 Ų | 1 | 4.4 Ų | 4.4 | 1% | 0.005 | 2% | 0.02 | C | C | . | . | H | α-helix | trans | -64.1 | -45.8 | 175.8 | -175.2 | 62.5 | 0 | 0 | 0 | 111.8 | I177 L208 E211 V212 L215 L362 S363 G369 V370 I393 Y396 | I177-L366 HydrophobicContact CG2-CD2 4.31Å; I177-L366 HydrophobicContact CG2-CG 4.28Å; L208-L366 HydrophobicContact CD2-CD1 3.73Å; E211-L366 HydrophobicContact CB-CD2 4.46Å; V212-L366 HydrophobicContact CG2-CD2 3.7Å; L215-L366 HydrophobicContact CD1-CB 4.46Å; L215-L366 HydrophobicContact CD1-CD2 3.6Å; L362-L366 PolarHBondContact O-N 3.16Å; S363-L366 PolarHBondContact O-N 3.35Å; L366-G369 PolarHBondContact O-N 2.89Å; L366-V370 HydrophobicContact CD1-CG2 4.2Å; L366-V370 WeakPolarHBondContact O-CB 3.39Å; L366-V370 VanDerWaalsContact O-CG2 3.29Å; L366-V370 WeakPolarHBondContact O-CG2 3.29Å; L366-V370 PolarHBondContact O-N 3.3Å; L366-I393 HydrophobicContact CD1-CD1 3.7Å; L366-Y396 HydrophobicContact CB-CD2 4.26Å; L366-Y396 HydrophobicContact CB-CE2 4.4Å |
| 367 | F | 98.5 | Very high | 96.7 | Very high | 7 Ų | 7 | 6.5 Ų | 6.5 | 3% | 0.031 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -56.4 | -55.5 | 179.5 | -174.8 | -89.1 | 0 | 0 | 0 | 111.7 | L173 T176 I177 W180 Y254 S363 A364 W371 | L173-F367 HydrophobicContact CD1-CB 4.44Å; L173-F367 HydrophobicContact CD1-CD2 3.68Å; L173-F367 HydrophobicContact CD1-CE2 4.29Å; L173-F367 HydrophobicContact CD1-CG 4.35Å; T176-F367 HydrophobicContact CG2-CE2 3.7Å; T176-F367 HydrophobicContact CG2-CZ 4.18Å; I177-F367 HydrophobicContact CD1-CB 4.12Å; I177-F367 HydrophobicContact CD1-CD2 4.13Å; I177-F367 HydrophobicContact CG1-CB 4.19Å; I177-F367 HydrophobicContact CG1-CD2 3.59Å; I177-F367 HydrophobicContact CG1-CE2 4.49Å; I177-F367 HydrophobicContact CG1-CG 4.33Å; W180-F367 HydrophobicContact CE3-CD2 4.46Å; W180-F367 HydrophobicContact CE3-CE2 4.31Å; W180-F367 HydrophobicContact CE3-CZ 4.4Å; W180-F367 HydrophobicContact CH2-CD1 4.23Å; W180-F367 AromaticContact CH2-CE1 3.41Å; W180-F367 HydrophobicContact CH2-CE1 3.41Å; W180-F367 VanDerWaalsContact CH2-CE1 3.41Å; W180-F367 AromaticContact CH2-CE2 3.8Å; W180-F367 HydrophobicContact CH2-CE2 3.8Å; W180-F367 AromaticContact CH2-CZ 3.16Å; W180-F367 HydrophobicContact CH2-CZ 3.16Å; W180-F367 HydrophobicContact CZ2-CZ 4.13Å; W180-F367 AromaticContact CZ3-CD1 3.72Å; W180-F367 HydrophobicContact CZ3-CD1 3.72Å; W180-F367 AromaticContact CZ3-CD2 3.92Å; W180-F367 HydrophobicContact CZ3-CD2 3.92Å; W180-F367 AromaticContact CZ3-CE1 3.38Å; W180-F367 HydrophobicContact CZ3-CE1 3.38Å; W180-F367 AromaticContact CZ3-CE2 3.6Å; W180-F367 HydrophobicContact CZ3-CE2 3.6Å; W180-F367 AromaticContact CZ3-CG 3.98Å; W180-F367 HydrophobicContact CZ3-CG 3.98Å; W180-F367 AromaticContact CZ3-CZ 3.32Å; W180-F367 HydrophobicContact CZ3-CZ 3.32Å; Y254-F367 HydrophobicContact CD1-CZ 4.44Å; S363-F367 VanDerWaalsContact O-CB 3.25Å; S363-F367 WeakPolarHBondContact O-CB 3.29Å; S363-F367 PolarHBondContact O-N 2.74Å; A364-F367 PolarHBondContact O-N 2.64Å; F367-W371 WeakPolarHBondContact O-CB 3.43Å; F367-W371 PolarHBondContact O-N 3.45Å |
| 368 | W | 97.9 | Very high | 96 | Very high | 7 Ų | 7 | 8.2 Ų | 8.2 | 3% | 0.027 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -74.9 | -29.1 | -178.2 | -66 | 117.9 | 0 | 0 | 0 | 113.5 | N231 D232 Y254 N266 A364 W371 A372 | N231-W368 WeakPolarHBondContact O-CZ2 3.21Å; D232-W368 HydrophobicContact CB-CH2 3.89Å; D232-W368 HydrophobicContact CB-CZ2 3.72Å; D232-W368 VanDerWaalsContact CG-CZ2 3.44Å; D232-W368 VanDerWaalsContact OD1-CH2 3.3Å; D232-W368 WeakPolarHBondContact OD1-CH2 3.31Å; D232-W368 WeakPolarHBondContact OD1-CZ2 3.32Å; Y254-W368 HydrophobicContact CD1-CH2 4.39Å; Y254-W368 AromaticContact CD2-CH2 3.79Å; Y254-W368 HydrophobicContact CD2-CH2 3.79Å; Y254-W368 HydrophobicContact CD2-CZ3 4.46Å; Y254-W368 HydrophobicContact CE2-CH2 4Å; Y254-W368 HydrophobicContact CE2-CZ3 4.24Å; Y254-W368 HydrophobicContact CG-CH2 4.03Å; N266-W368 VanDerWaalsContact OD1-CD1 3.26Å; N266-W368 PolarHBondContact OD1-NE1 3.41Å; A364-W368 PolarHBondContact O-N 2.99Å; W368-W371 HydrophobicContact CE3-CB 4.01Å; W368-W371 AromaticContact CE3-CD2 3.7Å; W368-W371 HydrophobicContact CE3-CD2 3.7Å; W368-W371 AromaticContact CE3-CE3 3.9Å; W368-W371 HydrophobicContact CE3-CE3 3.9Å; W368-W371 AromaticContact CE3-CG 3.76Å; W368-W371 HydrophobicContact CE3-CG 3.76Å; W368-W371 AromaticContact CZ3-CD1 4Å; W368-W371 AromaticContact CZ3-CD2 3.89Å; W368-W371 HydrophobicContact CZ3-CD2 3.89Å; W368-W371 AromaticContact CZ3-CE2 3.95Å; W368-W371 HydrophobicContact CZ3-CE3 4.42Å; W368-W371 AromaticContact CZ3-CG 3.93Å; W368-W371 HydrophobicContact CZ3-CG 3.93Å; W368-A372 VanDerWaalsContact O-CB 3.31Å; W368-A372 WeakPolarHBondContact O-CB 3.44Å; W368-A372 PolarHBondContact O-N 3.13Å |
| 369 | G | 98.2 | Very high | 95 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -62.4 | -47.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | H365 L366 V373 | H365-G369 WeakPolarHBondContact O-CA 3.45Å; H365-G369 PolarHBondContact O-N 3.46Å; L366-G369 PolarHBondContact O-N 2.89Å; G369-V373 PolarHBondContact O-N 3.14Å |
| 370 | V | 98 | Very high | 93.7 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -65.5 | -46.4 | 175.6 | 173.1 | 0 | 0 | 0 | 0 | 111 | W180 I181 L184 L208 L366 A372 V373 I374 | W180-V370 HydrophobicContact CB-CG1 3.77Å; I181-V370 HydrophobicContact CG1-CG1 4.03Å; I181-V370 HydrophobicContact CG1-CG2 4.01Å; L184-V370 HydrophobicContact CD2-CG1 4.19Å; L208-V370 HydrophobicContact CD1-CG2 4.39Å; L208-V370 HydrophobicContact CD2-CG2 4.49Å; L366-V370 HydrophobicContact CD1-CG2 4.2Å; L366-V370 WeakPolarHBondContact O-CB 3.39Å; L366-V370 VanDerWaalsContact O-CG2 3.29Å; L366-V370 WeakPolarHBondContact O-CG2 3.29Å; L366-V370 PolarHBondContact O-N 3.3Å; V370-A372 VanDerWaalsContact C-N 3.32Å; V370-A372 PolarHBondContact O-N 3.44Å; V370-V373 PolarHBondContact O-N 3.44Å; V370-I374 HydrophobicContact CG1-CD1 4.05Å; V370-I374 WeakPolarHBondContact O-CG1 3.33Å; V370-I374 PolarHBondContact O-N 3.25Å |
| 371 | W | 95.9 | Very high | 92.6 | Very high | 17 Ų | 17 | 24.5 Ų | 24.5 | 6% | 0.064 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -52.2 | -49.5 | 176.7 | 170.9 | 89.9 | 0 | 0 | 0 | 112.2 | L52 W180 Y254 F367 W368 V373 I374 L375 Y385 | L52-W371 HydrophobicContact CB-CH2 4.5Å; L52-W371 HydrophobicContact CD1-CH2 3.88Å; W180-W371 HydrophobicContact CE3-CB 4.06Å; W180-W371 HydrophobicContact CH2-CB 4.35Å; W180-W371 AromaticContact CH2-CD1 3.84Å; W180-W371 HydrophobicContact CH2-CG 4.46Å; W180-W371 HydrophobicContact CZ3-CB 3.68Å; W180-W371 HydrophobicContact CZ3-CG 4.25Å; Y254-W371 AromaticContact CZ-NE1 3.57Å; Y254-W371 PolarHBondContact OH-NE1 3.44Å; F367-W371 WeakPolarHBondContact O-CB 3.43Å; F367-W371 PolarHBondContact O-N 3.45Å; W368-W371 HydrophobicContact CE3-CB 4.01Å; W368-W371 AromaticContact CE3-CD2 3.7Å; W368-W371 HydrophobicContact CE3-CD2 3.7Å; W368-W371 AromaticContact CE3-CE3 3.9Å; W368-W371 HydrophobicContact CE3-CE3 3.9Å; W368-W371 AromaticContact CE3-CG 3.76Å; W368-W371 HydrophobicContact CE3-CG 3.76Å; W368-W371 AromaticContact CZ3-CD1 4Å; W368-W371 AromaticContact CZ3-CD2 3.89Å; W368-W371 HydrophobicContact CZ3-CD2 3.89Å; W368-W371 AromaticContact CZ3-CE2 3.95Å; W368-W371 HydrophobicContact CZ3-CE3 4.42Å; W368-W371 AromaticContact CZ3-CG 3.93Å; W368-W371 HydrophobicContact CZ3-CG 3.93Å; W371-V373 PolarHBondContact O-N 2.88Å; W371-I374 PolarHBondContact O-N 3.34Å; W371-L375 HydrophobicContact CD2-CD1 3.87Å; W371-L375 HydrophobicContact CE3-CD1 4.31Å; W371-L375 HydrophobicContact CH2-CD1 3.62Å; W371-L375 HydrophobicContact CZ2-CD1 3.12Å; W371-L375 HydrophobicContact CZ2-CG 4.45Å; W371-L375 HydrophobicContact CZ3-CD1 4.18Å; W371-L375 PolarHBondContact O-N 2.73Å; W371-Y385 HydrophobicContact CH2-CD1 4.4Å; W371-Y385 AromaticContact CH2-CE1 3.76Å; W371-Y385 HydrophobicContact CH2-CE1 3.76Å; W371-Y385 HydrophobicContact CZ2-CE1 4.48Å; W371-Y385 HydrophobicContact CZ3-CD1 4.18Å; W371-Y385 HydrophobicContact CZ3-CE1 4Å |
| 372 | A | 95.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.9 | -42.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | W368 V370 I374 L375 S376 Y385 Y388 | W368-A372 VanDerWaalsContact O-CB 3.31Å; W368-A372 WeakPolarHBondContact O-CB 3.44Å; W368-A372 PolarHBondContact O-N 3.13Å; V370-A372 VanDerWaalsContact C-N 3.32Å; V370-A372 PolarHBondContact O-N 3.44Å; A372-I374 VanDerWaalsContact C-N 3.32Å; A372-I374 PolarHBondContact O-N 3.19Å; A372-L375 CarbonylContact O-C 3.57Å; A372-L375 PolarHBondContact O-N 3.38Å; A372-L375 VanDerWaalsContact O-N 3.09Å; A372-S376 PolarHBondContact O-N 3.12Å; A372-Y385 WeakPolarHBondContact CB-O 3.44Å; A372-Y385 WeakPolarHBondContact O-CB 3.4Å; A372-Y388 HydrophobicContact CB-CD1 3.67Å; A372-Y388 HydrophobicContact CB-CE1 4.37Å |
| 373 | V | 96.1 | Very high | 91.4 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.006 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64.4 | -35.1 | 176.9 | 173.9 | 0 | 0 | 0 | 0 | 112.4 | L184 P185 L198 F202 G369 V370 W371 L375 S376 L386 | L184-V373 HydrophobicContact CD2-CB 3.88Å; L184-V373 HydrophobicContact CD2-CG1 3.57Å; P185-V373 HydrophobicContact CG-CG1 4.01Å; L198-V373 HydrophobicContact CD1-CG1 3.49Å; L198-V373 VanDerWaalsContact CD1-CG1 3.49Å; L198-V373 HydrophobicContact CD1-CG2 4.4Å; F202-V373 HydrophobicContact CD1-CG1 4.43Å; F202-V373 HydrophobicContact CD1-CG2 4.22Å; F202-V373 HydrophobicContact CD2-CG2 3.64Å; F202-V373 HydrophobicContact CE1-CB 4.2Å; F202-V373 HydrophobicContact CE1-CG1 4.26Å; F202-V373 HydrophobicContact CE1-CG2 3.93Å; F202-V373 HydrophobicContact CE2-CB 4.32Å; F202-V373 HydrophobicContact CE2-CG2 3.29Å; F202-V373 HydrophobicContact CG-CG2 4.08Å; F202-V373 HydrophobicContact CZ-CB 4Å; F202-V373 HydrophobicContact CZ-CG2 3.46Å; F202-V373 VanDerWaalsContact CZ-CG2 3.46Å; G369-V373 PolarHBondContact O-N 3.14Å; V370-V373 PolarHBondContact O-N 3.44Å; W371-V373 PolarHBondContact O-N 2.88Å; V373-L375 VanDerWaalsContact C-N 3.33Å; V373-L375 PolarHBondContact O-N 3.19Å; V373-S376 WeakPolarHBondContact O-CB 3.38Å; V373-S376 PolarHBondContact O-N 3.26Å; V373-S376 PolarHBondContact O-OG 3.01Å; V373-L386 HydrophobicContact CG2-CD1 4.19Å |
| 374 | I | 93.9 | Very high | 91.1 | Very high | 3 Ų | 3 | 38 Ų | 38 | 2% | 0.015 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.3 | -44 | 172.1 | -61.6 | 163.7 | 0 | 0 | 0 | 110.6 | F82 I83 W180 K183 L184 V370 W371 A372 S376 V377 | F82-I374 HydrophobicContact CD1-CG2 4.11Å; F82-I374 HydrophobicContact CE1-CG2 4.16Å; I83-I374 HydrophobicContact CD1-CB 4.07Å; I83-I374 HydrophobicContact CD1-CG2 3.59Å; I83-I374 HydrophobicContact CG1-CG2 3.86Å; W180-I374 HydrophobicContact CB-CD1 3.51Å; W180-I374 HydrophobicContact CD2-CD1 4.47Å; W180-I374 HydrophobicContact CG-CD1 3.87Å; W180-I374 VanDerWaalsContact O-CD1 3.26Å; W180-I374 WeakPolarHBondContact O-CD1 3.31Å; K183-I374 HydrophobicContact CB-CD1 4.19Å; K183-I374 HydrophobicContact CB-CG1 4.44Å; L184-I374 HydrophobicContact CD2-CG1 4.11Å; V370-I374 HydrophobicContact CG1-CD1 4.05Å; V370-I374 WeakPolarHBondContact O-CG1 3.33Å; V370-I374 PolarHBondContact O-N 3.25Å; W371-I374 PolarHBondContact O-N 3.34Å; A372-I374 VanDerWaalsContact C-N 3.32Å; A372-I374 PolarHBondContact O-N 3.19Å; I374-S376 PolarHBondContact O-N 3.11Å; I374-V377 WeakPolarHBondContact O-CG2 3.21Å |
| 375 | L | 91.8 | Very high | 90.8 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -71.5 | -17.6 | 179.2 | -70.4 | -175.4 | 0 | 0 | 0 | 114.2 | L79 I83 W371 A372 V373 V377 Q378 Y385 | L79-L375 HydrophobicContact CD2-CD2 3.38Å; L79-L375 HydrophobicContact CG-CD2 3.6Å; I83-L375 HydrophobicContact CD1-CD2 3.35Å; I83-L375 HydrophobicContact CD1-CG 3.66Å; W371-L375 HydrophobicContact CD2-CD1 3.87Å; W371-L375 HydrophobicContact CE3-CD1 4.31Å; W371-L375 HydrophobicContact CH2-CD1 3.62Å; W371-L375 HydrophobicContact CZ2-CD1 3.12Å; W371-L375 HydrophobicContact CZ2-CG 4.45Å; W371-L375 HydrophobicContact CZ3-CD1 4.18Å; W371-L375 PolarHBondContact O-N 2.73Å; A372-L375 CarbonylContact O-C 3.57Å; A372-L375 PolarHBondContact O-N 3.38Å; A372-L375 VanDerWaalsContact O-N 3.09Å; V373-L375 VanDerWaalsContact C-N 3.33Å; V373-L375 PolarHBondContact O-N 3.19Å; L375-V377 PolarHBondContact O-N 3.37Å; L375-Q378 WeakPolarHBondContact O-CB 3.46Å; L375-Q378 WeakPolarHBondContact O-CG 3.36Å; L375-Q378 PolarHBondContact O-N 3.33Å; L375-Y385 HydrophobicContact CB-CD1 3.54Å; L375-Y385 HydrophobicContact CB-CD2 4.28Å; L375-Y385 HydrophobicContact CB-CE1 3.63Å; L375-Y385 HydrophobicContact CB-CE2 4.34Å; L375-Y385 HydrophobicContact CB-CG 3.88Å; L375-Y385 HydrophobicContact CD1-CD1 4.09Å; L375-Y385 HydrophobicContact CD1-CE1 3.46Å; L375-Y385 VanDerWaalsContact CD1-CE1 3.46Å; L375-Y385 HydrophobicContact CG-CD1 4.48Å; L375-Y385 HydrophobicContact CG-CE1 4.21Å |
| 376 | S | 92.9 | Very high | 90.7 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.007 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -11.9 | 180 | 73.9 | 0 | 0 | 0 | 0 | 114.5 | Y188 K194 A372 V373 I374 Q378 | Y188-S376 WeakPolarHBondContact CE1-O 3.19Å; Y188-S376 VanDerWaalsContact CE1-OG 3.31Å; Y188-S376 WeakPolarHBondContact CE1-OG 3.42Å; Y188-S376 PolarHBondContact OH-OG 2.88Å; K194-S376 VanDerWaalsContact CE-O 3.26Å; K194-S376 WeakPolarHBondContact CE-O 3.35Å; K194-S376 PolarHBondContact NZ-O 2.77Å; A372-S376 PolarHBondContact O-N 3.12Å; V373-S376 WeakPolarHBondContact O-CB 3.38Å; V373-S376 PolarHBondContact O-N 3.26Å; V373-S376 PolarHBondContact O-OG 3.01Å; I374-S376 PolarHBondContact O-N 3.11Å; S376-Q378 PolarHBondContact O-N 3.29Å |
| 377 | V | 90 | Very high | 90.5 | Very high | 59 Ų | 59 | 39.9 Ų | 39.9 | 36% | 0.358 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -13.9 | 172 | -57.8 | 0 | 0 | 0 | 0 | 113.4 | L79 P185 Y188 I374 L375 E379 | L79-V377 HydrophobicContact CD1-CG2 4.05Å; L79-V377 HydrophobicContact CD2-CG2 3.97Å; P185-V377 HydrophobicContact CB-CG1 3.56Å; P185-V377 HydrophobicContact CG-CG1 4.1Å; Y188-V377 HydrophobicContact CD1-CG1 4.39Å; Y188-V377 HydrophobicContact CE1-CG1 4.15Å; I374-V377 WeakPolarHBondContact O-CG2 3.21Å; L375-V377 PolarHBondContact O-N 3.37Å; V377-E379 PolarHBondContact O-N 3.43Å |
| 378 | Q | 83.1 | Confident | 90.5 | Very high | 36 Ų | 36 | 40.3 Ų | 40.3 | 17% | 0.168 | 20% | 0.198 | C | C | . | . | trans | -63.2 | 134.8 | 174.1 | -66.6 | -175 | -16.7 | 0 | 0 | 110.5 | L79 L375 S376 T381 | L79-Q378 HydrophobicContact CD2-CG 3.17Å; L375-Q378 WeakPolarHBondContact O-CB 3.46Å; L375-Q378 WeakPolarHBondContact O-CG 3.36Å; L375-Q378 PolarHBondContact O-N 3.33Å; S376-Q378 PolarHBondContact O-N 3.29Å; Q378-T381 HydrophobicContact CB-CG2 3.43Å; Q378-T381 VanDerWaalsContact CB-CG2 3.43Å; Q378-T381 HydrophobicContact CG-CG2 4.38Å; Q378-T381 VanDerWaalsContact OE1-CG2 3.28Å | ||
| 379 | E | 76.7 | Confident | 90.4 | Very high | 128 Ų | 128 | 40 Ų | 40 | 60% | 0.598 | 20% | 0.197 | S | C | * | . | S | Bend | trans | -93.3 | 149.1 | 170.5 | -63.8 | 176.1 | -164.9 | 0 | 0 | 108.9 | V377 | V377-E379 PolarHBondContact O-N 3.43Š|
| 380 | Q | 70.3 | Confident | 90.4 | Very high | 196 Ų | 196 | 40.2 Ų | 40.2 | 92% | 0.916 | 20% | 0.198 | S | C | * | . | S | Bend | trans | 63.4 | 39.9 | 173.4 | -51.2 | 178.5 | 15.2 | 0 | 0 | 115.8 | ||
| 381 | T | 74.9 | Confident | 90.5 | Very high | 55 Ų | 55 | 41.6 Ų | 41.6 | 34% | 0.337 | 21% | 0.208 | S | C | . | . | trans | -93.5 | 145.1 | 175.8 | 61.6 | 0 | 0 | 0 | 0 | 111.2 | Q378 F383 Y385 | Q378-T381 HydrophobicContact CB-CG2 3.43Å; Q378-T381 VanDerWaalsContact CB-CG2 3.43Å; Q378-T381 HydrophobicContact CG-CG2 4.38Å; Q378-T381 VanDerWaalsContact OE1-CG2 3.28Å; T381-F383 PolarHBondContact O-N 3.03Å; T381-F383 PolarHBondContact OG1-O 3.29Å; T381-Y385 HydrophobicContact CG2-CD2 4.38Å; T381-Y385 HydrophobicContact CG2-CE2 3.88Å | ||
| 382 | K | 82.3 | Confident | 90.6 | Very high | 180 Ų | 180 | 40.9 Ų | 40.9 | 78% | 0.783 | 21% | 0.205 | S | C | * | . | S | Bend | trans | -71 | -18.4 | 170 | -65.4 | -174.6 | -175.1 | -177.7 | 0 | 112.4 | E49 | E49-K382 VanDerWaalsContact CD-NZ 3.28Å; E49-K382 IonicContact OE1-NZ 3.78Å; E49-K382 PolarHBondContact OE1-NZ 3.37Å; E49-K382 IonicContact OE2-NZ 3.6Å; E49-K382 PolarHBondContact OE2-NZ 3.45Å |
| 383 | F | 88.6 | Confident | 90.7 | Very high | 20 Ų | 20 | 40.9 Ų | 40.9 | 9% | 0.088 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -105.7 | 130.1 | -176.1 | -175.3 | -100.7 | 0 | 0 | 0 | 111.5 | L52 I274 T381 Y385 Y388 | L52-F383 HydrophobicContact CD1-CD1 4.49Å; L52-F383 HydrophobicContact CD2-CB 3.77Å; L52-F383 HydrophobicContact CD2-CD1 4.35Å; L52-F383 HydrophobicContact CD2-CD2 4.27Å; L52-F383 HydrophobicContact CD2-CG 3.89Å; I274-F383 HydrophobicContact CB-CE2 4.39Å; T381-F383 PolarHBondContact O-N 3.03Å; T381-F383 PolarHBondContact OG1-O 3.29Å; F383-Y385 HydrophobicContact CB-CE2 4.47Å; F383-Y385 AromaticContact CD1-CD1 3.42Å; F383-Y385 HydrophobicContact CD1-CD1 3.42Å; F383-Y385 VanDerWaalsContact CD1-CD1 3.42Å; F383-Y385 AromaticContact CD1-CD2 3.97Å; F383-Y385 HydrophobicContact CD1-CD2 3.97Å; F383-Y385 AromaticContact CD1-CE1 3.53Å; F383-Y385 HydrophobicContact CD1-CE1 3.53Å; F383-Y385 HydrophobicContact CD1-CE2 4.08Å; F383-Y385 AromaticContact CD1-CG 3.65Å; F383-Y385 HydrophobicContact CD1-CG 3.65Å; F383-Y385 AromaticContact CD1-CZ 3.88Å; F383-Y385 AromaticContact CE1-CD1 3.54Å; F383-Y385 HydrophobicContact CE1-CD1 3.54Å; F383-Y385 AromaticContact CE1-CE1 3.86Å; F383-Y385 HydrophobicContact CE1-CE1 3.86Å; F383-Y385 HydrophobicContact CE1-CG 4.07Å; F383-Y385 WeakPolarHBondContact O-CD2 3.14Å; F383-Y385 PolarHBondContact O-N 2.84Å; F383-Y388 HydrophobicContact CE1-CD1 4.16Å; F383-Y388 HydrophobicContact CE1-CG 4.04Å; F383-Y388 AromaticContact CZ-CD1 3.9Å; F383-Y388 HydrophobicContact CZ-CD1 3.9Å; F383-Y388 AromaticContact CZ-CD2 3.82Å; F383-Y388 HydrophobicContact CZ-CD2 3.82Å; F383-Y388 HydrophobicContact CZ-CE2 4.47Å; F383-Y388 AromaticContact CZ-CG 3.5Å; F383-Y388 HydrophobicContact CZ-CG 3.5Å; F383-Y388 VanDerWaalsContact CZ-CG 3.5Å |
| 384 | D | 92.1 | Very high | 90.8 | Very high | 84 Ų | 84 | 45.1 Ų | 45.1 | 45% | 0.449 | 23% | 0.228 | S | C | . | . | trans | -86.4 | 82 | 176.6 | -174.2 | -5.9 | 0 | 0 | 0 | 111.2 | R197 L386 S387 Y388 | R197-D384 IonicContact NH1-OD2 3.43Å; D384-L386 VanDerWaalsContact C-N 3.27Å; D384-L386 PolarHBondContact O-N 2.81Å; D384-L386 PolarHBondContact OD1-N 3.35Å; D384-S387 VanDerWaalsContact CG-CB 3.45Å; D384-S387 PolarHBondContact O-N 3.27Å; D384-S387 PolarHBondContact OD1-N 2.99Å; D384-S387 VanDerWaalsContact OD1-N 3.08Å; D384-S387 PolarHBondContact OD1-OG 3.31Å; D384-S387 WeakPolarHBondContact OD2-CB 3.46Å; D384-S387 PolarHBondContact OD2-OG 2.81Å; D384-Y388 PolarHBondContact O-N 2.91Å | ||
| 385 | Y | 93.7 | Very high | 91.1 | Very high | 5 Ų | 5 | 46.7 Ų | 46.7 | 2% | 0.02 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -55.3 | -36.5 | 177.7 | -73.9 | -72.4 | 0 | 0 | 0 | 114.4 | L52 W371 A372 L375 T381 F383 G389 | L52-Y385 VanDerWaalsContact C-OH 3.27Å; L52-Y385 WeakPolarHBondContact CB-OH 3.35Å; L52-Y385 PolarHBondContact O-OH 3.47Å; W371-Y385 HydrophobicContact CH2-CD1 4.4Å; W371-Y385 AromaticContact CH2-CE1 3.76Å; W371-Y385 HydrophobicContact CH2-CE1 3.76Å; W371-Y385 HydrophobicContact CZ2-CE1 4.48Å; W371-Y385 HydrophobicContact CZ3-CD1 4.18Å; W371-Y385 HydrophobicContact CZ3-CE1 4Å; A372-Y385 WeakPolarHBondContact CB-O 3.44Å; A372-Y385 WeakPolarHBondContact O-CB 3.4Å; L375-Y385 HydrophobicContact CB-CD1 3.54Å; L375-Y385 HydrophobicContact CB-CD2 4.28Å; L375-Y385 HydrophobicContact CB-CE1 3.63Å; L375-Y385 HydrophobicContact CB-CE2 4.34Å; L375-Y385 HydrophobicContact CB-CG 3.88Å; L375-Y385 HydrophobicContact CD1-CD1 4.09Å; L375-Y385 HydrophobicContact CD1-CE1 3.46Å; L375-Y385 VanDerWaalsContact CD1-CE1 3.46Å; L375-Y385 HydrophobicContact CG-CD1 4.48Å; L375-Y385 HydrophobicContact CG-CE1 4.21Å; T381-Y385 HydrophobicContact CG2-CD2 4.38Å; T381-Y385 HydrophobicContact CG2-CE2 3.88Å; F383-Y385 HydrophobicContact CB-CE2 4.47Å; F383-Y385 AromaticContact CD1-CD1 3.42Å; F383-Y385 HydrophobicContact CD1-CD1 3.42Å; F383-Y385 VanDerWaalsContact CD1-CD1 3.42Å; F383-Y385 AromaticContact CD1-CD2 3.97Å; F383-Y385 HydrophobicContact CD1-CD2 3.97Å; F383-Y385 AromaticContact CD1-CE1 3.53Å; F383-Y385 HydrophobicContact CD1-CE1 3.53Å; F383-Y385 HydrophobicContact CD1-CE2 4.08Å; F383-Y385 AromaticContact CD1-CG 3.65Å; F383-Y385 HydrophobicContact CD1-CG 3.65Å; F383-Y385 AromaticContact CD1-CZ 3.88Å; F383-Y385 AromaticContact CE1-CD1 3.54Å; F383-Y385 HydrophobicContact CE1-CD1 3.54Å; F383-Y385 AromaticContact CE1-CE1 3.86Å; F383-Y385 HydrophobicContact CE1-CE1 3.86Å; F383-Y385 HydrophobicContact CE1-CG 4.07Å; F383-Y385 WeakPolarHBondContact O-CD2 3.14Å; F383-Y385 PolarHBondContact O-N 2.84Å; Y385-G389 PolarHBondContact O-N 3.26Å |
| 386 | L | 95.1 | Very high | 91.4 | Very high | 2 Ų | 2 | 46.7 Ų | 46.7 | 1% | 0.01 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -71 | -46.8 | -177 | 179.9 | 59 | 0 | 0 | 0 | 110.1 | K194 R197 L198 V373 D384 Y388 G389 I390 | K194-L386 HydrophobicContact CG-CD2 3.53Å; R197-L386 HydrophobicContact CB-CD2 4.37Å; R197-L386 HydrophobicContact CG-CD2 4.41Å; L198-L386 HydrophobicContact CB-CD1 4.23Å; L198-L386 HydrophobicContact CD1-CD1 3.77Å; V373-L386 HydrophobicContact CG2-CD1 4.19Å; D384-L386 VanDerWaalsContact C-N 3.27Å; D384-L386 PolarHBondContact O-N 2.81Å; D384-L386 PolarHBondContact OD1-N 3.35Å; L386-Y388 VanDerWaalsContact C-N 3.34Å; L386-Y388 PolarHBondContact O-N 2.98Å; L386-G389 PolarHBondContact O-N 3.06Å; L386-I390 HydrophobicContact CD1-CD1 3.82Å; L386-I390 HydrophobicContact CD1-CG1 4.24Å; L386-I390 HydrophobicContact CG-CD1 3.81Å; L386-I390 WeakPolarHBondContact O-CD1 3.3Å; L386-I390 WeakPolarHBondContact O-CG1 3.2Å; L386-I390 PolarHBondContact O-N 3.46Å |
| 387 | S | 95.8 | Very high | 91.6 | Very high | 36 Ų | 36 | 49.4 Ų | 49.4 | 25% | 0.252 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -60.5 | -43.5 | 175.7 | -66.9 | 0 | 0 | 0 | 0 | 112.2 | R197 D384 I390 S391 | R197-S387 VanDerWaalsContact CZ-OG 3.27Å; R197-S387 PolarHBondContact NH1-OG 3.31Å; R197-S387 PolarHBondContact NH2-OG 3.48Å; D384-S387 VanDerWaalsContact CG-CB 3.45Å; D384-S387 PolarHBondContact O-N 3.27Å; D384-S387 PolarHBondContact OD1-N 2.99Å; D384-S387 VanDerWaalsContact OD1-N 3.08Å; D384-S387 PolarHBondContact OD1-OG 3.31Å; D384-S387 WeakPolarHBondContact OD2-CB 3.46Å; D384-S387 PolarHBondContact OD2-OG 2.81Å; S387-I390 PolarHBondContact O-N 3.5Å; S387-S391 WeakPolarHBondContact O-CB 3.33Å; S387-S391 PolarHBondContact O-N 3.31Å |
| 388 | Y | 97 | Very high | 91.9 | Very high | 15 Ų | 15 | 49.8 Ų | 49.8 | 6% | 0.059 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.9 | -42.6 | 176.8 | -179.4 | -98.4 | 0 | 0 | 0 | 111.9 | I274 V277 A372 F383 D384 L386 I390 S391 R392 | I274-Y388 HydrophobicContact CB-CE2 4.37Å; I274-Y388 HydrophobicContact CG2-CE2 4.21Å; V277-Y388 HydrophobicContact CG2-CD2 3.95Å; V277-Y388 HydrophobicContact CG2-CE2 4.15Å; A372-Y388 HydrophobicContact CB-CD1 3.67Å; A372-Y388 HydrophobicContact CB-CE1 4.37Å; F383-Y388 HydrophobicContact CE1-CD1 4.16Å; F383-Y388 HydrophobicContact CE1-CG 4.04Å; F383-Y388 AromaticContact CZ-CD1 3.9Å; F383-Y388 HydrophobicContact CZ-CD1 3.9Å; F383-Y388 AromaticContact CZ-CD2 3.82Å; F383-Y388 HydrophobicContact CZ-CD2 3.82Å; F383-Y388 HydrophobicContact CZ-CE2 4.47Å; F383-Y388 AromaticContact CZ-CG 3.5Å; F383-Y388 HydrophobicContact CZ-CG 3.5Å; F383-Y388 VanDerWaalsContact CZ-CG 3.5Å; D384-Y388 PolarHBondContact O-N 2.91Å; L386-Y388 VanDerWaalsContact C-N 3.34Å; L386-Y388 PolarHBondContact O-N 2.98Å; Y388-I390 PolarHBondContact O-N 3.4Å; Y388-S391 PolarHBondContact O-N 3.29Å; Y388-S391 PolarHBondContact O-OG 2.88Å; Y388-R392 HydrophobicContact CD1-CG 4.19Å; Y388-R392 HydrophobicContact CE1-CG 3.77Å; Y388-R392 HydrophobicContact CE2-CG 4.17Å; Y388-R392 WeakPolarHBondContact O-CG 3.33Å; Y388-R392 PolarHBondContact O-N 3.49Å |
| 389 | G | 97.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.4 | -46.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y385 L386 R392 I393 | Y385-G389 PolarHBondContact O-N 3.26Å; L386-G389 PolarHBondContact O-N 3.06Å; G389-R392 PolarHBondContact O-N 2.98Å; G389-I393 WeakPolarHBondContact O-CG1 3.39Å; G389-I393 PolarHBondContact O-N 3.36Å; G389-I393 VanDerWaalsContact O-N 3.11Å |
| 390 | I | 98.2 | Very high | 93.5 | Very high | 6 Ų | 6 | 44.3 Ų | 44.3 | 3% | 0.031 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.8 | -44.9 | 176.1 | -69.1 | 162.7 | 0 | 0 | 0 | 110.8 | R197 E201 F202 L386 S387 Y388 R392 I393 N394 | R197-I390 HydrophobicContact CG-CD1 4.38Å; E201-I390 HydrophobicContact CB-CD1 3.72Å; E201-I390 HydrophobicContact CB-CG1 4.18Å; E201-I390 HydrophobicContact CB-CG2 4.07Å; E201-I390 WeakPolarHBondContact OE2-CD1 3.45Å; F202-I390 HydrophobicContact CB-CG1 4.35Å; F202-I390 HydrophobicContact CD2-CG1 3.99Å; L386-I390 HydrophobicContact CD1-CD1 3.82Å; L386-I390 HydrophobicContact CD1-CG1 4.24Å; L386-I390 HydrophobicContact CG-CD1 3.81Å; L386-I390 WeakPolarHBondContact O-CD1 3.3Å; L386-I390 WeakPolarHBondContact O-CG1 3.2Å; L386-I390 PolarHBondContact O-N 3.46Å; S387-I390 PolarHBondContact O-N 3.5Å; Y388-I390 PolarHBondContact O-N 3.4Å; I390-R392 PolarHBondContact O-N 3.11Å; I390-I393 PolarHBondContact O-N 2.73Å; I390-N394 WeakPolarHBondContact O-CB 3.26Å; I390-N394 PolarHBondContact O-ND2 3.44Å; I390-N394 VanDerWaalsContact O-CG 3.3Å; I390-N394 PolarHBondContact O-N 2.97Å |
| 391 | S | 98.3 | Very high | 94.6 | Very high | 29 Ų | 29 | 39.7 Ų | 39.7 | 20% | 0.203 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.2 | -41.3 | -179.3 | 78.8 | 0 | 0 | 0 | 0 | 112 | F279 S387 Y388 N394 Q395 | F279-S391 WeakPolarHBondContact CE2-O 3.41Å; S387-S391 WeakPolarHBondContact O-CB 3.33Å; S387-S391 PolarHBondContact O-N 3.31Å; Y388-S391 PolarHBondContact O-N 3.29Å; Y388-S391 PolarHBondContact O-OG 2.88Å; S391-N394 PolarHBondContact O-N 3.4Å; S391-Q395 WeakPolarHBondContact O-CB 3.22Å; S391-Q395 PolarHBondContact O-N 2.88Å |
| 392 | R | 98.6 | Very high | 95.3 | Very high | 1 Ų | 1 | 42.4 Ų | 42.4 | 0% | 0.004 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.3 | -41.2 | 175.4 | -68.2 | -68.4 | -69.2 | -148.3 | -3.5 | 112 | E270 A364 H365 Y388 G389 I390 Q395 Y396 | E270-R392 IonicContact OE1-CZ 3.71Å; E270-R392 IonicContact OE1-NH1 3.43Å; E270-R392 PolarHBondContact OE1-NH1 3.22Å; E270-R392 IonicContact OE1-NH2 3.93Å; E270-R392 PolarHBondContact OE1-NH2 2.99Å; A364-R392 PolarHBondContact O-NH2 2.6Å; H365-R392 PolarHBondContact ND1-NE 3.47Å; H365-R392 VanDerWaalsContact ND1-NE 3.13Å; Y388-R392 HydrophobicContact CD1-CG 4.19Å; Y388-R392 HydrophobicContact CE1-CG 3.77Å; Y388-R392 HydrophobicContact CE2-CG 4.17Å; Y388-R392 WeakPolarHBondContact O-CG 3.33Å; Y388-R392 PolarHBondContact O-N 3.49Å; G389-R392 PolarHBondContact O-N 2.98Å; I390-R392 PolarHBondContact O-N 3.11Å; R392-Q395 PolarHBondContact O-N 2.97Å; R392-Y396 PolarHBondContact O-N 3.3Å |
| 393 | I | 98.5 | Very high | 95.4 | Very high | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -70.8 | -36.6 | 177.3 | -66.4 | -54 | 0 | 0 | 0 | 112.4 | F202 P203 L208 L366 G389 I390 Q395 Y396 Y397 | F202-I393 HydrophobicContact CD2-CB 4.46Å; F202-I393 HydrophobicContact CD2-CG1 4.08Å; F202-I393 HydrophobicContact CE2-CB 4.07Å; F202-I393 HydrophobicContact CE2-CD1 4.37Å; F202-I393 HydrophobicContact CE2-CG1 3.25Å; F202-I393 HydrophobicContact CZ-CD1 4.38Å; F202-I393 HydrophobicContact CZ-CG1 3.68Å; P203-I393 HydrophobicContact CG-CG2 3.61Å; L208-I393 HydrophobicContact CD2-CD1 4.43Å; L366-I393 HydrophobicContact CD1-CD1 3.7Å; G389-I393 WeakPolarHBondContact O-CG1 3.39Å; G389-I393 PolarHBondContact O-N 3.36Å; G389-I393 VanDerWaalsContact O-N 3.11Å; I390-I393 PolarHBondContact O-N 2.73Å; I393-Q395 VanDerWaalsContact C-N 3.29Å; I393-Q395 PolarHBondContact O-N 2.77Å; I393-Y396 VanDerWaalsContact O-CB 3.32Å; I393-Y396 PolarHBondContact O-N 3.1Å; I393-Y396 WeakPolarHBondContact O-CB 3.49Å; I393-Y397 HydrophobicContact CG2-CD2 3.9Å; I393-Y397 HydrophobicContact CG2-CE2 3.51Å; I393-Y397 WeakPolarHBondContact O-CD2 3.12Å; I393-Y397 PolarHBondContact O-N 3.36Å; I393-Y397 VanDerWaalsContact O-N 3.14Å |
| 394 | N | 98.3 | Very high | 94.9 | Very high | 90 Ų | 90 | 37.4 Ų | 37.4 | 48% | 0.481 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -61.9 | -41.5 | 172.1 | -71.4 | -19.8 | 0 | 0 | 0 | 111.1 | I390 S391 Y397 S398 | I390-N394 WeakPolarHBondContact O-CB 3.26Å; I390-N394 PolarHBondContact O-ND2 3.44Å; I390-N394 VanDerWaalsContact O-CG 3.3Å; I390-N394 PolarHBondContact O-N 2.97Å; S391-N394 PolarHBondContact O-N 3.4Å; N394-Y397 PolarHBondContact O-N 3.4Å; N394-S398 WeakPolarHBondContact O-CB 3.34Å; N394-S398 PolarHBondContact O-N 3.38Å |
| 395 | Q | 98.3 | Very high | 93.7 | Very high | 36 Ų | 36 | 37.5 Ų | 37.5 | 17% | 0.168 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.2 | -38.3 | 175.4 | -174.8 | 60.1 | 15.6 | 0 | 0 | 112.5 | F279 H365 S391 R392 I393 Y397 S398 M399 | F279-Q395 HydrophobicContact CB-CG 4.2Å; F279-Q395 HydrophobicContact CD1-CB 4.05Å; F279-Q395 HydrophobicContact CD1-CG 3.62Å; F279-Q395 HydrophobicContact CD2-CB 3.96Å; F279-Q395 HydrophobicContact CD2-CG 4.14Å; F279-Q395 HydrophobicContact CE1-CB 3.94Å; F279-Q395 HydrophobicContact CE1-CG 3.95Å; F279-Q395 HydrophobicContact CE2-CB 3.84Å; F279-Q395 HydrophobicContact CE2-CG 4.42Å; F279-Q395 HydrophobicContact CG-CB 4.06Å; F279-Q395 HydrophobicContact CG-CG 3.73Å; F279-Q395 HydrophobicContact CZ-CB 3.83Å; F279-Q395 HydrophobicContact CZ-CG 4.33Å; H365-Q395 WeakPolarHBondContact CE1-CG 3.29Å; H365-Q395 WeakPolarHBondContact NE2-CG 3.48Å; S391-Q395 WeakPolarHBondContact O-CB 3.22Å; S391-Q395 PolarHBondContact O-N 2.88Å; R392-Q395 PolarHBondContact O-N 2.97Å; I393-Q395 VanDerWaalsContact C-N 3.29Å; I393-Q395 PolarHBondContact O-N 2.77Å; Q395-Y397 PolarHBondContact O-N 3.3Å; Q395-S398 PolarHBondContact O-N 3.22Å; Q395-M399 VanDerWaalsContact O-CB 3.29Å; Q395-M399 WeakPolarHBondContact O-CB 3.46Å; Q395-M399 PolarHBondContact O-N 2.92Å |
| 396 | Y | 98.6 | Very high | 91.9 | Very high | 1 Ų | 1 | 44.2 Ų | 44.2 | 0% | 0.004 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -52.9 | -51.6 | 171.5 | 169.3 | -96.8 | 0 | 0 | 0 | 111.7 | E211 L215 L362 L366 R392 I393 K400 | E211-Y396 HydrophobicContact CB-CE1 4.17Å; E211-Y396 HydrophobicContact CG-CE1 4.03Å; E211-Y396 VanDerWaalsContact OE2-CE1 3.23Å; E211-Y396 WeakPolarHBondContact OE2-CE1 3.14Å; E211-Y396 PolarHBondContact OE2-OH 3.05Å; L215-Y396 HydrophobicContact CD1-CE2 3.88Å; L215-Y396 HydrophobicContact CD2-CE2 4.13Å; L215-Y396 HydrophobicContact CG-CE2 4.29Å; L362-Y396 HydrophobicContact CB-CD2 3.91Å; L362-Y396 HydrophobicContact CB-CE2 3.79Å; L362-Y396 HydrophobicContact CD2-CD2 4.08Å; L362-Y396 HydrophobicContact CD2-CE2 4.35Å; L362-Y396 WeakPolarHBondContact CD2-O 3.46Å; L362-Y396 WeakPolarHBondContact O-CD2 3.42Å; L366-Y396 HydrophobicContact CB-CD2 4.26Å; L366-Y396 HydrophobicContact CB-CE2 4.4Å; R392-Y396 PolarHBondContact O-N 3.3Å; I393-Y396 VanDerWaalsContact O-CB 3.32Å; I393-Y396 PolarHBondContact O-N 3.1Å; I393-Y396 WeakPolarHBondContact O-CB 3.49Å; Y396-K400 HydrophobicContact CE1-CD 4.14Å; Y396-K400 VanDerWaalsContact O-CB 3.22Å; Y396-K400 WeakPolarHBondContact O-CB 3.45Å; Y396-K400 PolarHBondContact O-N 3.38Å |
| 397 | Y | 98.1 | Very high | 89.7 | Confident | 57 Ų | 57 | 49.4 Ų | 49.4 | 22% | 0.224 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -67.7 | -40 | -179.6 | -71.5 | -62.9 | 0 | 0 | 0 | 112.6 | P203 V207 E211 I393 N394 Q395 K400 N401 | P203-Y397 HydrophobicContact CG-CE2 3.7Å; V207-Y397 WeakPolarHBondContact CG1-OH 3.19Å; E211-Y397 HydrophobicContact CG-CE1 4.16Å; I393-Y397 HydrophobicContact CG2-CD2 3.9Å; I393-Y397 HydrophobicContact CG2-CE2 3.51Å; I393-Y397 WeakPolarHBondContact O-CD2 3.12Å; I393-Y397 PolarHBondContact O-N 3.36Å; I393-Y397 VanDerWaalsContact O-N 3.14Å; N394-Y397 PolarHBondContact O-N 3.4Å; Q395-Y397 PolarHBondContact O-N 3.3Å; Y397-K400 PolarHBondContact O-N 2.78Å; Y397-N401 PolarHBondContact O-N 3.34Å; Y397-N401 PolarHBondContact O-ND2 2.98Å |
| 398 | S | 96.7 | Very high | 87.1 | Confident | 68 Ų | 68 | 54.5 Ų | 54.5 | 48% | 0.476 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -57.4 | -52 | 175.2 | -176.8 | 0 | 0 | 0 | 0 | 111.5 | N394 Q395 N401 H402 | N394-S398 WeakPolarHBondContact O-CB 3.34Å; N394-S398 PolarHBondContact O-N 3.38Å; Q395-S398 PolarHBondContact O-N 3.22Å; S398-N401 PolarHBondContact O-N 2.93Å; S398-H402 PolarHBondContact O-N 3.02Å |
| 399 | M | 96.1 | Very high | 86.6 | Confident | 18 Ų | 18 | 56.5 Ų | 56.5 | 9% | 0.089 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -66.5 | -38.9 | 179.5 | -173.9 | -179.5 | -173.3 | 0 | 0 | 112 | Y282 N358 A361 L362 Q395 N401 H402 L403 | Y282-M399 HydrophobicContact CE1-CE 4.07Å; N358-M399 HydrophobicContact CB-CE 3.9Å; N358-M399 WeakPolarHBondContact O-CE 3.39Å; N358-M399 WeakPolarHBondContact OD1-CE 3.31Å; A361-M399 HydrophobicContact CB-CE 3.71Å; A361-M399 HydrophobicContact CB-SD 4.19Å; L362-M399 HydrophobicContact CD2-CB 3.58Å; L362-M399 HydrophobicContact CD2-CG 3.57Å; L362-M399 HydrophobicContact CD2-SD 3.81Å; L362-M399 HydrophobicContact CG-CG 4.37Å; L362-M399 HydrophobicContact CG-SD 4.28Å; Q395-M399 VanDerWaalsContact O-CB 3.29Å; Q395-M399 WeakPolarHBondContact O-CB 3.46Å; Q395-M399 PolarHBondContact O-N 2.92Å; M399-N401 VanDerWaalsContact C-N 3.35Å; M399-N401 PolarHBondContact O-N 3.2Å; M399-H402 PolarHBondContact O-N 2.95Å; M399-L403 HydrophobicContact CE-CD1 4.14Å; M399-L403 PolarHBondContact O-N 3.13Å; M399-L403 WeakPolarHBondContact O-CG 3.28Å; M399-L403 HydrophobicContact CG-CD1 4.1Å; M399-L403 HydrophobicContact CG-CG 4.46Å |
| 400 | K | 96.3 | Very high | 86 | Confident | 31 Ų | 31 | 59.5 Ų | 59.5 | 14% | 0.135 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -59.4 | -47.1 | 176.7 | 179.9 | -178.5 | 176.4 | 179.6 | 0 | 110.7 | E211 Y214 L362 Y396 Y397 H402 L403 T404 | E211-K400 IonicContact OE1-NZ 2.64Å; E211-K400 PolarHBondContact OE1-NZ 3.26Å; E211-K400 IonicContact OE2-NZ 3.32Å; E211-K400 PolarHBondContact OE2-NZ 3.19Å; Y214-K400 HydrophobicContact CE1-CD 4.11Å; Y214-K400 VanDerWaalsContact CE1-CE 3.48Å; Y214-K400 HydrophobicContact CE1-CG 4.35Å; L362-K400 HydrophobicContact CD1-CB 4.38Å; L362-K400 HydrophobicContact CD2-CB 4.06Å; Y396-K400 HydrophobicContact CE1-CD 4.14Å; Y396-K400 VanDerWaalsContact O-CB 3.22Å; Y396-K400 WeakPolarHBondContact O-CB 3.45Å; Y396-K400 PolarHBondContact O-N 3.38Å; Y397-K400 PolarHBondContact O-N 2.78Å; K400-H402 VanDerWaalsContact C-N 3.34Å; K400-H402 PolarHBondContact O-N 3.22Å; K400-L403 PolarHBondContact O-N 3.16Å; K400-T404 WeakPolarHBondContact O-CG2 3.4Å; K400-T404 PolarHBondContact O-N 3Å; K400-T404 PolarHBondContact O-OG1 2.81Å; K400-T404 VanDerWaalsContact O-OG1 3.11Å |
| 401 | N | 93.6 | Very high | 85.3 | Confident | 99 Ų | 99 | 62.4 Ų | 62.4 | 53% | 0.529 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -59.1 | -46.1 | 178.7 | -71 | -20.5 | 0 | 0 | 0 | 111.2 | Y397 S398 M399 T404 T405 | Y397-N401 PolarHBondContact O-N 3.34Å; Y397-N401 PolarHBondContact O-ND2 2.98Å; S398-N401 PolarHBondContact O-N 2.93Å; M399-N401 VanDerWaalsContact C-N 3.35Å; M399-N401 PolarHBondContact O-N 3.2Å; N401-T404 PolarHBondContact O-N 2.8Å; N401-T404 PolarHBondContact O-OG1 3.16Å; N401-T404 WeakPolarHBondContact CA-OG1 3.3Å; N401-T405 WeakPolarHBondContact O-CG2 3.45Å; N401-T405 PolarHBondContact O-N 3.28Å; N401-T405 VanDerWaalsContact O-N 3.08Å; N401-T405 PolarHBondContact O-OG1 3.41Å |
| 402 | H | 88.7 | Confident | 84.6 | Confident | 111 Ų | 111 | 64.4 Ų | 64.4 | 51% | 0.514 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -58.9 | -50.6 | 176.9 | -164.5 | 84.7 | 0 | 0 | 0 | 111.6 | S398 M399 K400 T404 T405 F406 | S398-H402 PolarHBondContact O-N 3.02Å; M399-H402 PolarHBondContact O-N 2.95Å; K400-H402 VanDerWaalsContact C-N 3.34Å; K400-H402 PolarHBondContact O-N 3.22Å; H402-T404 VanDerWaalsContact C-N 3.27Å; H402-T404 PolarHBondContact O-N 3.3Å; H402-T405 PolarHBondContact O-N 2.83Å; H402-T405 PolarHBondContact O-OG1 3.08Å; H402-T405 VanDerWaalsContact O-N 3.17Å; H402-F406 AromaticContact CD2-CD2 3.83Å; H402-F406 PolarHBondContact O-N 3.17Å; H402-F406 WeakPolarHBondContact O-CD2 3.48Å; H402-F406 VanDerWaalsContact O-CD2 3.28Å; H402-F406 WeakPolarHBondContact NE2-CE2 3.33Å; H402-F406 VanDerWaalsContact NE2-CE2 3.33Å; H402-F406 AromaticContact NE2-CE2 3.33Å; H402-F406 AromaticContact NE2-CD2 3.73Å; H402-F406 AromaticContact ND1-CE2 3.66Å; H402-F406 WeakPolarHBondContact CE1-CE2 3.23Å; H402-F406 AromaticContact CE1-CE2 3.23Å; H402-F406 AromaticContact CE1-CD2 3.99Å; H402-F406 AromaticContact CD2-CE2 3.85Å |
| 403 | L | 84.6 | Confident | 83.7 | Confident | 34 Ų | 34 | 68.4 Ų | 68.4 | 18% | 0.178 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -65.4 | -28.2 | -179.4 | -66.9 | 175.4 | 0 | 0 | 0 | 113.5 | N358 L362 M399 K400 N407 | N358-L403 HydrophobicContact CB-CD1 4.13Å; N358-L403 HydrophobicContact CB-CD2 4.25Å; L362-L403 HydrophobicContact CD1-CD1 3.88Å; L362-L403 HydrophobicContact CD2-CD1 4.42Å; L362-L403 HydrophobicContact CG-CD1 4.02Å; M399-L403 HydrophobicContact CE-CD1 4.14Å; M399-L403 PolarHBondContact O-N 3.13Å; M399-L403 WeakPolarHBondContact O-CG 3.28Å; M399-L403 HydrophobicContact CG-CD1 4.1Å; M399-L403 HydrophobicContact CG-CG 4.46Å; K400-L403 PolarHBondContact O-N 3.16Å; L403-N407 PolarHBondContact O-ND2 2.87Å |
| 404 | T | 77.9 | Confident | 82.7 | Confident | 61 Ų | 61 | 72.9 Ų | 72.9 | 37% | 0.374 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -75.4 | -34 | 174.1 | 52.2 | 0 | 0 | 0 | 0 | 113.2 | K400 N401 H402 S408 | K400-T404 WeakPolarHBondContact O-CG2 3.4Å; K400-T404 PolarHBondContact O-N 3Å; K400-T404 PolarHBondContact O-OG1 2.81Å; K400-T404 VanDerWaalsContact O-OG1 3.11Å; N401-T404 PolarHBondContact O-N 2.8Å; N401-T404 PolarHBondContact O-OG1 3.16Å; N401-T404 WeakPolarHBondContact CA-OG1 3.3Å; H402-T404 VanDerWaalsContact C-N 3.27Å; H402-T404 PolarHBondContact O-N 3.3Å; T404-S408 PolarHBondContact O-OG 3.27Å |
| 405 | T | 67 | Low | 81.6 | Confident | 87 Ų | 87 | 71.6 Ų | 71.6 | 53% | 0.534 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -75.5 | -22.3 | 179.7 | 48.4 | 0 | 0 | 0 | 0 | 114.1 | N401 H402 S408 | N401-T405 WeakPolarHBondContact O-CG2 3.45Å; N401-T405 PolarHBondContact O-N 3.28Å; N401-T405 VanDerWaalsContact O-N 3.08Å; N401-T405 PolarHBondContact O-OG1 3.41Å; H402-T405 PolarHBondContact O-N 2.83Å; H402-T405 PolarHBondContact O-OG1 3.08Å; H402-T405 VanDerWaalsContact O-N 3.17Å; T405-S408 PolarHBondContact O-OG 3.41Å |
| 406 | F | 56.2 | Low | 80.3 | Confident | 146 Ų | 146 | 74.4 Ų | 74.4 | 64% | 0.64 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -91.3 | -15.6 | 178.7 | -81.8 | -82.5 | 0 | 0 | 0 | 114 | H402 | H402-F406 AromaticContact CD2-CD2 3.83Å; H402-F406 PolarHBondContact O-N 3.17Å; H402-F406 WeakPolarHBondContact O-CD2 3.48Å; H402-F406 VanDerWaalsContact O-CD2 3.28Å; H402-F406 WeakPolarHBondContact NE2-CE2 3.33Å; H402-F406 VanDerWaalsContact NE2-CE2 3.33Å; H402-F406 AromaticContact NE2-CE2 3.33Å; H402-F406 AromaticContact NE2-CD2 3.73Å; H402-F406 AromaticContact ND1-CE2 3.66Å; H402-F406 WeakPolarHBondContact CE1-CE2 3.23Å; H402-F406 AromaticContact CE1-CE2 3.23Å; H402-F406 AromaticContact CE1-CD2 3.99Å; H402-F406 AromaticContact CD2-CE2 3.85Å |
| 407 | N | 48.8 | Very low | 78.8 | Confident | 110 Ų | 110 | 80.5 Ų | 80.5 | 59% | 0.588 | 44% | 0.441 | S | S | * | . | trans | -100.6 | -1.9 | 178.3 | -73.2 | -40.6 | 0 | 0 | 0 | 113.5 | L403 | L403-N407 PolarHBondContact O-ND2 2.87Š| ||
| 408 | S | 41.1 | Very low | 77 | Confident | 144 Ų | 144 | 82.6 Ų | 82.6 | 100% | 1.007 | 46% | 0.46 | S | S | * | . | trans | -101.8 | 0 | 171.1 | 62.8 | 0 | 0 | 0 | 0 | 110.4 | T404 T405 | T404-S408 PolarHBondContact O-OG 3.27Å; T405-S408 PolarHBondContact O-OG 3.41Å |
Retrieved 408 of 408 residues in 853.2 ms
(Link to these results)