| 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 | 28.8 | Very low | 48.4 | Very low | 232 Ų | 232 | 111.3 Ų | 111.3 | 100% | 1.143 | 69% | 0.686 | S | S | * | * | 0 | 103.6 | 0 | -70.4 | -86 | -91.5 | 0 | 0 | 106 | A3 | M1-A3 PolarHBondContact O-N 3.46Š| |||
| 2 | P | 34.8 | Very low | 52.5 | Low | 134 Ų | 134 | 104.5 Ų | 104.5 | 87% | 0.87 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 132.3 | -174.4 | 28.9 | -29.2 | 0 | 0 | 0 | 108.9 | ||
| 3 | A | 35.4 | Very low | 56 | Low | 97 Ų | 97 | 98.3 Ų | 98.3 | 80% | 0.802 | 60% | 0.604 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 141.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | M1 L5 | M1-A3 PolarHBondContact O-N 3.46Å; A3-L5 PolarHBondContact O-N 2.79Å |
| 4 | A | 37 | Very low | 59 | Low | 96 Ų | 96 | 96.5 Ų | 96.5 | 79% | 0.793 | 59% | 0.586 | S | S | * | * | P | Polyproline II helix | trans | -47.6 | 132.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | A6 | A4-A6 PolarHBondContact O-N 3.05Š|
| 5 | L | 39.7 | Very low | 61.7 | Low | 176 Ų | 176 | 90.1 Ų | 90.1 | 92% | 0.921 | 55% | 0.547 | S | S | * | . | trans | -50.6 | 104.5 | 171.5 | -71.9 | 154.7 | 0 | 0 | 0 | 108.1 | A3 D7 | A3-L5 PolarHBondContact O-N 2.79Å; L5-D7 PolarHBondContact O-N 3.48Å | ||
| 6 | A | 41.8 | Very low | 64 | Low | 74 Ų | 74 | 85.6 Ų | 85.6 | 61% | 0.612 | 52% | 0.517 | S | S | * | . | trans | -53.6 | 136.8 | 166.4 | 0 | 0 | 0 | 0 | 0 | 107.6 | A4 S8 | A4-A6 PolarHBondContact O-N 3.05Å; A6-S8 PolarHBondContact O-N 3.33Å | ||
| 7 | D | 46.1 | Very low | 66 | Low | 101 Ų | 101 | 83.8 Ų | 83.8 | 54% | 0.54 | 51% | 0.513 | S | S | . | . | trans | -52.2 | 114.8 | 176.7 | -176.2 | 5.4 | 0 | 0 | 0 | 108.6 | L5 S9 Q10 | L5-D7 PolarHBondContact O-N 3.48Å; D7-S9 PolarHBondContact O-N 3Å; D7-S9 PolarHBondContact OD1-N 2.81Å; D7-S9 PolarHBondContact OD1-OG 2.69Å; D7-S9 PolarHBondContact OD2-OG 3.48Å; D7-Q10 PolarHBondContact O-N 3.47Å | ||
| 8 | S | 54.3 | Low | 67.9 | Low | 85 Ų | 85 | 85.2 Ų | 85.2 | 59% | 0.594 | 53% | 0.527 | S | S | * | . | G | 310 helix | trans | -59 | -16.6 | -174.4 | 48.8 | 0 | 0 | 0 | 0 | 112.7 | A6 Q10 | A6-S8 PolarHBondContact O-N 3.33Å; S8-Q10 PolarHBondContact O-N 2.98Å |
| 9 | S | 54.4 | Low | 69.5 | Low | 78 Ų | 78 | 82.4 Ų | 82.4 | 55% | 0.545 | 51% | 0.508 | S | S | . | . | G | 310 helix | trans | -64.3 | -19.9 | 174 | 76 | 0 | 0 | 0 | 0 | 114 | D7 | D7-S9 PolarHBondContact O-N 3Å; D7-S9 PolarHBondContact OD1-N 2.81Å; D7-S9 PolarHBondContact OD1-OG 2.69Å; D7-S9 PolarHBondContact OD2-OG 3.48Å |
| 10 | Q | 68.8 | Low | 71 | Confident | 119 Ų | 119 | 78.3 Ų | 78.3 | 56% | 0.556 | 48% | 0.483 | S | S | * | . | G | 310 helix | trans | -95.9 | -8.6 | -177.8 | -70.3 | -172 | -25.3 | 0 | 0 | 114.5 | D7 S8 T92 | D7-Q10 PolarHBondContact O-N 3.47Å; S8-Q10 PolarHBondContact O-N 2.98Å; Q10-T92 WeakPolarHBondContact O-CA 3.46Å; Q10-T92 PolarHBondContact O-OG1 2.76Å |
| 11 | I | 91.4 | Very high | 72.3 | Confident | 32 Ų | 32 | 79.8 Ų | 79.8 | 16% | 0.164 | 48% | 0.484 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -47.3 | -173.7 | -62.3 | 177.1 | 0 | 0 | 0 | 111.2 | T93 T94 I221 L232 | I11-T93 VanDerWaalsContact CG2-OG1 3.31Å; I11-T93 WeakPolarHBondContact CG2-OG1 3.37Å; I11-T93 PolarHBondContact O-N 2.92Å; I11-T93 PolarHBondContact O-OG1 3.27Å; I11-T94 PolarHBondContact O-N 3.06Å; I11-T94 VanDerWaalsContact O-N 3.09Å; I11-I221 HydrophobicContact CD1-CD1 4.26Å; I11-I221 HydrophobicContact CD1-CG2 4.11Å; I11-I221 HydrophobicContact CG2-CG2 4.38Å; I11-L232 HydrophobicContact CG2-CD2 4Å |
| 12 | I | 97.5 | Very high | 75.6 | Confident | 30 Ų | 30 | 73.4 Ų | 73.4 | 15% | 0.154 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 115 | -179.6 | -57.2 | 173.9 | 0 | 0 | 0 | 108.5 | T94 Q96 | I12-T94 CarbonylContact C-O 3Å; I12-T94 WeakPolarHBondContact CA-O 3.37Å; I12-T94 HydrophobicContact CG1-CG2 4.07Å; I12-T94 HydrophobicContact CG2-CG2 4.21Å; I12-Q96 HydrophobicContact CG2-CB 4.08Å |
| 13 | C | 98.1 | Very high | 78.6 | Confident | 24 Ų | 24 | 67.5 Ų | 67.5 | 16% | 0.162 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 122.8 | 176.4 | -179.1 | 0 | 0 | 0 | 0 | 110.6 | T92 T94 Q96 | C13-T92 HydrophobicContact CB-CG2 3.48Å; C13-T92 VanDerWaalsContact CB-CG2 3.48Å; C13-T94 PolarHBondContact N-O 3.37Å; C13-Q96 PolarHBondContact O-N 3.07Å |
| 14 | E | 98.4 | Very high | 81.7 | Confident | 73 Ų | 73 | 63 Ų | 63 | 34% | 0.341 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 121.9 | 170.9 | -64.6 | -60.6 | 134.3 | 0 | 0 | 110.4 | N19 Q96 N98 | E14-N19 PolarHBondContact O-ND2 3.1Å; E14-N19 VanDerWaalsContact O-ND2 3.07Å; E14-Q96 PolarHBondContact OE1-NE2 2.99Å; E14-Q96 PolarHBondContact OE2-NE2 3.35Å; E14-Q96 VanDerWaalsContact OE2-NE2 3.09Å; E14-N98 PolarHBondContact OE2-ND2 3.33Å |
| 15 | V | 98.8 | Very high | 84.6 | Confident | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 127.3 | 179 | -161.9 | 0 | 0 | 0 | 0 | 109.5 | N19 V20 E23 W95 Q96 F97 N98 I131 | V15-N19 WeakPolarHBondContact CA-OD1 3.04Å; V15-V20 HydrophobicContact CG1-CB 3.91Å; V15-V20 HydrophobicContact CG1-CG2 4.09Å; V15-E23 HydrophobicContact CG1-CB 4.17Å; V15-E23 HydrophobicContact CG1-CG 4.24Å; V15-E23 HydrophobicContact CG2-CB 4.21Å; V15-E23 HydrophobicContact CG2-CG 4.13Å; V15-W95 HydrophobicContact CG2-CB 4.05Å; V15-W95 HydrophobicContact CG2-CG 4.23Å; V15-Q96 PolarHBondContact N-O 2.8Å; V15-F97 HydrophobicContact CB-CD1 3.7Å; V15-F97 HydrophobicContact CB-CE1 4.06Å; V15-F97 HydrophobicContact CB-CG 4.33Å; V15-F97 HydrophobicContact CG1-CD1 3.74Å; V15-F97 HydrophobicContact CG1-CE1 3.85Å; V15-F97 HydrophobicContact CG2-CD1 4.02Å; V15-F97 HydrophobicContact CG2-CE1 3.98Å; V15-F97 HydrophobicContact CG2-CZ 4.45Å; V15-N98 WeakPolarHBondContact O-CB 3.41Å; V15-N98 PolarHBondContact O-N 3.46Å; V15-N98 PolarHBondContact O-ND2 2.81Å; V15-N98 VanDerWaalsContact O-ND2 3.11Å; V15-I131 HydrophobicContact CB-CD1 4.26Å; V15-I131 HydrophobicContact CG1-CD1 4.01Å |
| 16 | W | 98.9 | Very high | 87.4 | Confident | 19 Ų | 19 | 59.9 Ų | 59.9 | 7% | 0.072 | 33% | 0.332 | C | S | . | . | trans | -128.3 | 176.3 | 179.2 | -60.6 | 90.3 | 0 | 0 | 0 | 108.8 | S18 N19 V20 N98 K125 E129 I131 | W16-S18 PolarHBondContact O-N 2.89Å; W16-S18 VanDerWaalsContact O-N 3.11Å; W16-N19 PolarHBondContact N-OD1 3.13Å; W16-N19 PolarHBondContact O-N 3.02Å; W16-N19 PolarHBondContact O-OD1 3Å; W16-V20 PolarHBondContact O-N 3.36Å; W16-N98 HydrophobicContact CD2-CB 3.85Å; W16-N98 HydrophobicContact CE3-CB 3.54Å; W16-N98 HydrophobicContact CH2-CB 3.45Å; W16-N98 VanDerWaalsContact CH2-CB 3.45Å; W16-N98 VanDerWaalsContact CH2-CG 3.5Å; W16-N98 HydrophobicContact CZ2-CB 3.76Å; W16-N98 WeakPolarHBondContact CZ2-ND2 3.47Å; W16-N98 HydrophobicContact CZ3-CB 3.33Å; W16-K125 HydrophobicContact CD2-CD 4.31Å; W16-K125 VanDerWaalsContact CE2-NZ 3.27Å; W16-K125 HydrophobicContact CE3-CD 4.33Å; W16-K125 HydrophobicContact CE3-CG 4.12Å; W16-K125 HydrophobicContact CH2-CB 4.08Å; W16-K125 HydrophobicContact CH2-CD 3.69Å; W16-K125 HydrophobicContact CH2-CG 3.82Å; W16-K125 HydrophobicContact CZ2-CD 3.64Å; W16-K125 HydrophobicContact CZ2-CG 4.27Å; W16-K125 HydrophobicContact CZ3-CB 4.15Å; W16-K125 HydrophobicContact CZ3-CD 4.03Å; W16-K125 HydrophobicContact CZ3-CG 3.73Å; W16-K125 VanDerWaalsContact NE1-NZ 3.2Å; W16-E129 HydrophobicContact CE3-CB 4.09Å; W16-I131 VanDerWaalsContact C-CG1 3.41Å | ||
| 17 | A | 98.8 | Very high | 90.1 | Very high | 55 Ų | 55 | 56.3 Ų | 56.3 | 46% | 0.455 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -31.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113 | N19 E129 | A17-N19 PolarHBondContact O-N 2.95Å; A17-E129 WeakPolarHBondContact CB-O 3.34Å; A17-E129 PolarHBondContact N-O 2.9Å |
| 18 | S | 98.7 | Very high | 92.6 | Very high | 108 Ų | 108 | 55.8 Ų | 55.8 | 76% | 0.755 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -24.2 | -176.6 | 56.7 | 0 | 0 | 0 | 0 | 114.9 | W16 | W16-S18 PolarHBondContact O-N 2.89Å; W16-S18 VanDerWaalsContact O-N 3.11Å |
| 19 | N | 98.8 | Very high | 94.7 | Very high | 32 Ų | 32 | 58 Ų | 58 | 17% | 0.171 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -125.5 | -0.2 | -176.6 | 70.1 | -26.1 | 0 | 0 | 0 | 114.5 | E14 V15 W16 A17 E21 E22 E23 | E14-N19 PolarHBondContact O-ND2 3.1Å; E14-N19 VanDerWaalsContact O-ND2 3.07Å; V15-N19 WeakPolarHBondContact CA-OD1 3.04Å; W16-N19 PolarHBondContact N-OD1 3.13Å; W16-N19 PolarHBondContact O-N 3.02Å; W16-N19 PolarHBondContact O-OD1 3Å; A17-N19 PolarHBondContact O-N 2.95Å; N19-E21 VanDerWaalsContact C-N 3.29Å; N19-E21 PolarHBondContact O-N 3.03Å; N19-E22 WeakPolarHBondContact O-CB 3.48Å; N19-E22 PolarHBondContact O-N 3.24Å; N19-E23 PolarHBondContact O-N 3.49Å |
| 20 | V | 98.9 | Very high | 96.7 | Very high | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.006 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -54.9 | -40.1 | -177 | 68.2 | 0 | 0 | 0 | 0 | 113.5 | V15 W16 E22 M24 F97 I131 Y135 F136 L139 | V15-V20 HydrophobicContact CG1-CB 3.91Å; V15-V20 HydrophobicContact CG1-CG2 4.09Å; W16-V20 PolarHBondContact O-N 3.36Å; V20-E22 PolarHBondContact O-N 3.14Å; V20-M24 HydrophobicContact CG2-CG 4.14Å; V20-M24 VanDerWaalsContact O-CB 3.25Å; V20-M24 WeakPolarHBondContact O-CB 3.46Å; V20-M24 WeakPolarHBondContact O-CG 3.44Å; V20-M24 PolarHBondContact O-N 3.47Å; V20-F97 HydrophobicContact CG2-CD1 4.48Å; V20-F97 HydrophobicContact CG2-CE1 4.42Å; V20-I131 HydrophobicContact CB-CD1 4.26Å; V20-I131 HydrophobicContact CB-CG1 4.37Å; V20-I131 HydrophobicContact CG2-CD1 4.08Å; V20-I131 HydrophobicContact CG2-CG2 4.31Å; V20-Y135 HydrophobicContact CG1-CD1 4.22Å; V20-Y135 HydrophobicContact CG1-CE1 3.81Å; V20-F136 HydrophobicContact CG2-CD2 4.26Å; V20-L139 HydrophobicContact CG1-CD1 4.13Å; V20-L139 HydrophobicContact CG2-CD1 3.88Å |
| 21 | E | 98.7 | Very high | 98.1 | Very high | 110 Ų | 110 | 50.5 Ų | 50.5 | 51% | 0.514 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -64.6 | -40.1 | 176.6 | -74.9 | -166.6 | -146.9 | 0 | 0 | 113 | N19 R25 Y135 | N19-E21 VanDerWaalsContact C-N 3.29Å; N19-E21 PolarHBondContact O-N 3.03Å; E21-R25 PolarHBondContact O-N 2.9Å; E21-R25 VanDerWaalsContact O-N 3.14Å; E21-Y135 HydrophobicContact CG-CE1 4.34Å; E21-Y135 WeakPolarHBondContact CG-OH 3.46Å; E21-Y135 PolarHBondContact OE1-OH 3.27Å |
| 22 | E | 98.6 | Very high | 98.3 | Very high | 98 Ų | 98 | 56.4 Ų | 56.4 | 46% | 0.458 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -65.4 | -47.3 | 179.8 | -172.4 | -172 | 149.2 | 0 | 0 | 110.6 | N19 V20 R25 K26 | N19-E22 WeakPolarHBondContact O-CB 3.48Å; N19-E22 PolarHBondContact O-N 3.24Å; V20-E22 PolarHBondContact O-N 3.14Å; E22-R25 WeakPolarHBondContact O-CB 3.49Å; E22-R25 PolarHBondContact O-N 3.04Å; E22-K26 PolarHBondContact O-N 3.05Å; E22-K26 WeakPolarHBondContact OE1-CE 3.25Å; E22-K26 IonicContact OE1-NZ 2.81Å; E22-K26 PolarHBondContact OE1-NZ 3.49Å |
| 23 | E | 98.7 | Very high | 98.4 | Very high | 10 Ų | 10 | 58.8 Ų | 58.8 | 5% | 0.047 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -69.7 | -39.7 | -178.2 | -63.1 | -46.9 | 126.7 | 0 | 0 | 111.8 | V15 N19 R25 K26 I27 W95 | V15-E23 HydrophobicContact CG1-CB 4.17Å; V15-E23 HydrophobicContact CG1-CG 4.24Å; V15-E23 HydrophobicContact CG2-CB 4.21Å; V15-E23 HydrophobicContact CG2-CG 4.13Å; N19-E23 PolarHBondContact O-N 3.49Å; E23-R25 PolarHBondContact O-N 3.21Å; E23-K26 WeakPolarHBondContact O-CB 3.44Å; E23-K26 PolarHBondContact O-N 3.49Å; E23-K26 IonicContact OE1-NZ 2.69Å; E23-K26 PolarHBondContact OE1-NZ 2.84Å; E23-K26 WeakPolarHBondContact OE2-CD 3.48Å; E23-K26 IonicContact OE2-NZ 3.54Å; E23-I27 WeakPolarHBondContact O-CG1 3.17Å; E23-I27 PolarHBondContact O-N 2.79Å; E23-W95 PolarHBondContact OE2-NE1 3.2Å |
| 24 | M | 98.7 | Very high | 98.4 | Very high | 1 Ų | 1 | 59.9 Ų | 59.9 | 1% | 0.005 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.1 | -30.9 | 173.7 | -73.3 | -59.1 | -67.9 | 0 | 0 | 112.4 | V20 I27 R28 F97 F136 L139 | V20-M24 HydrophobicContact CG2-CG 4.14Å; V20-M24 VanDerWaalsContact O-CB 3.25Å; V20-M24 WeakPolarHBondContact O-CB 3.46Å; V20-M24 WeakPolarHBondContact O-CG 3.44Å; V20-M24 PolarHBondContact O-N 3.47Å; M24-I27 PolarHBondContact O-N 2.93Å; M24-I27 HydrophobicContact SD-CD1 3.93Å; M24-R28 VanDerWaalsContact O-CG 3.25Å; M24-R28 WeakPolarHBondContact O-CG 3.25Å; M24-R28 PolarHBondContact O-N 3.04Å; M24-F97 HydrophobicContact SD-CE1 4.01Å; M24-F97 HydrophobicContact SD-CZ 3.97Å; M24-F136 HydrophobicContact SD-CE2 4.17Å; M24-L139 HydrophobicContact CE-CB 4.1Å; M24-L139 HydrophobicContact CG-CB 4.13Å; M24-L139 HydrophobicContact CG-CD1 4.05Å |
| 25 | R | 98.5 | Very high | 98.4 | Very high | 132 Ų | 132 | 58.3 Ų | 58.3 | 50% | 0.498 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -65 | -39.7 | 172.9 | -170.3 | -176 | -60.8 | 103 | 4.7 | 112.1 | E21 E22 E23 | E21-R25 PolarHBondContact O-N 2.9Å; E21-R25 VanDerWaalsContact O-N 3.14Å; E22-R25 WeakPolarHBondContact O-CB 3.49Å; E22-R25 PolarHBondContact O-N 3.04Å; E23-R25 PolarHBondContact O-N 3.21Å |
| 26 | K | 98.3 | Very high | 98.4 | Very high | 75 Ų | 75 | 58.7 Ų | 58.7 | 33% | 0.326 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -68 | -45 | 176.3 | -64 | 169.6 | -170.5 | 159.9 | 0 | 110.5 | E22 E23 R28 Q29 I30 | E22-K26 PolarHBondContact O-N 3.05Å; E22-K26 WeakPolarHBondContact OE1-CE 3.25Å; E22-K26 IonicContact OE1-NZ 2.81Å; E22-K26 PolarHBondContact OE1-NZ 3.49Å; E23-K26 WeakPolarHBondContact O-CB 3.44Å; E23-K26 PolarHBondContact O-N 3.49Å; E23-K26 IonicContact OE1-NZ 2.69Å; E23-K26 PolarHBondContact OE1-NZ 2.84Å; E23-K26 WeakPolarHBondContact OE2-CD 3.48Å; E23-K26 IonicContact OE2-NZ 3.54Å; K26-R28 VanDerWaalsContact C-N 3.33Å; K26-R28 PolarHBondContact O-N 3.07Å; K26-Q29 WeakPolarHBondContact O-CB 3.46Å; K26-Q29 PolarHBondContact O-N 3.11Å; K26-I30 WeakPolarHBondContact O-CG1 3.4Å; K26-I30 PolarHBondContact O-N 3.42Å |
| 27 | I | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -57 | -44 | 177.2 | -74 | 169 | 0 | 0 | 0 | 111.9 | E23 M24 Q29 I30 I31 F81 W95 F97 L145 | E23-I27 WeakPolarHBondContact O-CG1 3.17Å; E23-I27 PolarHBondContact O-N 2.79Å; M24-I27 PolarHBondContact O-N 2.93Å; M24-I27 HydrophobicContact SD-CD1 3.93Å; I27-Q29 PolarHBondContact O-N 2.99Å; I27-Q29 VanDerWaalsContact O-N 3.13Å; I27-I30 PolarHBondContact O-N 2.9Å; I27-I30 VanDerWaalsContact O-N 3.1Å; I27-I31 WeakPolarHBondContact O-CG2 3.47Å; I27-I31 PolarHBondContact O-N 2.99Å; I27-F81 HydrophobicContact CB-CZ 4.31Å; I27-F81 HydrophobicContact CD1-CE2 4.36Å; I27-F81 HydrophobicContact CD1-CZ 4.32Å; I27-F81 HydrophobicContact CG1-CE2 4.1Å; I27-F81 HydrophobicContact CG1-CZ 3.98Å; I27-F81 HydrophobicContact CG2-CE1 3.96Å; I27-F81 HydrophobicContact CG2-CE2 4.5Å; I27-F81 HydrophobicContact CG2-CZ 3.56Å; I27-W95 HydrophobicContact CD1-CB 4.26Å; I27-W95 HydrophobicContact CD1-CD2 3.86Å; I27-W95 HydrophobicContact CD1-CE3 4.4Å; I27-W95 HydrophobicContact CD1-CG 3.77Å; I27-W95 HydrophobicContact CG1-CD2 3.87Å; I27-W95 HydrophobicContact CG1-CE3 4.16Å; I27-W95 HydrophobicContact CG1-CG 4.31Å; I27-W95 HydrophobicContact CG1-CZ2 4.32Å; I27-F97 HydrophobicContact CD1-CE2 4.34Å; I27-F97 HydrophobicContact CD1-CZ 3.58Å; I27-L145 HydrophobicContact CG2-CD1 3.7Å; I27-L145 HydrophobicContact CG2-CG 4.27Å |
| 28 | R | 98.5 | Very high | 98.4 | Very high | 90 Ų | 90 | 55.2 Ų | 55.2 | 34% | 0.34 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -57.8 | -25.9 | 175.9 | -75.9 | 171.9 | -169.6 | 171.5 | 3.7 | 113.9 | M24 K26 Q32 L139 | M24-R28 VanDerWaalsContact O-CG 3.25Å; M24-R28 WeakPolarHBondContact O-CG 3.25Å; M24-R28 PolarHBondContact O-N 3.04Å; K26-R28 VanDerWaalsContact C-N 3.33Å; K26-R28 PolarHBondContact O-N 3.07Å; R28-Q32 PolarHBondContact O-NE2 3.23Å; R28-L139 PolarHBondContact NH2-O 3.23Å |
| 29 | Q | 97.9 | Very high | 98.4 | Very high | 132 Ų | 132 | 50 Ų | 50 | 62% | 0.617 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -84.9 | -44.1 | 174.6 | -63.3 | 177.2 | -12.5 | 0 | 0 | 110.9 | K26 I27 I31 Q32 | K26-Q29 WeakPolarHBondContact O-CB 3.46Å; K26-Q29 PolarHBondContact O-N 3.11Å; I27-Q29 PolarHBondContact O-N 2.99Å; I27-Q29 VanDerWaalsContact O-N 3.13Å; Q29-I31 PolarHBondContact O-N 2.98Å; Q29-Q32 WeakPolarHBondContact O-CB 3.46Å; Q29-Q32 PolarHBondContact O-N 3.34Å |
| 30 | I | 97.4 | Very high | 98.4 | Very high | 30 Ų | 30 | 49.4 Ų | 49.4 | 15% | 0.154 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.2 | -42.3 | -176.9 | -71.7 | 173.8 | 0 | 0 | 0 | 111.9 | K26 I27 Q32 S33 Y34 F81 P89 W95 | K26-I30 WeakPolarHBondContact O-CG1 3.4Å; K26-I30 PolarHBondContact O-N 3.42Å; I27-I30 PolarHBondContact O-N 2.9Å; I27-I30 VanDerWaalsContact O-N 3.1Å; I30-Q32 PolarHBondContact O-N 2.78Å; I30-S33 PolarHBondContact O-N 2.94Å; I30-Y34 HydrophobicContact CG2-CD2 3.98Å; I30-Y34 HydrophobicContact CG2-CG 4.22Å; I30-Y34 PolarHBondContact O-N 3.45Å; I30-F81 HydrophobicContact CG2-CB 3.73Å; I30-F81 HydrophobicContact CG2-CD1 3.81Å; I30-F81 HydrophobicContact CG2-CG 3.82Å; I30-P89 HydrophobicContact CD1-CB 4.33Å; I30-P89 HydrophobicContact CD1-CG 4.41Å; I30-P89 HydrophobicContact CG1-CB 4.47Å; I30-P89 HydrophobicContact CG2-CB 4.25Å; I30-P89 HydrophobicContact CG2-CG 4.13Å; I30-W95 HydrophobicContact CD1-CH2 3.22Å; I30-W95 HydrophobicContact CD1-CZ2 3.88Å; I30-W95 HydrophobicContact CD1-CZ3 4.05Å |
| 31 | I | 98 | Very high | 98.4 | Very high | 9 Ų | 9 | 49.5 Ų | 49.5 | 5% | 0.046 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -19.4 | -176.5 | -166.2 | 55.5 | 0 | 0 | 0 | 113.4 | I27 Q29 S33 V37 F81 L145 V151 | I27-I31 WeakPolarHBondContact O-CG2 3.47Å; I27-I31 PolarHBondContact O-N 2.99Å; Q29-I31 PolarHBondContact O-N 2.98Å; I31-S33 VanDerWaalsContact C-N 3.32Å; I31-S33 PolarHBondContact O-N 3.37Å; I31-V37 HydrophobicContact CD1-CG2 3.69Å; I31-F81 HydrophobicContact CB-CE1 4.45Å; I31-F81 HydrophobicContact CD1-CD1 4.27Å; I31-F81 HydrophobicContact CD1-CE1 4.07Å; I31-L145 HydrophobicContact CD1-CD2 3.73Å; I31-L145 HydrophobicContact CG1-CD2 4.12Å; I31-L145 HydrophobicContact CG1-CG 4.42Å; I31-V151 HydrophobicContact CD1-CG1 4.13Å; I31-V151 HydrophobicContact CD1-CG2 3.94Å; I31-V151 HydrophobicContact CG1-CG2 4.08Å |
| 32 | Q | 96.7 | Very high | 98.4 | Very high | 155 Ų | 155 | 45.4 Ų | 45.4 | 72% | 0.724 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -25.7 | 177 | -57.5 | -177 | 7.4 | 0 | 0 | 113.2 | R28 Q29 I30 | R28-Q32 PolarHBondContact O-NE2 3.23Å; Q29-Q32 WeakPolarHBondContact O-CB 3.46Å; Q29-Q32 PolarHBondContact O-N 3.34Å; I30-Q32 PolarHBondContact O-N 2.78Å |
| 33 | S | 97.6 | Very high | 98.4 | Very high | 80 Ų | 80 | 42.6 Ų | 42.6 | 56% | 0.559 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -120 | -21.2 | -178.5 | -58.5 | 0 | 0 | 0 | 0 | 113.5 | I30 I31 N83 | I30-S33 PolarHBondContact O-N 2.94Å; I31-S33 VanDerWaalsContact C-N 3.32Å; I31-S33 PolarHBondContact O-N 3.37Å; S33-N83 WeakPolarHBondContact O-CB 3.5Å |
| 34 | Y | 98.6 | Very high | 98.3 | Very high | 48 Ų | 48 | 42.1 Ų | 42.1 | 19% | 0.188 | 20% | 0.195 | C | C | . | . | trans | -121.7 | 77.9 | -178.5 | -61.4 | -89.7 | 0 | 0 | 0 | 108.7 | I30 M82 N83 T87 Y88 P89 | I30-Y34 HydrophobicContact CG2-CD2 3.98Å; I30-Y34 HydrophobicContact CG2-CG 4.22Å; I30-Y34 PolarHBondContact O-N 3.45Å; Y34-M82 CarbonylContact C-O 3.59Å; Y34-M82 WeakPolarHBondContact CA-O 3.47Å; Y34-M82 WeakPolarHBondContact CB-O 3.45Å; Y34-N83 HydrophobicContact CD1-CB 3.89Å; Y34-N83 HydrophobicContact CE1-CB 4.27Å; Y34-T87 WeakPolarHBondContact CD1-O 3.23Å; Y34-Y88 WeakPolarHBondContact CE1-O 3.4Å; Y34-Y88 PolarHBondContact OH-O 3.31Å; Y34-P89 HydrophobicContact CD1-CB 4.38Å; Y34-P89 HydrophobicContact CD2-CB 3.9Å; Y34-P89 HydrophobicContact CE1-CB 4.24Å; Y34-P89 VanDerWaalsContact CE1-N 3.27Å; Y34-P89 HydrophobicContact CE2-CB 3.72Å; Y34-P89 HydrophobicContact CG-CB 4.23Å; Y34-P89 HydrophobicContact CG-CG 4.48Å | ||
| 35 | N | 98.3 | Very high | 98.1 | Very high | 39 Ų | 39 | 42.6 Ų | 42.6 | 21% | 0.209 | 20% | 0.201 | C | C | . | . | trans | -91.4 | 2.8 | -170.6 | 66.5 | -35.8 | 0 | 0 | 0 | 114.7 | M82 N150 V151 K152 | N35-M82 PolarHBondContact N-O 3.49Å; N35-N150 WeakPolarHBondContact CB-O 3.43Å; N35-N150 PolarHBondContact ND2-O 3Å; N35-V151 WeakPolarHBondContact O-CA 3.24Å; N35-K152 PolarHBondContact O-N 3.1Å | ||
| 36 | Y | 98.8 | Very high | 97.9 | Very high | 9 Ų | 9 | 39.3 Ų | 39.3 | 4% | 0.035 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 115.2 | 168.6 | -79 | -108.1 | 0 | 0 | 0 | 109.1 | M82 E84 K152 L154 F238 F239 | Y36-M82 WeakPolarHBondContact CB-O 3.25Å; Y36-M82 PolarHBondContact N-O 3.06Å; Y36-M82 PolarHBondContact O-N 3.15Å; Y36-E84 HydrophobicContact CE2-CB 3.96Å; Y36-E84 HydrophobicContact CE2-CG 4.31Å; Y36-K152 CarbonylContact C-O 3.57Å; Y36-K152 WeakPolarHBondContact CA-O 3.45Å; Y36-K152 HydrophobicContact CD1-CB 4.01Å; Y36-K152 HydrophobicContact CD1-CD 4.36Å; Y36-K152 HydrophobicContact CD2-CD 4.42Å; Y36-K152 HydrophobicContact CE1-CB 4.09Å; Y36-K152 HydrophobicContact CE1-CD 3.65Å; Y36-K152 HydrophobicContact CE2-CD 3.69Å; Y36-K152 HydrophobicContact CG-CB 4.27Å; Y36-K152 VanDerWaalsContact OH-CD 3.26Å; Y36-K152 WeakPolarHBondContact OH-CD 3.21Å; Y36-K152 PolarHBondContact OH-NZ 2.9Å; Y36-L154 HydrophobicContact CD1-CD1 4.08Å; Y36-L154 HydrophobicContact CD1-CD2 4.05Å; Y36-L154 HydrophobicContact CD1-CG 4.29Å; Y36-F238 HydrophobicContact CD1-CE1 4.26Å; Y36-F238 HydrophobicContact CE1-CE1 4.02Å; Y36-F238 HydrophobicContact CE1-CZ 4.45Å; Y36-F239 HydrophobicContact CD1-CE2 4.3Å; Y36-F239 AromaticContact CD1-CZ 3.71Å; Y36-F239 HydrophobicContact CD1-CZ 3.71Å; Y36-F239 HydrophobicContact CE1-CZ 4.15Å; Y36-F239 AromaticContact CG-CZ 3.91Å; Y36-F239 HydrophobicContact CG-CZ 3.91Å |
| 37 | V | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 103.5 | -174.5 | -175.5 | 0 | 0 | 0 | 0 | 108.7 | I31 L79 T80 F81 L145 V151 K152 W153 L154 | I31-V37 HydrophobicContact CD1-CG2 3.69Å; V37-L79 HydrophobicContact CG1-CB 4.41Å; V37-L79 HydrophobicContact CG1-CD2 3.99Å; V37-T80 CarbonylContact C-O 3.52Å; V37-T80 WeakPolarHBondContact CA-O 3.46Å; V37-F81 HydrophobicContact CG2-CD1 4.15Å; V37-F81 HydrophobicContact CG2-CE1 4.13Å; V37-L145 HydrophobicContact CG1-CD2 4.19Å; V37-L145 HydrophobicContact CG2-CD2 3.71Å; V37-V151 HydrophobicContact CG2-CG1 3.78Å; V37-K152 PolarHBondContact N-O 3Å; V37-W153 HydrophobicContact CB-CD2 4.36Å; V37-W153 HydrophobicContact CB-CE3 4.42Å; V37-W153 HydrophobicContact CG1-CD2 4.48Å; V37-W153 HydrophobicContact CG1-CE3 4.12Å; V37-W153 HydrophobicContact CG1-CH2 4.14Å; V37-W153 HydrophobicContact CG1-CZ2 4.48Å; V37-W153 HydrophobicContact CG1-CZ3 3.94Å; V37-W153 CarbonylContact O-C 3.45Å; V37-W153 WeakPolarHBondContact O-CA 3.43Å; V37-L154 PolarHBondContact O-N 3.38Å |
| 38 | A | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 138.6 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | L79 T80 M82 L154 S231 T234 | A38-L79 CarbonylContact O-C 3.56Å; A38-L79 WeakPolarHBondContact O-CA 3.42Å; A38-T80 PolarHBondContact N-O 2.95Å; A38-T80 PolarHBondContact O-N 2.88Å; A38-M82 HydrophobicContact CB-CE 3.61Å; A38-L154 CarbonylContact C-O 3.56Å; A38-L154 VanDerWaalsContact CA-O 3.27Å; A38-L154 WeakPolarHBondContact CA-O 3.41Å; A38-L154 HydrophobicContact CB-CB 3.99Å; A38-L154 HydrophobicContact CB-CD1 4.39Å; A38-S231 WeakPolarHBondContact CB-O 3Å; A38-T234 HydrophobicContact CB-CG2 4.41Å |
| 39 | M | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 147.7 | -171.1 | 179.9 | -81.7 | -68.8 | 0 | 0 | 111.7 | T41 L77 G78 L79 W153 L154 D161 F162 L165 | M39-T41 HydrophobicContact SD-CG2 3.84Å; M39-L77 HydrophobicContact CG-CD1 3.47Å; M39-L77 VanDerWaalsContact CG-CD1 3.47Å; M39-L77 HydrophobicContact SD-CD1 3.95Å; M39-G78 VanDerWaalsContact CA-O 3.27Å; M39-G78 WeakPolarHBondContact CA-O 3.5Å; M39-L79 HydrophobicContact CB-CD2 3.9Å; M39-L79 HydrophobicContact CG-CD2 3.69Å; M39-W153 HydrophobicContact CB-CE3 3.96Å; M39-W153 HydrophobicContact CB-CZ3 3.89Å; M39-W153 HydrophobicContact CG-CE3 4.41Å; M39-W153 HydrophobicContact CG-CZ3 3.98Å; M39-L154 PolarHBondContact N-O 3.5Å; M39-D161 HydrophobicContact CE-CB 3.52Å; M39-D161 HydrophobicContact SD-CB 3.68Å; M39-F162 HydrophobicContact CE-CD1 4.22Å; M39-F162 HydrophobicContact CE-CD2 4.33Å; M39-F162 HydrophobicContact CE-CE1 3.98Å; M39-F162 HydrophobicContact CE-CE2 4.1Å; M39-F162 HydrophobicContact CE-CG 4.39Å; M39-F162 HydrophobicContact CE-CZ 3.91Å; M39-L165 HydrophobicContact CE-CD1 3.84Å; M39-L165 HydrophobicContact CG-CD1 4.43Å; M39-L165 HydrophobicContact SD-CD1 4.39Å |
| 40 | D | 98.9 | Very high | 96.7 | Very high | 18 Ų | 18 | 40.2 Ų | 40.2 | 10% | 0.096 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 158 | 168.8 | -168.6 | 66.5 | 0 | 0 | 0 | 109.5 | G78 D230 | D40-G78 PolarHBondContact N-O 3.19Å; D40-G78 PolarHBondContact O-N 3.15Å; D40-D230 HydrophobicContact CB-CB 4.04Å; D40-D230 WeakPolarHBondContact OD2-CB 3.47Å |
| 41 | T | 98.8 | Very high | 96.2 | Very high | 4 Ų | 4 | 47.1 Ų | 47.1 | 3% | 0.025 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 150.3 | 176.6 | 72.6 | 0 | 0 | 0 | 0 | 112.8 | M39 I74 Q76 L77 D161 | M39-T41 HydrophobicContact SD-CG2 3.84Å; T41-I74 HydrophobicContact CG2-CD1 3.85Å; T41-Q76 WeakPolarHBondContact CA-O 3.48Å; T41-Q76 WeakPolarHBondContact CB-O 3.34Å; T41-L77 HydrophobicContact CG2-CD1 3.75Å; T41-D161 HydrophobicContact CG2-CB 3.97Å; T41-D161 PolarHBondContact N-OD1 2.64Å; T41-D161 PolarHBondContact OG1-OD1 3.3Å |
| 42 | E | 98.8 | Very high | 95.5 | Very high | 23 Ų | 23 | 49.3 Ų | 49.3 | 11% | 0.107 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 134.6 | 168.5 | -60.3 | -65.9 | 176.4 | 0 | 0 | 109.8 | I75 Q76 L116 H225 Q226 A227 | E42-I75 WeakPolarHBondContact O-CA 3.36Å; E42-I75 WeakPolarHBondContact O-CB 3.31Å; E42-I75 PolarHBondContact O-N 3.42Å; E42-Q76 HydrophobicContact CB-CB 4.07Å; E42-Q76 HydrophobicContact CG-CB 4.37Å; E42-Q76 PolarHBondContact N-O 3.42Å; E42-Q76 PolarHBondContact O-N 2.8Å; E42-L116 HydrophobicContact CB-CD2 3.97Å; E42-L116 HydrophobicContact CG-CD2 4.06Å; E42-L116 WeakPolarHBondContact OE2-CD2 3.34Å; E42-H225 VanDerWaalsContact OE1-CA 3.29Å; E42-H225 WeakPolarHBondContact OE1-CA 3.41Å; E42-Q226 PolarHBondContact OE1-N 3.5Å; E42-A227 HydrophobicContact CG-CB 4.1Å |
| 43 | F | 98.4 | Very high | 94.9 | Very high | 40 Ų | 40 | 51.5 Ų | 51.5 | 18% | 0.175 | 28% | 0.277 | C | S | . | . | trans | -151.6 | 165 | -175.8 | 61.9 | -95 | 0 | 0 | 0 | 110.2 | G45 Y160 Y164 | F43-G45 WeakPolarHBondContact CE2-O 3.5Å; F43-G45 PolarHBondContact O-N 3.06Å; F43-Y160 HydrophobicContact CE1-CG 4.42Å; F43-Y160 AromaticContact CE2-CD1 3.86Å; F43-Y160 HydrophobicContact CE2-CD1 3.86Å; F43-Y160 HydrophobicContact CE2-CE1 4.42Å; F43-Y160 HydrophobicContact CE2-CG 4.31Å; F43-Y160 AromaticContact CZ-CD1 3.76Å; F43-Y160 HydrophobicContact CZ-CD1 3.76Å; F43-Y160 AromaticContact CZ-CG 3.74Å; F43-Y160 HydrophobicContact CZ-CG 3.74Å; F43-Y164 HydrophobicContact CB-CD2 4.36Å; F43-Y164 HydrophobicContact CB-CE1 4.45Å; F43-Y164 HydrophobicContact CB-CE2 3.55Å; F43-Y164 WeakPolarHBondContact CB-OH 3.46Å; F43-Y164 AromaticContact CD1-CD2 3.99Å; F43-Y164 HydrophobicContact CD1-CD2 3.99Å; F43-Y164 AromaticContact CD1-CE2 3.5Å; F43-Y164 HydrophobicContact CD1-CE2 3.5Å; F43-Y164 VanDerWaalsContact CD1-CE2 3.5Å; F43-Y164 AromaticContact CD2-CE2 3.65Å; F43-Y164 HydrophobicContact CD2-CE2 3.65Å; F43-Y164 AromaticContact CD2-CZ 3.96Å; F43-Y164 WeakPolarHBondContact CD2-OH 3.45Å; F43-Y164 HydrophobicContact CE1-CD2 4.5Å; F43-Y164 HydrophobicContact CE1-CE2 4.04Å; F43-Y164 HydrophobicContact CE2-CE2 4.18Å; F43-Y164 HydrophobicContact CG-CD2 4.17Å; F43-Y164 AromaticContact CG-CE2 3.28Å; F43-Y164 HydrophobicContact CG-CE2 3.28Å; F43-Y164 AromaticContact CG-CZ 3.75Å; F43-Y164 HydrophobicContact CZ-CE2 4.36Å | ||
| 44 | P | 97.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 26% | 0.263 | C | S | . | . | trans | -81.6 | 35.2 | -166.7 | 33.4 | -36.9 | 0 | 0 | 0 | 114 | L72 K73 I75 F101 Y108 S109 I113 | P44-L72 HydrophobicContact CG-CB 4Å; P44-L72 HydrophobicContact CG-CD1 4.22Å; P44-L72 HydrophobicContact CG-CD2 4.12Å; P44-L72 HydrophobicContact CG-CG 4.34Å; P44-K73 WeakPolarHBondContact CD-O 3.43Å; P44-I75 HydrophobicContact CB-CD1 4.12Å; P44-I75 HydrophobicContact CG-CD1 4.46Å; P44-F101 HydrophobicContact CB-CE2 4.47Å; P44-F101 HydrophobicContact CB-CZ 4.04Å; P44-F101 HydrophobicContact CG-CE2 4Å; P44-F101 HydrophobicContact CG-CZ 4.02Å; P44-Y108 VanDerWaalsContact CB-CB 3.45Å; P44-S109 WeakPolarHBondContact O-CB 3.29Å; P44-S109 PolarHBondContact O-N 3.15Å; P44-I113 HydrophobicContact CB-CD1 4.17Å | ||
| 45 | G | 94.4 | Very high | 93.6 | Very high | 11 Ų | 11 | 57.4 Ų | 57.4 | 11% | 0.113 | 29% | 0.288 | C | S | . | . | trans | 75.6 | -142.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | F43 L72 S112 | F43-G45 WeakPolarHBondContact CE2-O 3.5Å; F43-G45 PolarHBondContact O-N 3.06Å; G45-L72 WeakPolarHBondContact O-CD1 3.46Å; G45-S112 WeakPolarHBondContact CA-OG 3.49Å | ||
| 46 | V | 93.9 | Very high | 93 | Very high | 62 Ų | 62 | 58.5 Ų | 58.5 | 38% | 0.376 | 30% | 0.299 | S | S | . | . | trans | -129.5 | 122.4 | -175.7 | 170.5 | 0 | 0 | 0 | 0 | 107.9 | L64 N68 Y160 | V46-L64 HydrophobicContact CG1-CD1 4.22Å; V46-N68 WeakPolarHBondContact CA-OD1 3.44Å; V46-Y160 HydrophobicContact CG2-CE1 4.14Å | ||
| 47 | V | 93.9 | Very high | 92.5 | Very high | 55 Ų | 55 | 63.3 Ų | 63.3 | 33% | 0.333 | 33% | 0.33 | S | S | . | . | trans | -114.8 | -20.9 | -174.9 | -62.3 | 0 | 0 | 0 | 0 | 113.2 | N68 L71 L72 | V47-N68 PolarHBondContact N-OD1 2.83Å; V47-L71 HydrophobicContact CG2-CD2 3.64Å; V47-L72 HydrophobicContact CG1-CD1 4.48Å; V47-L72 HydrophobicContact CG1-CD2 4.2Å; V47-L72 HydrophobicContact CG2-CD1 4.19Å; V47-L72 HydrophobicContact CG2-CD2 3.79Å; V47-L72 HydrophobicContact CG2-CG 4.22Å | ||
| 48 | V | 93.3 | Very high | 91.8 | Very high | 55 Ų | 55 | 65.1 Ų | 65.1 | 33% | 0.333 | 34% | 0.34 | S | S | . | . | trans | -127.6 | 153.5 | -178.7 | -70.6 | 0 | 0 | 0 | 0 | 111.9 | L64 C67 N68 L71 | V48-L64 WeakPolarHBondContact O-CD1 3.12Å; V48-C67 HydrophobicContact CG2-CB 4.23Å; V48-N68 WeakPolarHBondContact CG2-OD1 3.36Å; V48-N68 PolarHBondContact N-OD1 3.09Å; V48-N68 PolarHBondContact O-ND2 2.84Å; V48-L71 HydrophobicContact CG1-CD2 3.97Å; V48-L71 HydrophobicContact CG2-CD2 4.06Å | ||
| 49 | R | 92.5 | Very high | 91.3 | Very high | 177 Ų | 177 | 66.2 Ų | 66.2 | 67% | 0.668 | 35% | 0.346 | S | S | * | . | trans | -120.5 | 134.7 | 168.5 | -66.7 | -178.4 | -178.5 | -90 | -2.6 | 108.6 | L64 | R49-L64 HydrophobicContact CB-CD1 4.46Å; R49-L64 HydrophobicContact CG-CD1 4.14Å | ||
| 50 | P | 88.3 | Confident | 91 | Very high | 29 Ų | 29 | 68.8 Ų | 68.8 | 19% | 0.188 | 36% | 0.356 | C | S | . | . | trans | -68.3 | 137.9 | 178.2 | 31.6 | -35.1 | 0 | 0 | 0 | 109.4 | F54 Y60 Q63 L64 | P50-F54 HydrophobicContact CB-CE1 4.01Å; P50-F54 HydrophobicContact CB-CZ 3.71Å; P50-F54 HydrophobicContact CG-CE1 3.96Å; P50-F54 HydrophobicContact CG-CZ 3.69Å; P50-Y60 HydrophobicContact CG-CD2 4.2Å; P50-Y60 HydrophobicContact CG-CE2 3.88Å; P50-Q63 HydrophobicContact CB-CB 4.28Å; P50-Q63 HydrophobicContact CG-CB 4.05Å; P50-L64 HydrophobicContact CG-CB 4.4Å | ||
| 51 | I | 86.3 | Confident | 90.8 | Very high | 175 Ų | 175 | 71.7 Ų | 71.7 | 90% | 0.897 | 37% | 0.369 | S | S | * | . | trans | -104.1 | 128.6 | 177.6 | -59.2 | 174.3 | 0 | 0 | 0 | 107.8 | ||||
| 52 | G | 84.9 | Confident | 90.6 | Very high | 55 Ų | 55 | 71.5 Ų | 71.5 | 57% | 0.567 | 37% | 0.368 | S | S | * | . | S | Bend | trans | 153.6 | -176.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | F54 | G52-F54 WeakPolarHBondContact O-CD2 3.35Å; G52-F54 WeakPolarHBondContact O-CE2 3.46Å |
| 53 | E | 82.5 | Confident | 90.5 | Very high | 201 Ų | 201 | 71.6 Ų | 71.6 | 94% | 0.939 | 37% | 0.368 | S | S | * | . | trans | -89.5 | 136.4 | 167.3 | -65.5 | -172.5 | 169.7 | 0 | 0 | 109.5 | ||||
| 54 | F | 87.1 | Confident | 90.4 | Very high | 62 Ų | 62 | 70.5 Ų | 70.5 | 27% | 0.272 | 36% | 0.364 | S | S | . | . | trans | -118.5 | 144.8 | -178.1 | -57.5 | -85.9 | 0 | 0 | 0 | 109.8 | P50 G52 S56 Y60 Q63 | P50-F54 HydrophobicContact CB-CE1 4.01Å; P50-F54 HydrophobicContact CB-CZ 3.71Å; P50-F54 HydrophobicContact CG-CE1 3.96Å; P50-F54 HydrophobicContact CG-CZ 3.69Å; G52-F54 WeakPolarHBondContact O-CD2 3.35Å; G52-F54 WeakPolarHBondContact O-CE2 3.46Å; F54-S56 PolarHBondContact O-N 2.89Å; F54-Y60 HydrophobicContact CD1-CD2 4.15Å; F54-Y60 AromaticContact CD2-CD2 3.57Å; F54-Y60 HydrophobicContact CD2-CD2 3.57Å; F54-Y60 HydrophobicContact CD2-CE2 4.39Å; F54-Y60 HydrophobicContact CD2-CG 4.4Å; F54-Y60 HydrophobicContact CE1-CD2 4.05Å; F54-Y60 AromaticContact CE2-CD2 3.46Å; F54-Y60 HydrophobicContact CE2-CD2 3.46Å; F54-Y60 VanDerWaalsContact CE2-CD2 3.46Å; F54-Y60 AromaticContact CE2-CE2 3.9Å; F54-Y60 HydrophobicContact CE2-CE2 3.9Å; F54-Y60 AromaticContact CG-CD2 3.92Å; F54-Y60 HydrophobicContact CG-CD2 3.92Å; F54-Y60 HydrophobicContact CG-CG 4.46Å; F54-Y60 AromaticContact CZ-CD2 3.72Å; F54-Y60 HydrophobicContact CZ-CD2 3.72Å; F54-Y60 HydrophobicContact CZ-CE2 4.13Å; F54-Q63 HydrophobicContact CD1-CB 4.29Å; F54-Q63 HydrophobicContact CD1-CG 4.06Å; F54-Q63 HydrophobicContact CE1-CB 3.82Å; F54-Q63 HydrophobicContact CE1-CG 3.94Å | ||
| 55 | R | 82.5 | Confident | 90.5 | Very high | 191 Ų | 191 | 70.6 Ų | 70.6 | 72% | 0.721 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -68 | -26.9 | -176.5 | -60.4 | -179.1 | -171.5 | 144.5 | 9.7 | 111.9 | D59 E177 | R55-D59 HydrophobicContact CB-CB 4.41Å; R55-D59 PolarHBondContact N-OD2 3.41Å; R55-E177 IonicContact CZ-OE1 3.62Å; R55-E177 IonicContact CZ-OE2 3.77Å; R55-E177 IonicContact NH1-OE1 3.78Å; R55-E177 PolarHBondContact NH1-OE1 3.47Å; R55-E177 IonicContact NH1-OE2 3.67Å; R55-E177 PolarHBondContact NH1-OE2 2.87Å; R55-E177 IonicContact NH2-OE1 2.97Å; R55-E177 PolarHBondContact NH2-OE1 3.25Å; R55-E177 IonicContact NH2-OE2 3.44Å |
| 56 | S | 86.6 | Confident | 90.6 | Very high | 61 Ų | 61 | 72.3 Ų | 72.3 | 43% | 0.427 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -162.6 | 172.8 | 178.1 | 69.2 | 0 | 0 | 0 | 0 | 111.6 | F54 V58 D59 Y60 | F54-S56 PolarHBondContact O-N 2.89Å; S56-V58 PolarHBondContact O-N 3.46Å; S56-V58 PolarHBondContact OG-N 3.33Å; S56-D59 PolarHBondContact O-N 3.49Å; S56-D59 PolarHBondContact OG-N 3.2Å; S56-D59 VanDerWaalsContact OG-N 3.1Å; S56-Y60 PolarHBondContact O-N 3.37Å |
| 57 | T | 86.3 | Confident | 90.8 | Very high | 111 Ų | 111 | 70.7 Ų | 70.7 | 68% | 0.681 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -60.7 | -34.4 | 169.7 | -51.7 | 0 | 0 | 0 | 0 | 112.2 | Y60 Q61 | T57-Y60 WeakPolarHBondContact O-CB 3.23Å; T57-Y60 PolarHBondContact O-N 3.02Å; T57-Q61 WeakPolarHBondContact O-CG 3.49Å; T57-Q61 PolarHBondContact O-N 3.17Å |
| 58 | V | 85.6 | Confident | 91 | Very high | 37 Ų | 37 | 68 Ų | 68 | 22% | 0.224 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -68.6 | -45.6 | 179.7 | 180 | 0 | 0 | 0 | 0 | 110.4 | S56 Y60 Q61 Y62 | S56-V58 PolarHBondContact O-N 3.46Å; S56-V58 PolarHBondContact OG-N 3.33Å; V58-Y60 VanDerWaalsContact C-N 3.31Å; V58-Y60 PolarHBondContact O-N 3.47Å; V58-Q61 WeakPolarHBondContact O-CB 3.13Å; V58-Q61 PolarHBondContact O-N 2.89Å; V58-Q61 VanDerWaalsContact O-N 3.07Å; V58-Y62 PolarHBondContact O-N 3.49Å |
| 59 | D | 87.9 | Confident | 91.2 | Very high | 23 Ų | 23 | 65.4 Ų | 65.4 | 12% | 0.123 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -57.9 | -44 | 173.5 | 178.9 | 39 | 0 | 0 | 0 | 111 | R55 S56 Q61 Y62 Q63 | R55-D59 HydrophobicContact CB-CB 4.41Å; R55-D59 PolarHBondContact N-OD2 3.41Å; S56-D59 PolarHBondContact O-N 3.49Å; S56-D59 PolarHBondContact OG-N 3.2Å; S56-D59 VanDerWaalsContact OG-N 3.1Å; D59-Q61 PolarHBondContact O-N 3.19Å; D59-Y62 PolarHBondContact O-N 2.96Å; D59-Q63 WeakPolarHBondContact O-CG 3.41Å; D59-Q63 PolarHBondContact O-N 3.39Å |
| 60 | Y | 92.7 | Very high | 91.5 | Very high | 55 Ų | 55 | 58 Ų | 58 | 22% | 0.216 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -58.7 | -43.1 | 172.9 | 177.2 | -99.8 | 0 | 0 | 0 | 113.2 | P50 F54 S56 T57 V58 Q63 L64 | P50-Y60 HydrophobicContact CG-CD2 4.2Å; P50-Y60 HydrophobicContact CG-CE2 3.88Å; F54-Y60 HydrophobicContact CD1-CD2 4.15Å; F54-Y60 AromaticContact CD2-CD2 3.57Å; F54-Y60 HydrophobicContact CD2-CD2 3.57Å; F54-Y60 HydrophobicContact CD2-CE2 4.39Å; F54-Y60 HydrophobicContact CD2-CG 4.4Å; F54-Y60 HydrophobicContact CE1-CD2 4.05Å; F54-Y60 AromaticContact CE2-CD2 3.46Å; F54-Y60 HydrophobicContact CE2-CD2 3.46Å; F54-Y60 VanDerWaalsContact CE2-CD2 3.46Å; F54-Y60 AromaticContact CE2-CE2 3.9Å; F54-Y60 HydrophobicContact CE2-CE2 3.9Å; F54-Y60 AromaticContact CG-CD2 3.92Å; F54-Y60 HydrophobicContact CG-CD2 3.92Å; F54-Y60 HydrophobicContact CG-CG 4.46Å; F54-Y60 AromaticContact CZ-CD2 3.72Å; F54-Y60 HydrophobicContact CZ-CD2 3.72Å; F54-Y60 HydrophobicContact CZ-CE2 4.13Å; S56-Y60 PolarHBondContact O-N 3.37Å; T57-Y60 WeakPolarHBondContact O-CB 3.23Å; T57-Y60 PolarHBondContact O-N 3.02Å; V58-Y60 VanDerWaalsContact C-N 3.31Å; V58-Y60 PolarHBondContact O-N 3.47Å; Y60-Q63 PolarHBondContact O-N 2.97Å; Y60-L64 HydrophobicContact CE1-CD2 4.28Å; Y60-L64 VanDerWaalsContact O-CB 3.31Å; Y60-L64 WeakPolarHBondContact O-CB 3.45Å; Y60-L64 PolarHBondContact O-N 2.74Å |
| 61 | Q | 94.1 | Very high | 91.9 | Very high | 79 Ų | 79 | 59.8 Ų | 59.8 | 37% | 0.369 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.3 | -43.9 | 177.5 | -66.9 | -49.9 | -46.8 | 0 | 0 | 111.3 | T57 V58 D59 L64 L65 L262 | T57-Q61 WeakPolarHBondContact O-CG 3.49Å; T57-Q61 PolarHBondContact O-N 3.17Å; V58-Q61 WeakPolarHBondContact O-CB 3.13Å; V58-Q61 PolarHBondContact O-N 2.89Å; V58-Q61 VanDerWaalsContact O-N 3.07Å; D59-Q61 PolarHBondContact O-N 3.19Å; Q61-L64 PolarHBondContact O-N 3.18Å; Q61-L65 PolarHBondContact O-N 2.94Å; Q61-L262 HydrophobicContact CB-CD2 4.13Å |
| 62 | Y | 96.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63 | -46.1 | 176.5 | 178.9 | -106.5 | 0 | 0 | 0 | 111.8 | V58 D59 L64 L65 R66 P175 E178 F181 | V58-Y62 PolarHBondContact O-N 3.49Å; D59-Y62 PolarHBondContact O-N 2.96Å; Y62-L64 VanDerWaalsContact C-N 3.29Å; Y62-L64 PolarHBondContact O-N 3.35Å; Y62-L65 WeakPolarHBondContact O-CB 3.39Å; Y62-L65 PolarHBondContact O-N 2.97Å; Y62-R66 HydrophobicContact CE1-CB 4.43Å; Y62-R66 WeakPolarHBondContact O-CB 3.36Å; Y62-R66 PolarHBondContact O-N 2.95Å; Y62-P175 WeakPolarHBondContact CE1-O 3.06Å; Y62-P175 PolarHBondContact OH-O 3.47Å; Y62-E178 HydrophobicContact CD1-CB 3.73Å; Y62-E178 HydrophobicContact CD1-CG 4.48Å; Y62-E178 HydrophobicContact CD2-CB 4.12Å; Y62-E178 HydrophobicContact CD2-CG 4Å; Y62-E178 HydrophobicContact CE1-CB 4.26Å; Y62-E178 HydrophobicContact CG-CB 3.66Å; Y62-E178 HydrophobicContact CG-CG 3.92Å; Y62-F181 HydrophobicContact CD2-CD1 4.46Å; Y62-F181 HydrophobicContact CE2-CB 3.64Å; Y62-F181 AromaticContact CE2-CD1 3.85Å; Y62-F181 HydrophobicContact CE2-CD1 3.85Å; Y62-F181 HydrophobicContact CE2-CD2 4.22Å; Y62-F181 AromaticContact CE2-CG 3.63Å; Y62-F181 HydrophobicContact CE2-CG 3.63Å; Y62-F181 VanDerWaalsContact OH-CB 3.29Å; Y62-F181 WeakPolarHBondContact OH-CB 3.3Å |
| 63 | Q | 96.4 | Very high | 93.1 | Very high | 24 Ų | 24 | 53.5 Ų | 53.5 | 11% | 0.112 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.3 | -34 | 178 | -65 | -54.8 | -35 | 0 | 0 | 112.7 | P50 F54 D59 Y60 R66 C67 E176 | P50-Q63 HydrophobicContact CB-CB 4.28Å; P50-Q63 HydrophobicContact CG-CB 4.05Å; F54-Q63 HydrophobicContact CD1-CB 4.29Å; F54-Q63 HydrophobicContact CD1-CG 4.06Å; F54-Q63 HydrophobicContact CE1-CB 3.82Å; F54-Q63 HydrophobicContact CE1-CG 3.94Å; D59-Q63 WeakPolarHBondContact O-CG 3.41Å; D59-Q63 PolarHBondContact O-N 3.39Å; Y60-Q63 PolarHBondContact O-N 2.97Å; Q63-R66 VanDerWaalsContact OE1-NH2 3.13Å; Q63-C67 WeakPolarHBondContact O-CB 3.4Å; Q63-C67 PolarHBondContact O-N 3.36Å; Q63-C67 VanDerWaalsContact O-N 3.07Å; Q63-C67 PolarHBondContact O-SG 3.23Å; Q63-E176 PolarHBondContact NE2-O 2.94Å |
| 64 | L | 96.5 | Very high | 93.9 | Very high | 17 Ų | 17 | 44.2 Ų | 44.2 | 9% | 0.089 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -66.3 | -42.3 | 174.2 | 180 | 64.8 | 0 | 0 | 0 | 111.7 | V46 V48 R49 P50 Y60 Q61 Y62 C67 N68 Y160 | V46-L64 HydrophobicContact CG1-CD1 4.22Å; V48-L64 WeakPolarHBondContact O-CD1 3.12Å; R49-L64 HydrophobicContact CB-CD1 4.46Å; R49-L64 HydrophobicContact CG-CD1 4.14Å; P50-L64 HydrophobicContact CG-CB 4.4Å; Y60-L64 HydrophobicContact CE1-CD2 4.28Å; Y60-L64 VanDerWaalsContact O-CB 3.31Å; Y60-L64 WeakPolarHBondContact O-CB 3.45Å; Y60-L64 PolarHBondContact O-N 2.74Å; Q61-L64 PolarHBondContact O-N 3.18Å; Y62-L64 VanDerWaalsContact C-N 3.29Å; Y62-L64 PolarHBondContact O-N 3.35Å; L64-C67 PolarHBondContact O-SG 2.91Å; L64-N68 PolarHBondContact O-ND2 3.4Å; L64-Y160 PolarHBondContact O-OH 2.98Å |
| 65 | L | 97.8 | Very high | 94.5 | Very high | 3 Ų | 3 | 41.3 Ų | 41.3 | 2% | 0.016 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.4 | -55.2 | 172.4 | 178.2 | 167.5 | 0 | 0 | 0 | 110.4 | Q61 Y62 C67 N68 V69 G159 Y160 L174 L262 | Q61-L65 PolarHBondContact O-N 2.94Å; Y62-L65 WeakPolarHBondContact O-CB 3.39Å; Y62-L65 PolarHBondContact O-N 2.97Å; L65-C67 PolarHBondContact O-N 3.05Å; L65-N68 PolarHBondContact O-N 3.02Å; L65-N68 VanDerWaalsContact O-N 3.16Å; L65-V69 HydrophobicContact CD2-CB 4.4Å; L65-V69 HydrophobicContact CD2-CG2 3.81Å; L65-V69 HydrophobicContact CG-CG2 4.17Å; L65-V69 WeakPolarHBondContact O-CG2 3.44Å; L65-V69 PolarHBondContact O-N 2.83Å; L65-G159 WeakPolarHBondContact CD1-O 3.48Å; L65-Y160 HydrophobicContact CB-CE1 4.39Å; L65-Y160 HydrophobicContact CB-CE2 4.09Å; L65-Y160 HydrophobicContact CD1-CD2 4.34Å; L65-Y160 HydrophobicContact CG-CD1 4.28Å; L65-Y160 HydrophobicContact CG-CD2 4.22Å; L65-Y160 HydrophobicContact CG-CE1 4.36Å; L65-Y160 HydrophobicContact CG-CE2 4.29Å; L65-Y160 HydrophobicContact CG-CG 4.22Å; L65-L174 HydrophobicContact CD2-CD1 3.63Å; L65-L262 HydrophobicContact CD1-CD1 3.7Å |
| 66 | R | 97.9 | Very high | 95.2 | Very high | 46 Ų | 46 | 32.3 Ų | 32.3 | 17% | 0.174 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -52.6 | -51.1 | -175.6 | -169.7 | -177.6 | 71.6 | 102.3 | -10.2 | 112.1 | Y62 Q63 N68 D70 L174 P175 | Y62-R66 HydrophobicContact CE1-CB 4.43Å; Y62-R66 WeakPolarHBondContact O-CB 3.36Å; Y62-R66 PolarHBondContact O-N 2.95Å; Q63-R66 VanDerWaalsContact OE1-NH2 3.13Å; R66-N68 VanDerWaalsContact C-N 3.31Å; R66-N68 PolarHBondContact O-N 2.84Å; R66-D70 WeakPolarHBondContact O-CB 3.27Å; R66-D70 VanDerWaalsContact O-CG 3.32Å; R66-D70 PolarHBondContact O-N 3.45Å; R66-L174 HydrophobicContact CG-CB 3.83Å; R66-P175 WeakPolarHBondContact CD-O 3.34Å |
| 67 | C | 96.9 | Very high | 95.8 | Very high | 28 Ų | 28 | 29.4 Ų | 29.4 | 19% | 0.189 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -66.5 | -32.3 | -175.4 | 67.8 | 0 | 0 | 0 | 0 | 113.2 | V48 Q63 L64 L65 L71 | V48-C67 HydrophobicContact CG2-CB 4.23Å; Q63-C67 WeakPolarHBondContact O-CB 3.4Å; Q63-C67 PolarHBondContact O-N 3.36Å; Q63-C67 VanDerWaalsContact O-N 3.07Å; Q63-C67 PolarHBondContact O-SG 3.23Å; L64-C67 PolarHBondContact O-SG 2.91Å; L65-C67 PolarHBondContact O-N 3.05Å; C67-L71 VanDerWaalsContact O-CB 3.28Å; C67-L71 WeakPolarHBondContact O-CB 3.47Å; C67-L71 PolarHBondContact O-N 2.81Å |
| 68 | N | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -81.8 | -43.2 | 178.4 | -74.6 | -84.3 | 0 | 0 | 0 | 111.9 | V46 V47 V48 L64 L65 R66 D70 L71 L72 Y160 | V46-N68 WeakPolarHBondContact CA-OD1 3.44Å; V47-N68 PolarHBondContact N-OD1 2.83Å; V48-N68 WeakPolarHBondContact CG2-OD1 3.36Å; V48-N68 PolarHBondContact N-OD1 3.09Å; V48-N68 PolarHBondContact O-ND2 2.84Å; L64-N68 PolarHBondContact O-ND2 3.4Å; L65-N68 PolarHBondContact O-N 3.02Å; L65-N68 VanDerWaalsContact O-N 3.16Å; R66-N68 VanDerWaalsContact C-N 3.31Å; R66-N68 PolarHBondContact O-N 2.84Å; N68-D70 VanDerWaalsContact C-N 3.33Å; N68-D70 PolarHBondContact O-N 3.19Å; N68-L71 PolarHBondContact O-N 2.94Å; N68-L71 VanDerWaalsContact O-N 3.16Å; N68-L72 HydrophobicContact CB-CD1 4.26Å; N68-L72 VanDerWaalsContact O-CB 3.28Å; N68-L72 WeakPolarHBondContact O-CB 3.26Å; N68-L72 VanDerWaalsContact O-CG 3.29Å; N68-L72 WeakPolarHBondContact O-CG 3.38Å; N68-L72 PolarHBondContact O-N 3.02Å; N68-Y160 HydrophobicContact CB-CE1 4.06Å |
| 69 | V | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -62.4 | -40.9 | 177.6 | 172 | 0 | 0 | 0 | 0 | 111.2 | L65 L71 Y160 Y164 K167 L174 | L65-V69 HydrophobicContact CD2-CB 4.4Å; L65-V69 HydrophobicContact CD2-CG2 3.81Å; L65-V69 HydrophobicContact CG-CG2 4.17Å; L65-V69 WeakPolarHBondContact O-CG2 3.44Å; L65-V69 PolarHBondContact O-N 2.83Å; V69-L71 VanDerWaalsContact C-N 3.28Å; V69-L71 PolarHBondContact O-N 2.86Å; V69-Y160 HydrophobicContact CG2-CD1 3.72Å; V69-Y160 HydrophobicContact CG2-CE1 4.21Å; V69-Y164 HydrophobicContact CG1-CD1 4.04Å; V69-Y164 HydrophobicContact CG1-CE1 4.26Å; V69-Y164 HydrophobicContact CG1-CG 4.24Å; V69-Y164 HydrophobicContact CG2-CD2 4.21Å; V69-Y164 HydrophobicContact CG2-CE2 4.01Å; V69-K167 HydrophobicContact CG1-CB 4.12Å; V69-K167 HydrophobicContact CG1-CD 3.89Å; V69-K167 WeakPolarHBondContact O-CD 3.35Å; V69-K167 PolarHBondContact O-NZ 2.98Å; V69-L174 HydrophobicContact CB-CD1 3.86Å; V69-L174 HydrophobicContact CG1-CD1 3.68Å; V69-L174 HydrophobicContact CG1-CG 4.23Å; V69-L174 HydrophobicContact CG2-CD1 4.45Å |
| 70 | D | 98.1 | Very high | 97.6 | Very high | 21 Ų | 21 | 21.3 Ų | 21.3 | 11% | 0.112 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -58.8 | -42.1 | 175 | -83 | -4.7 | 0 | 0 | 0 | 111.9 | R66 N68 K167 R173 L174 | R66-D70 WeakPolarHBondContact O-CB 3.27Å; R66-D70 VanDerWaalsContact O-CG 3.32Å; R66-D70 PolarHBondContact O-N 3.45Å; N68-D70 VanDerWaalsContact C-N 3.33Å; N68-D70 PolarHBondContact O-N 3.19Å; D70-K167 PolarHBondContact O-NZ 3.33Å; D70-R173 WeakPolarHBondContact OD1-CA 3.48Å; D70-R173 IonicContact OD2-CZ 2.92Å; D70-R173 VanDerWaalsContact OD2-CZ 3.29Å; D70-R173 IonicContact OD2-NE 2.79Å; D70-R173 PolarHBondContact OD2-NE 3.11Å; D70-R173 IonicContact OD2-NH2 2.8Å; D70-R173 PolarHBondContact OD2-NH2 2.9Å; D70-L174 PolarHBondContact OD1-N 3.35Å |
| 71 | L | 97.3 | Very high | 97.9 | Very high | 66 Ų | 66 | 18.7 Ų | 18.7 | 35% | 0.346 | 9% | 0.09 | S | C | . | . | H | α-helix | trans | -81.4 | -35.9 | -171.2 | -170.8 | 68.4 | 0 | 0 | 0 | 113.3 | V47 V48 C67 N68 V69 M107 | V47-L71 HydrophobicContact CG2-CD2 3.64Å; V48-L71 HydrophobicContact CG1-CD2 3.97Å; V48-L71 HydrophobicContact CG2-CD2 4.06Å; C67-L71 VanDerWaalsContact O-CB 3.28Å; C67-L71 WeakPolarHBondContact O-CB 3.47Å; C67-L71 PolarHBondContact O-N 2.81Å; N68-L71 PolarHBondContact O-N 2.94Å; N68-L71 VanDerWaalsContact O-N 3.16Å; V69-L71 VanDerWaalsContact C-N 3.28Å; V69-L71 PolarHBondContact O-N 2.86Å; L71-M107 HydrophobicContact CD1-CE 3.24Å; L71-M107 HydrophobicContact CD1-SD 3.79Å; L71-M107 HydrophobicContact CD2-CE 4.32Å; L71-M107 HydrophobicContact CD2-SD 3.98Å; L71-M107 HydrophobicContact CG-CE 3.5Å; L71-M107 HydrophobicContact CG-SD 3.83Å |
| 72 | L | 98.3 | Very high | 98.1 | Very high | 1 Ų | 1 | 14.9 Ų | 14.9 | 1% | 0.005 | 7% | 0.072 | C | C | . | . | S | Bend | trans | -99.6 | 161.8 | -170.9 | -59.7 | 176.1 | 0 | 0 | 0 | 111.5 | P44 G45 V47 N68 M107 Y164 K167 | P44-L72 HydrophobicContact CG-CB 4Å; P44-L72 HydrophobicContact CG-CD1 4.22Å; P44-L72 HydrophobicContact CG-CD2 4.12Å; P44-L72 HydrophobicContact CG-CG 4.34Å; G45-L72 WeakPolarHBondContact O-CD1 3.46Å; V47-L72 HydrophobicContact CG1-CD1 4.48Å; V47-L72 HydrophobicContact CG1-CD2 4.2Å; V47-L72 HydrophobicContact CG2-CD1 4.19Å; V47-L72 HydrophobicContact CG2-CD2 3.79Å; V47-L72 HydrophobicContact CG2-CG 4.22Å; N68-L72 HydrophobicContact CB-CD1 4.26Å; N68-L72 VanDerWaalsContact O-CB 3.28Å; N68-L72 WeakPolarHBondContact O-CB 3.26Å; N68-L72 VanDerWaalsContact O-CG 3.29Å; N68-L72 WeakPolarHBondContact O-CG 3.38Å; N68-L72 PolarHBondContact O-N 3.02Å; L72-M107 HydrophobicContact CD2-CB 3.81Å; L72-M107 VanDerWaalsContact CD2-O 3.28Å; L72-M107 WeakPolarHBondContact CD2-O 3.22Å; L72-Y164 WeakPolarHBondContact CB-OH 3.36Å; L72-K167 PolarHBondContact O-NZ 2.96Å |
| 73 | K | 98.4 | Very high | 98.2 | Very high | 97 Ų | 97 | 16.4 Ų | 16.4 | 42% | 0.422 | 8% | 0.08 | S | C | . | . | trans | -106.8 | 141.3 | 175.7 | -66.5 | -176.1 | -177.6 | 168.6 | 0 | 110.3 | P44 F101 D106 | P44-K73 WeakPolarHBondContact CD-O 3.43Å; K73-F101 HydrophobicContact CB-CD2 3.96Å; K73-F101 HydrophobicContact CB-CE2 4.02Å; K73-D106 WeakPolarHBondContact CD-OD1 3.31Å; K73-D106 WeakPolarHBondContact CE-OD1 2.87Å; K73-D106 IonicContact NZ-OD1 3.87Å; K73-D106 PolarHBondContact NZ-OD1 3.07Å; K73-D106 IonicContact NZ-OD2 3.8Å | ||
| 74 | I | 98.7 | Very high | 98.2 | Very high | 7 Ų | 7 | 21 Ų | 21 | 4% | 0.036 | 10% | 0.101 | C | C | . | . | trans | -65.8 | 146.2 | 170.1 | -171.8 | 170.3 | 0 | 0 | 0 | 110 | T41 L77 F99 T133 Y164 | T41-I74 HydrophobicContact CG2-CD1 3.85Å; I74-L77 HydrophobicContact CD1-CB 4.32Å; I74-F99 HydrophobicContact CB-CD2 4.45Å; I74-F99 HydrophobicContact CD1-CD2 4.26Å; I74-F99 HydrophobicContact CD1-CE2 3.89Å; I74-F99 HydrophobicContact CG1-CD2 4.03Å; I74-F99 HydrophobicContact CG1-CE2 4.19Å; I74-F99 HydrophobicContact CG2-CB 4.47Å; I74-F99 HydrophobicContact CG2-CD2 3.76Å; I74-F99 HydrophobicContact CG2-CE2 4.16Å; I74-F99 HydrophobicContact CG2-CG 4.09Å; I74-T133 HydrophobicContact CG2-CG2 3.89Å; I74-Y164 HydrophobicContact CB-CD1 3.84Å; I74-Y164 HydrophobicContact CB-CE1 4.32Å; I74-Y164 HydrophobicContact CB-CG 4.21Å | ||
| 75 | I | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.131 | C | C | . | . | trans | -111.3 | -45.2 | -179.6 | -57.5 | 163.8 | 0 | 0 | 0 | 110.8 | E42 P44 F99 F101 I113 L116 L121 F123 H126 | E42-I75 WeakPolarHBondContact O-CA 3.36Å; E42-I75 WeakPolarHBondContact O-CB 3.31Å; E42-I75 PolarHBondContact O-N 3.42Å; P44-I75 HydrophobicContact CB-CD1 4.12Å; P44-I75 HydrophobicContact CG-CD1 4.46Å; I75-F99 PolarHBondContact O-N 3.1Å; I75-F101 HydrophobicContact CD1-CD2 4.42Å; I75-F101 HydrophobicContact CD1-CE1 4.43Å; I75-F101 HydrophobicContact CD1-CE2 4.28Å; I75-F101 HydrophobicContact CD1-CZ 4.29Å; I75-F101 HydrophobicContact CG1-CB 4.47Å; I75-F101 HydrophobicContact CG1-CD1 4.39Å; I75-F101 HydrophobicContact CG1-CD2 3.67Å; I75-F101 HydrophobicContact CG1-CE2 3.93Å; I75-F101 HydrophobicContact CG1-CG 3.93Å; I75-F101 HydrophobicContact CG1-CZ 4.39Å; I75-I113 HydrophobicContact CD1-CD1 4.46Å; I75-L116 HydrophobicContact CD1-CD1 3.66Å; I75-L121 HydrophobicContact CG2-CD2 3.63Å; I75-F123 HydrophobicContact CD1-CE1 4.05Å; I75-F123 HydrophobicContact CG2-CE1 4.27Å; I75-H126 PolarHBondContact O-CE1 3.15Å | ||
| 76 | Q | 98.9 | Very high | 98.1 | Very high | 2 Ų | 2 | 27 Ų | 27 | 1% | 0.009 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 152.9 | 173.9 | -64.5 | -175.6 | -40.4 | 0 | 0 | 112.6 | T41 E42 F97 N98 L121 A227 | T41-Q76 WeakPolarHBondContact CA-O 3.48Å; T41-Q76 WeakPolarHBondContact CB-O 3.34Å; E42-Q76 HydrophobicContact CB-CB 4.07Å; E42-Q76 HydrophobicContact CG-CB 4.37Å; E42-Q76 PolarHBondContact N-O 3.42Å; E42-Q76 PolarHBondContact O-N 2.8Å; Q76-F97 WeakPolarHBondContact CA-O 3.39Å; Q76-N98 PolarHBondContact NE2-OD1 2.89Å; Q76-L121 HydrophobicContact CG-CD2 4.22Å; Q76-A227 HydrophobicContact CB-CB 3.7Å |
| 77 | L | 98.9 | Very high | 98.1 | Very high | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.005 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 130 | 165.3 | 168.9 | 69.9 | 0 | 0 | 0 | 108.3 | M39 T41 I74 L79 F97 F99 F136 L165 | M39-L77 HydrophobicContact CG-CD1 3.47Å; M39-L77 VanDerWaalsContact CG-CD1 3.47Å; M39-L77 HydrophobicContact SD-CD1 3.95Å; T41-L77 HydrophobicContact CG2-CD1 3.75Å; I74-L77 HydrophobicContact CD1-CB 4.32Å; L77-L79 HydrophobicContact CD1-CD2 3.98Å; L77-L79 HydrophobicContact CD1-CG 4.49Å; L77-L79 HydrophobicContact CD2-CD1 4.32Å; L77-L79 HydrophobicContact CD2-CD2 4.29Å; L77-L79 HydrophobicContact CD2-CG 4.21Å; L77-L79 HydrophobicContact CG-CD2 4.14Å; L77-L79 HydrophobicContact CG-CG 4.13Å; L77-F97 HydrophobicContact CB-CB 4.31Å; L77-F97 HydrophobicContact CD2-CD2 4.31Å; L77-F97 HydrophobicContact CG-CD2 4.35Å; L77-F97 PolarHBondContact N-O 3.09Å; L77-F97 WeakPolarHBondContact O-CD2 3.5Å; L77-F97 PolarHBondContact O-N 3.39Å; L77-F99 HydrophobicContact CB-CE2 3.59Å; L77-F99 HydrophobicContact CB-CZ 4.08Å; L77-F99 HydrophobicContact CD2-CZ 4.48Å; L77-F136 HydrophobicContact CD2-CE1 3.7Å; L77-F136 HydrophobicContact CD2-CZ 3.64Å; L77-L165 HydrophobicContact CD1-CD2 4.11Å; L77-L165 HydrophobicContact CD2-CD2 3.96Å |
| 78 | G | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 130.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110 | M39 D40 W95 A227 S231 | M39-G78 VanDerWaalsContact CA-O 3.27Å; M39-G78 WeakPolarHBondContact CA-O 3.5Å; D40-G78 PolarHBondContact N-O 3.19Å; D40-G78 PolarHBondContact O-N 3.15Å; G78-W95 CarbonylContact C-O 3.54Å; G78-W95 WeakPolarHBondContact CA-O 3.27Å; G78-A227 WeakPolarHBondContact CA-O 3.37Å; G78-S231 WeakPolarHBondContact O-CB 3.49Å |
| 79 | L | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 120.6 | 172.8 | -61 | -177.3 | 0 | 0 | 0 | 109.6 | V37 A38 M39 L77 F81 T94 W95 F97 L145 W153 | V37-L79 HydrophobicContact CG1-CB 4.41Å; V37-L79 HydrophobicContact CG1-CD2 3.99Å; A38-L79 CarbonylContact O-C 3.56Å; A38-L79 WeakPolarHBondContact O-CA 3.42Å; M39-L79 HydrophobicContact CB-CD2 3.9Å; M39-L79 HydrophobicContact CG-CD2 3.69Å; L77-L79 HydrophobicContact CD1-CD2 3.98Å; L77-L79 HydrophobicContact CD1-CG 4.49Å; L77-L79 HydrophobicContact CD2-CD1 4.32Å; L77-L79 HydrophobicContact CD2-CD2 4.29Å; L77-L79 HydrophobicContact CD2-CG 4.21Å; L77-L79 HydrophobicContact CG-CD2 4.14Å; L77-L79 HydrophobicContact CG-CG 4.13Å; L79-F81 HydrophobicContact CB-CE2 3.84Å; L79-F81 HydrophobicContact CB-CZ 4.3Å; L79-T94 CarbonylContact O-C 3.56Å; L79-T94 VanDerWaalsContact O-CA 3.26Å; L79-T94 WeakPolarHBondContact O-CA 3.41Å; L79-W95 PolarHBondContact N-O 3.49Å; L79-W95 PolarHBondContact O-N 2.76Å; L79-F97 HydrophobicContact CB-CE2 4.34Å; L79-F97 HydrophobicContact CD1-CE2 3.79Å; L79-F97 HydrophobicContact CG-CD2 4.49Å; L79-F97 HydrophobicContact CG-CE2 4.03Å; L79-L145 HydrophobicContact CD1-CD1 4.09Å; L79-W153 HydrophobicContact CD2-CH2 4Å; L79-W153 HydrophobicContact CD2-CZ3 3.69Å |
| 80 | T | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 131.4 | 175 | -65.8 | 0 | 0 | 0 | 0 | 110.2 | V37 A38 M82 Y88 T93 T94 S231 L232 | V37-T80 CarbonylContact C-O 3.52Å; V37-T80 WeakPolarHBondContact CA-O 3.46Å; A38-T80 PolarHBondContact N-O 2.95Å; A38-T80 PolarHBondContact O-N 2.88Å; T80-M82 HydrophobicContact CG2-CE 4.27Å; T80-Y88 HydrophobicContact CG2-CD1 4.38Å; T80-Y88 HydrophobicContact CG2-CE1 4.03Å; T80-T93 WeakPolarHBondContact CA-O 3.26Å; T80-T94 WeakPolarHBondContact OG1-CB 3.22Å; T80-T94 WeakPolarHBondContact OG1-CG2 3.44Å; T80-T94 PolarHBondContact OG1-OG1 3.44Å; T80-S231 PolarHBondContact OG1-OG 3.18Å; T80-L232 HydrophobicContact CG2-CB 4.41Å; T80-L232 HydrophobicContact CG2-CD1 3.6Å; T80-L232 VanDerWaalsContact OG1-CA 3.28Å; T80-L232 WeakPolarHBondContact OG1-CA 3.37Å; T80-L232 PolarHBondContact OG1-N 2.81Å |
| 81 | F | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 130.8 | -174.5 | -64.9 | -101.9 | 0 | 0 | 0 | 111.2 | I27 I30 I31 V37 L79 P89 T93 W95 L145 | I27-F81 HydrophobicContact CB-CZ 4.31Å; I27-F81 HydrophobicContact CD1-CE2 4.36Å; I27-F81 HydrophobicContact CD1-CZ 4.32Å; I27-F81 HydrophobicContact CG1-CE2 4.1Å; I27-F81 HydrophobicContact CG1-CZ 3.98Å; I27-F81 HydrophobicContact CG2-CE1 3.96Å; I27-F81 HydrophobicContact CG2-CE2 4.5Å; I27-F81 HydrophobicContact CG2-CZ 3.56Å; I30-F81 HydrophobicContact CG2-CB 3.73Å; I30-F81 HydrophobicContact CG2-CD1 3.81Å; I30-F81 HydrophobicContact CG2-CG 3.82Å; I31-F81 HydrophobicContact CB-CE1 4.45Å; I31-F81 HydrophobicContact CD1-CD1 4.27Å; I31-F81 HydrophobicContact CD1-CE1 4.07Å; V37-F81 HydrophobicContact CG2-CD1 4.15Å; V37-F81 HydrophobicContact CG2-CE1 4.13Å; L79-F81 HydrophobicContact CB-CE2 3.84Å; L79-F81 HydrophobicContact CB-CZ 4.3Å; F81-P89 HydrophobicContact CB-CG 4.38Å; F81-P89 WeakPolarHBondContact O-CD 3.37Å; F81-T93 PolarHBondContact N-O 3.22Å; F81-W95 AromaticContact CD2-CE3 3.51Å; F81-W95 HydrophobicContact CD2-CE3 3.51Å; F81-W95 AromaticContact CD2-CZ3 3.45Å; F81-W95 HydrophobicContact CD2-CZ3 3.45Å; F81-W95 VanDerWaalsContact CD2-CZ3 3.45Å; F81-W95 HydrophobicContact CE2-CD2 4.42Å; F81-W95 AromaticContact CE2-CE3 3.48Å; F81-W95 HydrophobicContact CE2-CE3 3.48Å; F81-W95 VanDerWaalsContact CE2-CE3 3.48Å; F81-W95 AromaticContact CE2-CZ3 3.84Å; F81-W95 HydrophobicContact CE2-CZ3 3.84Å; F81-W95 HydrophobicContact CG-CZ3 4.33Å; F81-L145 HydrophobicContact CE1-CD2 3.67Å; F81-L145 HydrophobicContact CZ-CD1 4.39Å; F81-L145 HydrophobicContact CZ-CD2 3.96Å |
| 82 | M | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 163.2 | 176.2 | -64.8 | 156.6 | -69.2 | 0 | 0 | 110 | Y34 N35 Y36 A38 T80 T87 Y88 L154 F239 | Y34-M82 CarbonylContact C-O 3.59Å; Y34-M82 WeakPolarHBondContact CA-O 3.47Å; Y34-M82 WeakPolarHBondContact CB-O 3.45Å; N35-M82 PolarHBondContact N-O 3.49Å; Y36-M82 WeakPolarHBondContact CB-O 3.25Å; Y36-M82 PolarHBondContact N-O 3.06Å; Y36-M82 PolarHBondContact O-N 3.15Å; A38-M82 HydrophobicContact CB-CE 3.61Å; T80-M82 HydrophobicContact CG2-CE 4.27Å; M82-T87 CarbonylContact C-O 3.59Å; M82-T87 VanDerWaalsContact CA-O 3.23Å; M82-T87 WeakPolarHBondContact CA-O 3.34Å; M82-Y88 HydrophobicContact CG-CD1 3.62Å; M82-Y88 HydrophobicContact CG-CE1 3.5Å; M82-Y88 VanDerWaalsContact CG-CE1 3.5Å; M82-Y88 HydrophobicContact SD-CE1 3.83Å; M82-L154 HydrophobicContact CE-CD1 3.79Å; M82-F239 HydrophobicContact CB-CE2 3.87Å; M82-F239 HydrophobicContact CB-CZ 4.4Å; M82-F239 HydrophobicContact CE-CD2 4.44Å; M82-F239 HydrophobicContact CE-CE2 4.01Å; M82-F239 HydrophobicContact CG-CE2 4.27Å; M82-F239 HydrophobicContact SD-CD2 3.63Å; M82-F239 HydrophobicContact SD-CE2 3.52Å; M82-F239 VanDerWaalsContact SD-CE2 3.52Å |
| 83 | N | 98.1 | Very high | 97.4 | Very high | 32 Ų | 32 | 36.6 Ų | 36.6 | 17% | 0.171 | 21% | 0.207 | C | C | . | . | trans | -99 | -174.6 | 169.1 | 75.1 | -11.5 | 0 | 0 | 0 | 111.1 | S33 Y34 D85 G86 T87 F239 | S33-N83 WeakPolarHBondContact O-CB 3.5Å; Y34-N83 HydrophobicContact CD1-CB 3.89Å; Y34-N83 HydrophobicContact CE1-CB 4.27Å; N83-D85 PolarHBondContact O-N 2.89Å; N83-D85 PolarHBondContact OD1-N 2.86Å; N83-G86 PolarHBondContact O-N 3.3Å; N83-G86 PolarHBondContact OD1-N 2.98Å; N83-T87 PolarHBondContact N-O 2.89Å; N83-T87 PolarHBondContact ND2-OG1 2.83Å; N83-T87 PolarHBondContact OD1-N 3.2Å; N83-T87 PolarHBondContact OD1-O 2.82Å; N83-T87 PolarHBondContact OD1-OG1 2.81Å; N83-F239 VanDerWaalsContact O-CZ 3.22Å; N83-F239 WeakPolarHBondContact O-CZ 3.33Å | ||
| 84 | E | 96.9 | Very high | 97.4 | Very high | 119 Ų | 119 | 32 Ų | 32 | 56% | 0.556 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -27 | -178.1 | -175.9 | 162.8 | -146.9 | 0 | 0 | 114.7 | Y36 G86 F239 | Y36-E84 HydrophobicContact CE2-CB 3.96Å; Y36-E84 HydrophobicContact CE2-CG 4.31Å; E84-G86 VanDerWaalsContact C-N 3.31Å; E84-F239 WeakPolarHBondContact O-CE1 3.4Å |
| 85 | D | 96.1 | Very high | 97.4 | Very high | 133 Ų | 133 | 31.7 Ų | 31.7 | 71% | 0.711 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | 0.7 | 177.3 | -57.1 | -47.8 | 0 | 0 | 0 | 112.8 | N83 T87 | N83-D85 PolarHBondContact O-N 2.89Å; N83-D85 PolarHBondContact OD1-N 2.86Å; D85-T87 VanDerWaalsContact C-N 3.27Å; D85-T87 HydrophobicContact CB-CG2 4.08Å; D85-T87 PolarHBondContact O-N 3.05Å |
| 86 | G | 96.4 | Very high | 97.4 | Very high | 15 Ų | 15 | 31.8 Ų | 31.8 | 16% | 0.155 | 19% | 0.186 | C | C | . | . | S | Bend | trans | 73.2 | 18.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | N83 E84 F239 | N83-G86 PolarHBondContact O-N 3.3Å; N83-G86 PolarHBondContact OD1-N 2.98Å; E84-G86 VanDerWaalsContact C-N 3.31Å; G86-F239 VanDerWaalsContact CA-CE1 3.45Å; G86-F239 VanDerWaalsContact CA-CZ 3.48Å; G86-F239 VanDerWaalsContact N-CE1 3.31Å |
| 87 | T | 97.3 | Very high | 97.4 | Very high | 63 Ų | 63 | 31.7 Ų | 31.7 | 39% | 0.387 | 19% | 0.186 | S | C | . | . | P | Polyproline II helix | trans | -87.2 | 150.4 | 175.4 | 72.9 | 0 | 0 | 0 | 0 | 111.2 | Y34 M82 N83 D85 | Y34-T87 WeakPolarHBondContact CD1-O 3.23Å; M82-T87 CarbonylContact C-O 3.59Å; M82-T87 VanDerWaalsContact CA-O 3.23Å; M82-T87 WeakPolarHBondContact CA-O 3.34Å; N83-T87 PolarHBondContact N-O 2.89Å; N83-T87 PolarHBondContact ND2-OG1 2.83Å; N83-T87 PolarHBondContact OD1-N 3.2Å; N83-T87 PolarHBondContact OD1-O 2.82Å; N83-T87 PolarHBondContact OD1-OG1 2.81Å; D85-T87 VanDerWaalsContact C-N 3.27Å; D85-T87 HydrophobicContact CB-CG2 4.08Å; D85-T87 PolarHBondContact O-N 3.05Å |
| 88 | Y | 97.4 | Very high | 97.4 | Very high | 78 Ų | 78 | 31.7 Ų | 31.7 | 31% | 0.306 | 19% | 0.186 | S | C | . | . | P | Polyproline II helix | trans | -96.3 | 156 | -176.6 | -56.9 | -77.7 | 0 | 0 | 0 | 112.5 | Y34 T80 M82 T93 L232 M236 | Y34-Y88 WeakPolarHBondContact CE1-O 3.4Å; Y34-Y88 PolarHBondContact OH-O 3.31Å; T80-Y88 HydrophobicContact CG2-CD1 4.38Å; T80-Y88 HydrophobicContact CG2-CE1 4.03Å; M82-Y88 HydrophobicContact CG-CD1 3.62Å; M82-Y88 HydrophobicContact CG-CE1 3.5Å; M82-Y88 VanDerWaalsContact CG-CE1 3.5Å; M82-Y88 HydrophobicContact SD-CE1 3.83Å; Y88-T93 HydrophobicContact CD1-CG2 4.18Å; Y88-T93 HydrophobicContact CG-CG2 3.98Å; Y88-L232 HydrophobicContact CE1-CD1 3.66Å; Y88-M236 VanDerWaalsContact OH-CG 3.27Å; Y88-M236 WeakPolarHBondContact OH-CG 3.32Å |
| 89 | P | 95.9 | Very high | 97.4 | Very high | 6 Ų | 6 | 31.7 Ų | 31.7 | 4% | 0.039 | 19% | 0.186 | C | C | . | . | P | Polyproline II helix | trans | -62.5 | 152.3 | 167.5 | 28.3 | -35.3 | 0 | 0 | 0 | 111.5 | I30 Y34 F81 G91 T92 | I30-P89 HydrophobicContact CD1-CB 4.33Å; I30-P89 HydrophobicContact CD1-CG 4.41Å; I30-P89 HydrophobicContact CG1-CB 4.47Å; I30-P89 HydrophobicContact CG2-CB 4.25Å; I30-P89 HydrophobicContact CG2-CG 4.13Å; Y34-P89 HydrophobicContact CD1-CB 4.38Å; Y34-P89 HydrophobicContact CD2-CB 3.9Å; Y34-P89 HydrophobicContact CE1-CB 4.24Å; Y34-P89 VanDerWaalsContact CE1-N 3.27Å; Y34-P89 HydrophobicContact CE2-CB 3.72Å; Y34-P89 HydrophobicContact CG-CB 4.23Å; Y34-P89 HydrophobicContact CG-CG 4.48Å; F81-P89 HydrophobicContact CB-CG 4.38Å; F81-P89 WeakPolarHBondContact O-CD 3.37Å; P89-G91 PolarHBondContact O-N 2.9Å; P89-T92 WeakPolarHBondContact CG-O 3.27Å |
| 90 | P | 91.7 | Very high | 97.4 | Very high | 120 Ų | 120 | 37.4 Ų | 37.4 | 78% | 0.779 | 21% | 0.211 | S | C | * | . | S | Bend | trans | -66.5 | 134.1 | 175.6 | 27.9 | -33.8 | 0 | 0 | 0 | 111 | ||
| 91 | G | 93.3 | Very high | 97.4 | Very high | 46 Ų | 46 | 37.4 Ų | 37.4 | 47% | 0.474 | 21% | 0.211 | S | C | . | . | S | Bend | trans | 87.2 | -120.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | P89 | P89-G91 PolarHBondContact O-N 2.9Š|
| 92 | T | 96.4 | Very high | 97.4 | Very high | 38 Ų | 38 | 38.4 Ų | 38.4 | 23% | 0.233 | 22% | 0.216 | C | C | . | . | trans | -72.4 | 126.3 | 178.7 | -58.2 | 0 | 0 | 0 | 0 | 110.8 | Q10 C13 P89 T94 W95 | Q10-T92 WeakPolarHBondContact O-CA 3.46Å; Q10-T92 PolarHBondContact O-OG1 2.76Å; C13-T92 HydrophobicContact CB-CG2 3.48Å; C13-T92 VanDerWaalsContact CB-CG2 3.48Å; P89-T92 WeakPolarHBondContact CG-O 3.27Å; T92-T94 WeakPolarHBondContact CG2-O 3.5Å; T92-W95 HydrophobicContact CG2-CD2 4.03Å; T92-W95 HydrophobicContact CG2-CE3 4.25Å; T92-W95 HydrophobicContact CG2-CH2 3.68Å; T92-W95 HydrophobicContact CG2-CZ2 3.49Å; T92-W95 VanDerWaalsContact CG2-CZ2 3.49Å; T92-W95 HydrophobicContact CG2-CZ3 4.09Å; T92-W95 VanDerWaalsContact O-CH2 3.23Å; T92-W95 WeakPolarHBondContact O-CH2 3.39Å | ||
| 93 | T | 97.3 | Very high | 97.3 | Very high | 11 Ų | 11 | 40.9 Ų | 40.9 | 7% | 0.067 | 23% | 0.229 | C | C | . | . | trans | -108 | -24.3 | -179.7 | 68.5 | 0 | 0 | 0 | 0 | 112 | I11 T80 F81 Y88 | I11-T93 VanDerWaalsContact CG2-OG1 3.31Å; I11-T93 WeakPolarHBondContact CG2-OG1 3.37Å; I11-T93 PolarHBondContact O-N 2.92Å; I11-T93 PolarHBondContact O-OG1 3.27Å; T80-T93 WeakPolarHBondContact CA-O 3.26Å; F81-T93 PolarHBondContact N-O 3.22Å; Y88-T93 HydrophobicContact CD1-CG2 4.18Å; Y88-T93 HydrophobicContact CG-CG2 3.98Å | ||
| 94 | T | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 134.2 | -167.8 | -58.2 | 0 | 0 | 0 | 0 | 110 | I11 I12 C13 L79 T80 T92 G228 | I11-T94 PolarHBondContact O-N 3.06Å; I11-T94 VanDerWaalsContact O-N 3.09Å; I12-T94 CarbonylContact C-O 3Å; I12-T94 WeakPolarHBondContact CA-O 3.37Å; I12-T94 HydrophobicContact CG1-CG2 4.07Å; I12-T94 HydrophobicContact CG2-CG2 4.21Å; C13-T94 PolarHBondContact N-O 3.37Å; L79-T94 CarbonylContact O-C 3.56Å; L79-T94 VanDerWaalsContact O-CA 3.26Å; L79-T94 WeakPolarHBondContact O-CA 3.41Å; T80-T94 WeakPolarHBondContact OG1-CB 3.22Å; T80-T94 WeakPolarHBondContact OG1-CG2 3.44Å; T80-T94 PolarHBondContact OG1-OG1 3.44Å; T92-T94 WeakPolarHBondContact CG2-O 3.5Å; T94-G228 VanDerWaalsContact CG2-O 3.27Å; T94-G228 WeakPolarHBondContact CG2-O 3.28Å |
| 95 | W | 98.8 | Very high | 97.2 | Very high | 2 Ų | 2 | 47.1 Ų | 47.1 | 1% | 0.008 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 127.8 | 174.2 | -74.1 | -97.4 | 0 | 0 | 0 | 109.4 | V15 E23 I27 I30 G78 L79 F81 T92 F97 | V15-W95 HydrophobicContact CG2-CB 4.05Å; V15-W95 HydrophobicContact CG2-CG 4.23Å; E23-W95 PolarHBondContact OE2-NE1 3.2Å; I27-W95 HydrophobicContact CD1-CB 4.26Å; I27-W95 HydrophobicContact CD1-CD2 3.86Å; I27-W95 HydrophobicContact CD1-CE3 4.4Å; I27-W95 HydrophobicContact CD1-CG 3.77Å; I27-W95 HydrophobicContact CG1-CD2 3.87Å; I27-W95 HydrophobicContact CG1-CE3 4.16Å; I27-W95 HydrophobicContact CG1-CG 4.31Å; I27-W95 HydrophobicContact CG1-CZ2 4.32Å; I30-W95 HydrophobicContact CD1-CH2 3.22Å; I30-W95 HydrophobicContact CD1-CZ2 3.88Å; I30-W95 HydrophobicContact CD1-CZ3 4.05Å; G78-W95 CarbonylContact C-O 3.54Å; G78-W95 WeakPolarHBondContact CA-O 3.27Å; L79-W95 PolarHBondContact N-O 3.49Å; L79-W95 PolarHBondContact O-N 2.76Å; F81-W95 AromaticContact CD2-CE3 3.51Å; F81-W95 HydrophobicContact CD2-CE3 3.51Å; F81-W95 AromaticContact CD2-CZ3 3.45Å; F81-W95 HydrophobicContact CD2-CZ3 3.45Å; F81-W95 VanDerWaalsContact CD2-CZ3 3.45Å; F81-W95 HydrophobicContact CE2-CD2 4.42Å; F81-W95 AromaticContact CE2-CE3 3.48Å; F81-W95 HydrophobicContact CE2-CE3 3.48Å; F81-W95 VanDerWaalsContact CE2-CE3 3.48Å; F81-W95 AromaticContact CE2-CZ3 3.84Å; F81-W95 HydrophobicContact CE2-CZ3 3.84Å; F81-W95 HydrophobicContact CG-CZ3 4.33Å; T92-W95 HydrophobicContact CG2-CD2 4.03Å; T92-W95 HydrophobicContact CG2-CE3 4.25Å; T92-W95 HydrophobicContact CG2-CH2 3.68Å; T92-W95 HydrophobicContact CG2-CZ2 3.49Å; T92-W95 VanDerWaalsContact CG2-CZ2 3.49Å; T92-W95 HydrophobicContact CG2-CZ3 4.09Å; T92-W95 VanDerWaalsContact O-CH2 3.23Å; T92-W95 WeakPolarHBondContact O-CH2 3.39Å; W95-F97 HydrophobicContact CB-CD2 4.33Å; W95-F97 HydrophobicContact CB-CE2 3.63Å; W95-F97 HydrophobicContact CB-CZ 3.88Å; W95-F97 HydrophobicContact CG-CZ 4.48Å |
| 96 | Q | 98.9 | Very high | 97.3 | Very high | 2 Ų | 2 | 41.8 Ų | 41.8 | 1% | 0.009 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 101.8 | 174 | -179.4 | 161.9 | -75.9 | 0 | 0 | 108.7 | I12 C13 E14 V15 N98 | I12-Q96 HydrophobicContact CG2-CB 4.08Å; C13-Q96 PolarHBondContact O-N 3.07Å; E14-Q96 PolarHBondContact OE1-NE2 2.99Å; E14-Q96 PolarHBondContact OE2-NE2 3.35Å; E14-Q96 VanDerWaalsContact OE2-NE2 3.09Å; V15-Q96 PolarHBondContact N-O 2.8Å; Q96-N98 PolarHBondContact O-ND2 3.36Å |
| 97 | F | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 124.4 | 176.9 | -60.6 | -87.1 | 0 | 0 | 0 | 109.8 | V15 V20 M24 I27 Q76 L77 L79 W95 F99 I131 F136 | V15-F97 HydrophobicContact CB-CD1 3.7Å; V15-F97 HydrophobicContact CB-CE1 4.06Å; V15-F97 HydrophobicContact CB-CG 4.33Å; V15-F97 HydrophobicContact CG1-CD1 3.74Å; V15-F97 HydrophobicContact CG1-CE1 3.85Å; V15-F97 HydrophobicContact CG2-CD1 4.02Å; V15-F97 HydrophobicContact CG2-CE1 3.98Å; V15-F97 HydrophobicContact CG2-CZ 4.45Å; V20-F97 HydrophobicContact CG2-CD1 4.48Å; V20-F97 HydrophobicContact CG2-CE1 4.42Å; M24-F97 HydrophobicContact SD-CE1 4.01Å; M24-F97 HydrophobicContact SD-CZ 3.97Å; I27-F97 HydrophobicContact CD1-CE2 4.34Å; I27-F97 HydrophobicContact CD1-CZ 3.58Å; Q76-F97 WeakPolarHBondContact CA-O 3.39Å; L77-F97 HydrophobicContact CB-CB 4.31Å; L77-F97 HydrophobicContact CD2-CD2 4.31Å; L77-F97 HydrophobicContact CG-CD2 4.35Å; L77-F97 PolarHBondContact N-O 3.09Å; L77-F97 WeakPolarHBondContact O-CD2 3.5Å; L77-F97 PolarHBondContact O-N 3.39Å; L79-F97 HydrophobicContact CB-CE2 4.34Å; L79-F97 HydrophobicContact CD1-CE2 3.79Å; L79-F97 HydrophobicContact CG-CD2 4.49Å; L79-F97 HydrophobicContact CG-CE2 4.03Å; W95-F97 HydrophobicContact CB-CD2 4.33Å; W95-F97 HydrophobicContact CB-CE2 3.63Å; W95-F97 HydrophobicContact CB-CZ 3.88Å; W95-F97 HydrophobicContact CG-CZ 4.48Å; F97-F99 HydrophobicContact CB-CE2 4.21Å; F97-F99 HydrophobicContact CB-CZ 4Å; F97-I131 HydrophobicContact CB-CD1 4.03Å; F97-I131 HydrophobicContact CD1-CD1 3.88Å; F97-I131 HydrophobicContact CG-CD1 4.48Å; F97-F136 HydrophobicContact CD1-CD2 4Å; F97-F136 AromaticContact CD1-CE2 3.49Å; F97-F136 HydrophobicContact CD1-CE2 3.49Å; F97-F136 VanDerWaalsContact CD1-CE2 3.49Å; F97-F136 HydrophobicContact CD1-CZ 4.33Å; F97-F136 HydrophobicContact CD2-CE2 4.27Å; F97-F136 HydrophobicContact CD2-CZ 4.36Å; F97-F136 HydrophobicContact CE1-CD2 4.23Å; F97-F136 AromaticContact CE1-CE2 3.5Å; F97-F136 HydrophobicContact CE1-CE2 3.5Å; F97-F136 VanDerWaalsContact CE1-CE2 3.5Å; F97-F136 HydrophobicContact CE1-CZ 4.4Å; F97-F136 HydrophobicContact CE2-CE2 4.28Å; F97-F136 HydrophobicContact CE2-CZ 4.44Å; F97-F136 AromaticContact CG-CE2 3.89Å; F97-F136 HydrophobicContact CG-CE2 3.89Å; F97-F136 HydrophobicContact CG-CZ 4.3Å; F97-F136 AromaticContact CZ-CE2 3.9Å; F97-F136 HydrophobicContact CZ-CE2 3.9Å; F97-F136 HydrophobicContact CZ-CZ 4.44Å |
| 98 | N | 98.9 | Very high | 97.4 | Very high | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.005 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 109.2 | -179.6 | -62.2 | -76.8 | 0 | 0 | 0 | 109.4 | E14 V15 W16 Q76 Q96 G130 I131 | E14-N98 PolarHBondContact OE2-ND2 3.33Å; V15-N98 WeakPolarHBondContact O-CB 3.41Å; V15-N98 PolarHBondContact O-N 3.46Å; V15-N98 PolarHBondContact O-ND2 2.81Å; V15-N98 VanDerWaalsContact O-ND2 3.11Å; W16-N98 HydrophobicContact CD2-CB 3.85Å; W16-N98 HydrophobicContact CE3-CB 3.54Å; W16-N98 HydrophobicContact CH2-CB 3.45Å; W16-N98 VanDerWaalsContact CH2-CB 3.45Å; W16-N98 VanDerWaalsContact CH2-CG 3.5Å; W16-N98 HydrophobicContact CZ2-CB 3.76Å; W16-N98 WeakPolarHBondContact CZ2-ND2 3.47Å; W16-N98 HydrophobicContact CZ3-CB 3.33Å; Q76-N98 PolarHBondContact NE2-OD1 2.89Å; Q96-N98 PolarHBondContact O-ND2 3.36Å; N98-G130 WeakPolarHBondContact O-CA 3.33Å; N98-I131 WeakPolarHBondContact O-CG1 3.26Å; N98-I131 PolarHBondContact O-N 2.81Å |
| 99 | F | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | B | Isolated β-bridge | trans | -87.6 | 157.2 | -175.4 | -63.9 | -70.8 | 0 | 0 | 0 | 112.7 | I74 I75 L77 F97 F101 H126 I131 T133 F136 L168 | I74-F99 HydrophobicContact CB-CD2 4.45Å; I74-F99 HydrophobicContact CD1-CD2 4.26Å; I74-F99 HydrophobicContact CD1-CE2 3.89Å; I74-F99 HydrophobicContact CG1-CD2 4.03Å; I74-F99 HydrophobicContact CG1-CE2 4.19Å; I74-F99 HydrophobicContact CG2-CB 4.47Å; I74-F99 HydrophobicContact CG2-CD2 3.76Å; I74-F99 HydrophobicContact CG2-CE2 4.16Å; I74-F99 HydrophobicContact CG2-CG 4.09Å; I75-F99 PolarHBondContact O-N 3.1Å; L77-F99 HydrophobicContact CB-CE2 3.59Å; L77-F99 HydrophobicContact CB-CZ 4.08Å; L77-F99 HydrophobicContact CD2-CZ 4.48Å; F97-F99 HydrophobicContact CB-CE2 4.21Å; F97-F99 HydrophobicContact CB-CZ 4Å; F99-F101 PolarHBondContact O-N 3.41Å; F99-H126 PolarHBondContact O-ND1 2.89Å; F99-I131 WeakPolarHBondContact CA-O 3.37Å; F99-I131 HydrophobicContact CD1-CB 3.94Å; F99-I131 HydrophobicContact CD1-CG2 4.2Å; F99-I131 HydrophobicContact CE1-CB 4.36Å; F99-I131 HydrophobicContact CE1-CG2 4.24Å; F99-T133 HydrophobicContact CB-CG2 4.27Å; F99-T133 HydrophobicContact CD1-CG2 3.75Å; F99-T133 HydrophobicContact CE1-CG2 4.35Å; F99-T133 HydrophobicContact CG-CG2 4.08Å; F99-F136 HydrophobicContact CE1-CB 3.86Å; F99-F136 AromaticContact CE1-CD1 3.77Å; F99-F136 HydrophobicContact CE1-CD1 3.77Å; F99-F136 HydrophobicContact CE1-CD2 4.32Å; F99-F136 HydrophobicContact CE1-CE1 4.42Å; F99-F136 AromaticContact CE1-CG 3.71Å; F99-F136 HydrophobicContact CE1-CG 3.71Å; F99-F136 AromaticContact CZ-CD1 3.8Å; F99-F136 HydrophobicContact CZ-CD1 3.8Å; F99-F136 AromaticContact CZ-CE1 4Å; F99-F136 HydrophobicContact CZ-CE1 4Å; F99-F136 HydrophobicContact CZ-CG 4.1Å; F99-F136 HydrophobicContact CZ-CZ 4.49Å; F99-L168 HydrophobicContact CZ-CD1 4.49Å |
| 100 | K | 98.8 | Very high | 97.4 | Very high | 120 Ų | 120 | 48.5 Ų | 48.5 | 52% | 0.522 | 26% | 0.264 | S | S | . | . | trans | -65.2 | 124.6 | 176.4 | -168.8 | 167.2 | -174.7 | 164.9 | 0 | 111.2 | H126 E127 I131 | K100-H126 WeakPolarHBondContact CA-O 3.35Å; K100-E127 WeakPolarHBondContact CE-O 3.37Å; K100-I131 PolarHBondContact N-O 2.65Å | ||
| 101 | F | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 26% | 0.259 | C | S | . | . | trans | -148.9 | 136 | -178.6 | -166.5 | -93 | 0 | 0 | 0 | 110.5 | P44 K73 I75 F99 L103 D106 I113 F123 H126 E127 | P44-F101 HydrophobicContact CB-CE2 4.47Å; P44-F101 HydrophobicContact CB-CZ 4.04Å; P44-F101 HydrophobicContact CG-CE2 4Å; P44-F101 HydrophobicContact CG-CZ 4.02Å; K73-F101 HydrophobicContact CB-CD2 3.96Å; K73-F101 HydrophobicContact CB-CE2 4.02Å; I75-F101 HydrophobicContact CD1-CD2 4.42Å; I75-F101 HydrophobicContact CD1-CE1 4.43Å; I75-F101 HydrophobicContact CD1-CE2 4.28Å; I75-F101 HydrophobicContact CD1-CZ 4.29Å; I75-F101 HydrophobicContact CG1-CB 4.47Å; I75-F101 HydrophobicContact CG1-CD1 4.39Å; I75-F101 HydrophobicContact CG1-CD2 3.67Å; I75-F101 HydrophobicContact CG1-CE2 3.93Å; I75-F101 HydrophobicContact CG1-CG 3.93Å; I75-F101 HydrophobicContact CG1-CZ 4.39Å; F99-F101 PolarHBondContact O-N 3.41Å; F101-L103 HydrophobicContact CE1-CD2 3.94Å; F101-D106 HydrophobicContact CD2-CB 4.36Å; F101-D106 HydrophobicContact CE1-CB 4.35Å; F101-D106 HydrophobicContact CE2-CB 3.86Å; F101-D106 HydrophobicContact CZ-CB 3.85Å; F101-I113 HydrophobicContact CE1-CD1 4.13Å; F101-F123 AromaticContact CD1-CD1 3.93Å; F101-F123 HydrophobicContact CD1-CD1 3.93Å; F101-F123 HydrophobicContact CD1-CE1 4.01Å; F101-F123 HydrophobicContact CE1-CD1 4.45Å; F101-F123 HydrophobicContact CE1-CE1 4.25Å; F101-H126 HydrophobicContact CB-CB 4.2Å; F101-E127 VanDerWaalsContact O-CA 3.29Å; F101-E127 WeakPolarHBondContact O-CA 3.36Å; F101-E127 WeakPolarHBondContact O-CB 3.21Å; F101-E127 PolarHBondContact O-N 3.45Å | ||
| 102 | N | 98.3 | Very high | 97.8 | Very high | 21 Ų | 21 | 48 Ų | 48 | 11% | 0.112 | 25% | 0.246 | C | C | . | . | trans | -127.4 | 115.2 | -177.1 | -170.5 | -34.8 | 0 | 0 | 0 | 111.3 | T104 E105 D106 E127 | N102-T104 PolarHBondContact O-N 3.23Å; N102-T104 VanDerWaalsContact O-N 3.12Å; N102-T104 WeakPolarHBondContact OD1-CA 3.46Å; N102-T104 VanDerWaalsContact OD1-CB 3.25Å; N102-T104 WeakPolarHBondContact OD1-CB 3.28Å; N102-T104 PolarHBondContact OD1-N 2.95Å; N102-T104 PolarHBondContact OD1-OG1 3.47Å; N102-E105 HydrophobicContact CB-CB 4.22Å; N102-E105 HydrophobicContact CB-CG 4.43Å; N102-E105 PolarHBondContact O-N 3.38Å; N102-D106 PolarHBondContact N-OD2 2.87Å; N102-D106 VanDerWaalsContact O-CB 3.27Å; N102-D106 WeakPolarHBondContact O-CB 3.27Å; N102-D106 PolarHBondContact O-N 3.11Å; N102-E127 HydrophobicContact CB-CG 4.25Å; N102-E127 VanDerWaalsContact ND2-CD 3.3Å; N102-E127 PolarHBondContact ND2-OE1 3.15Å | ||
| 103 | L | 97.6 | Very high | 97.8 | Very high | 51 Ų | 51 | 46.3 Ų | 46.3 | 27% | 0.267 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -11.8 | 179.6 | -70.4 | 172.7 | 0 | 0 | 0 | 114.8 | F101 Y108 I113 F123 | F101-L103 HydrophobicContact CE1-CD2 3.94Å; L103-Y108 HydrophobicContact CB-CE1 4.42Å; L103-Y108 HydrophobicContact CD2-CD1 4.1Å; L103-Y108 HydrophobicContact CD2-CE1 3.94Å; L103-Y108 VanDerWaalsContact O-CE1 3.26Å; L103-Y108 WeakPolarHBondContact O-CE1 3.44Å; L103-Y108 PolarHBondContact O-OH 2.84Å; L103-I113 HydrophobicContact CD1-CG2 4.44Å; L103-I113 HydrophobicContact CD2-CB 4.48Å; L103-I113 HydrophobicContact CD2-CD1 3.76Å; L103-I113 HydrophobicContact CD2-CG1 3.87Å; L103-I113 HydrophobicContact CD2-CG2 3.75Å; L103-F123 HydrophobicContact CD1-CB 3.65Å; L103-F123 HydrophobicContact CD1-CD1 4.36Å; L103-F123 HydrophobicContact CD1-CD2 4.08Å; L103-F123 HydrophobicContact CD1-CG 3.77Å; L103-F123 HydrophobicContact CD2-CD1 4.29Å; L103-F123 HydrophobicContact CD2-CG 4.44Å; L103-F123 HydrophobicContact CG-CB 4.16Å; L103-F123 HydrophobicContact CG-CD1 4.23Å; L103-F123 HydrophobicContact CG-CG 4.14Å |
| 104 | T | 97.4 | Very high | 97.9 | Very high | 129 Ų | 129 | 49 Ų | 49 | 79% | 0.791 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | -34 | 176.5 | -47.7 | 0 | 0 | 0 | 0 | 111.7 | N102 | N102-T104 PolarHBondContact O-N 3.23Å; N102-T104 VanDerWaalsContact O-N 3.12Å; N102-T104 WeakPolarHBondContact OD1-CA 3.46Å; N102-T104 VanDerWaalsContact OD1-CB 3.25Å; N102-T104 WeakPolarHBondContact OD1-CB 3.28Å; N102-T104 PolarHBondContact OD1-N 2.95Å; N102-T104 PolarHBondContact OD1-OG1 3.47Å |
| 105 | E | 96.2 | Very high | 97.8 | Very high | 153 Ų | 153 | 52.8 Ų | 52.8 | 72% | 0.715 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.8 | -35.1 | -172.7 | -60.3 | -173.8 | 161 | 0 | 0 | 113 | N102 | N102-E105 HydrophobicContact CB-CB 4.22Å; N102-E105 HydrophobicContact CB-CG 4.43Å; N102-E105 PolarHBondContact O-N 3.38Å |
| 106 | D | 97.8 | Very high | 97.7 | Very high | 22 Ų | 22 | 52.9 Ų | 52.9 | 12% | 0.118 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -90.7 | 146.7 | -171.1 | -62.1 | -40.2 | 0 | 0 | 0 | 112.1 | K73 F101 N102 Y108 | K73-D106 WeakPolarHBondContact CD-OD1 3.31Å; K73-D106 WeakPolarHBondContact CE-OD1 2.87Å; K73-D106 IonicContact NZ-OD1 3.87Å; K73-D106 PolarHBondContact NZ-OD1 3.07Å; K73-D106 IonicContact NZ-OD2 3.8Å; F101-D106 HydrophobicContact CD2-CB 4.36Å; F101-D106 HydrophobicContact CE1-CB 4.35Å; F101-D106 HydrophobicContact CE2-CB 3.86Å; F101-D106 HydrophobicContact CZ-CB 3.85Å; N102-D106 PolarHBondContact N-OD2 2.87Å; N102-D106 VanDerWaalsContact O-CB 3.27Å; N102-D106 WeakPolarHBondContact O-CB 3.27Å; N102-D106 PolarHBondContact O-N 3.11Å; D106-Y108 WeakPolarHBondContact O-CD1 3.38Å; D106-Y108 WeakPolarHBondContact O-CE1 3.2Å |
| 107 | M | 97.2 | Very high | 97.6 | Very high | 99 Ų | 99 | 58 Ų | 58 | 49% | 0.488 | 29% | 0.294 | S | S | . | . | trans | -76.8 | 144.6 | 174.4 | -76.5 | 172.8 | -75 | 0 | 0 | 111.3 | L71 L72 | L71-M107 HydrophobicContact CD1-CE 3.24Å; L71-M107 HydrophobicContact CD1-SD 3.79Å; L71-M107 HydrophobicContact CD2-CE 4.32Å; L71-M107 HydrophobicContact CD2-SD 3.98Å; L71-M107 HydrophobicContact CG-CE 3.5Å; L71-M107 HydrophobicContact CG-SD 3.83Å; L72-M107 HydrophobicContact CD2-CB 3.81Å; L72-M107 VanDerWaalsContact CD2-O 3.28Å; L72-M107 WeakPolarHBondContact CD2-O 3.22Å | ||
| 108 | Y | 97.8 | Very high | 97.5 | Very high | 78 Ų | 78 | 64.8 Ų | 64.8 | 31% | 0.306 | 33% | 0.33 | S | S | . | . | trans | -158.2 | 162.6 | 177.3 | 54 | -93.4 | 0 | 0 | 0 | 113 | P44 L103 D106 I113 | P44-Y108 VanDerWaalsContact CB-CB 3.45Å; L103-Y108 HydrophobicContact CB-CE1 4.42Å; L103-Y108 HydrophobicContact CD2-CD1 4.1Å; L103-Y108 HydrophobicContact CD2-CE1 3.94Å; L103-Y108 VanDerWaalsContact O-CE1 3.26Å; L103-Y108 WeakPolarHBondContact O-CE1 3.44Å; L103-Y108 PolarHBondContact O-OH 2.84Å; D106-Y108 WeakPolarHBondContact O-CD1 3.38Å; D106-Y108 WeakPolarHBondContact O-CE1 3.2Å; Y108-I113 HydrophobicContact CD1-CG1 4.37Å; Y108-I113 HydrophobicContact CD2-CB 4.28Å; Y108-I113 HydrophobicContact CD2-CD1 4.39Å; Y108-I113 HydrophobicContact CD2-CG1 3.34Å; Y108-I113 HydrophobicContact CE2-CG1 4.04Å; Y108-I113 HydrophobicContact CG-CD1 4.11Å; Y108-I113 HydrophobicContact CG-CG1 3.54Å | ||
| 109 | S | 97.5 | Very high | 97.3 | Very high | 28 Ų | 28 | 65.7 Ų | 65.7 | 20% | 0.196 | 34% | 0.337 | C | S | . | . | trans | -85.9 | 129.8 | 161.6 | 178.7 | 0 | 0 | 0 | 0 | 110.1 | P44 D111 S112 I113 | P44-S109 WeakPolarHBondContact O-CB 3.29Å; P44-S109 PolarHBondContact O-N 3.15Å; S109-D111 VanDerWaalsContact C-N 3.34Å; S109-D111 PolarHBondContact O-N 3.39Å; S109-S112 PolarHBondContact O-N 2.82Å; S109-I113 PolarHBondContact O-N 3.35Å; S109-I113 VanDerWaalsContact O-N 3.12Å | ||
| 110 | Q | 96.4 | Very high | 97.2 | Very high | 97 Ų | 97 | 66.7 Ų | 66.7 | 45% | 0.453 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -58.3 | -45.7 | -179.7 | -172.8 | 63.4 | 53.1 | 0 | 0 | 111.6 | S112 I113 D114 | Q110-S112 PolarHBondContact O-N 3.13Å; Q110-I113 PolarHBondContact O-N 3.22Å; Q110-I113 VanDerWaalsContact O-N 3.17Å; Q110-D114 PolarHBondContact NE2-OD1 2.83Å; Q110-D114 PolarHBondContact O-N 2.77Å |
| 111 | D | 97.1 | Very high | 97.1 | Very high | 127 Ų | 127 | 61.4 Ų | 61.4 | 68% | 0.679 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -58.6 | -35.7 | -180 | -65.3 | -13 | 0 | 0 | 0 | 112 | S109 L115 | S109-D111 VanDerWaalsContact C-N 3.34Å; S109-D111 PolarHBondContact O-N 3.39Å; D111-L115 WeakPolarHBondContact O-CB 3.44Å; D111-L115 PolarHBondContact O-N 3.09Å |
| 112 | S | 96.1 | Very high | 97 | Very high | 28 Ų | 28 | 67 Ų | 67 | 20% | 0.196 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -73.5 | -41.9 | 179.1 | -56.1 | 0 | 0 | 0 | 0 | 111.7 | G45 S109 Q110 L115 L116 | G45-S112 WeakPolarHBondContact CA-OG 3.49Å; S109-S112 PolarHBondContact O-N 2.82Å; Q110-S112 PolarHBondContact O-N 3.13Å; S112-L115 PolarHBondContact O-N 3.18Å; S112-L116 WeakPolarHBondContact O-CB 3.33Å; S112-L116 VanDerWaalsContact O-CG 3.22Å; S112-L116 WeakPolarHBondContact O-CG 3.4Å; S112-L116 PolarHBondContact O-N 2.9Å |
| 113 | I | 97.6 | Very high | 97 | Very high | 3 Ų | 3 | 66.7 Ų | 66.7 | 2% | 0.015 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -62.7 | -44.3 | 174.5 | -65.2 | -53.1 | 0 | 0 | 0 | 111 | P44 I75 F101 L103 Y108 S109 Q110 L115 L116 Q117 F123 | P44-I113 HydrophobicContact CB-CD1 4.17Å; I75-I113 HydrophobicContact CD1-CD1 4.46Å; F101-I113 HydrophobicContact CE1-CD1 4.13Å; L103-I113 HydrophobicContact CD1-CG2 4.44Å; L103-I113 HydrophobicContact CD2-CB 4.48Å; L103-I113 HydrophobicContact CD2-CD1 3.76Å; L103-I113 HydrophobicContact CD2-CG1 3.87Å; L103-I113 HydrophobicContact CD2-CG2 3.75Å; Y108-I113 HydrophobicContact CD1-CG1 4.37Å; Y108-I113 HydrophobicContact CD2-CB 4.28Å; Y108-I113 HydrophobicContact CD2-CD1 4.39Å; Y108-I113 HydrophobicContact CD2-CG1 3.34Å; Y108-I113 HydrophobicContact CE2-CG1 4.04Å; Y108-I113 HydrophobicContact CG-CD1 4.11Å; Y108-I113 HydrophobicContact CG-CG1 3.54Å; S109-I113 PolarHBondContact O-N 3.35Å; S109-I113 VanDerWaalsContact O-N 3.12Å; Q110-I113 PolarHBondContact O-N 3.22Å; Q110-I113 VanDerWaalsContact O-N 3.17Å; I113-L115 VanDerWaalsContact C-N 3.35Å; I113-L115 PolarHBondContact O-N 3.25Å; I113-L116 PolarHBondContact O-N 3.5Å; I113-Q117 VanDerWaalsContact O-CB 3.28Å; I113-Q117 WeakPolarHBondContact O-CB 3.27Å; I113-Q117 PolarHBondContact O-N 3.29Å; I113-F123 HydrophobicContact CD1-CE1 3.83Å; I113-F123 HydrophobicContact CD1-CE2 4.39Å; I113-F123 HydrophobicContact CD1-CZ 3.59Å; I113-F123 HydrophobicContact CG2-CD2 4.39Å; I113-F123 HydrophobicContact CG2-CE2 3.84Å; I113-F123 HydrophobicContact CG2-CZ 4.17Å |
| 114 | D | 97.5 | Very high | 97 | Very high | 69 Ų | 69 | 71.1 Ų | 71.1 | 37% | 0.369 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -61.5 | -44.8 | 178.7 | -69.4 | -10.5 | 0 | 0 | 0 | 111 | Q110 Q117 N118 | Q110-D114 PolarHBondContact NE2-OD1 2.83Å; Q110-D114 PolarHBondContact O-N 2.77Å; D114-Q117 PolarHBondContact O-N 3.5Å; D114-N118 VanDerWaalsContact O-CB 3.31Å; D114-N118 WeakPolarHBondContact O-CB 3.42Å; D114-N118 PolarHBondContact O-N 3.23Å; D114-N118 PolarHBondContact O-ND2 3.15Å |
| 115 | L | 97.3 | Very high | 97.1 | Very high | 78 Ų | 78 | 67.5 Ų | 67.5 | 41% | 0.408 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61.2 | -46.6 | 176.4 | -178.3 | 142.8 | 0 | 0 | 0 | 112 | D111 S112 I113 N118 S119 H225 | D111-L115 WeakPolarHBondContact O-CB 3.44Å; D111-L115 PolarHBondContact O-N 3.09Å; S112-L115 PolarHBondContact O-N 3.18Å; I113-L115 VanDerWaalsContact C-N 3.35Å; I113-L115 PolarHBondContact O-N 3.25Å; L115-N118 PolarHBondContact O-N 3.38Å; L115-S119 WeakPolarHBondContact O-CB 3.48Å; L115-S119 PolarHBondContact O-N 3.03Å; L115-S119 PolarHBondContact O-OG 2.8Å; L115-H225 HydrophobicContact CD2-CB 4.07Å |
| 116 | L | 97.3 | Very high | 97.2 | Very high | 4 Ų | 4 | 60.3 Ų | 60.3 | 2% | 0.021 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -66.6 | -40.4 | -179.8 | -74.1 | 177.4 | 0 | 0 | 0 | 112.1 | E42 I75 S112 I113 S119 G120 L121 F123 | E42-L116 HydrophobicContact CB-CD2 3.97Å; E42-L116 HydrophobicContact CG-CD2 4.06Å; E42-L116 WeakPolarHBondContact OE2-CD2 3.34Å; I75-L116 HydrophobicContact CD1-CD1 3.66Å; S112-L116 WeakPolarHBondContact O-CB 3.33Å; S112-L116 VanDerWaalsContact O-CG 3.22Å; S112-L116 WeakPolarHBondContact O-CG 3.4Å; S112-L116 PolarHBondContact O-N 2.9Å; I113-L116 PolarHBondContact O-N 3.5Å; L116-S119 CarbonylContact O-C 3.58Å; L116-S119 WeakPolarHBondContact O-CA 3.44Å; L116-S119 WeakPolarHBondContact O-CB 3.49Å; L116-S119 PolarHBondContact O-N 2.52Å; L116-S119 VanDerWaalsContact O-N 3.16Å; L116-G120 PolarHBondContact O-N 3.22Å; L116-G120 VanDerWaalsContact O-N 3.08Å; L116-L121 HydrophobicContact CB-CB 4.47Å; L116-L121 HydrophobicContact CB-CD2 4.08Å; L116-L121 HydrophobicContact CD1-CD2 4.27Å; L116-L121 HydrophobicContact CD2-CD1 4.36Å; L116-L121 HydrophobicContact CD2-CD2 4.11Å; L116-L121 HydrophobicContact CG-CD2 4.38Å; L116-L121 WeakPolarHBondContact O-CB 3.42Å; L116-L121 PolarHBondContact O-N 3.18Å; L116-F123 HydrophobicContact CB-CE2 4.29Å; L116-F123 HydrophobicContact CB-CZ 3.96Å; L116-F123 HydrophobicContact CD1-CZ 4.32Å |
| 117 | Q | 96.5 | Very high | 97.3 | Very high | 111 Ų | 111 | 62.9 Ų | 62.9 | 52% | 0.519 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -64.4 | -42.3 | 175.3 | -170.7 | 170.7 | -39.5 | 0 | 0 | 111.2 | I113 D114 S119 G120 F123 | I113-Q117 VanDerWaalsContact O-CB 3.28Å; I113-Q117 WeakPolarHBondContact O-CB 3.27Å; I113-Q117 PolarHBondContact O-N 3.29Å; D114-Q117 PolarHBondContact O-N 3.5Å; Q117-S119 PolarHBondContact O-N 2.9Å; Q117-G120 WeakPolarHBondContact O-CA 3.47Å; Q117-G120 PolarHBondContact O-N 2.85Å; Q117-F123 HydrophobicContact CB-CD2 4.43Å; Q117-F123 HydrophobicContact CB-CE2 4.09Å |
| 118 | N | 97 | Very high | 97.3 | Very high | 141 Ų | 141 | 64 Ų | 64 | 75% | 0.754 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -64.5 | -29 | 173.9 | -71.1 | -30.9 | 0 | 0 | 0 | 112.6 | D114 L115 G120 | D114-N118 VanDerWaalsContact O-CB 3.31Å; D114-N118 WeakPolarHBondContact O-CB 3.42Å; D114-N118 PolarHBondContact O-N 3.23Å; D114-N118 PolarHBondContact O-ND2 3.15Å; L115-N118 PolarHBondContact O-N 3.38Å; N118-G120 PolarHBondContact O-N 3.47Å |
| 119 | S | 95.3 | Very high | 97.4 | Very high | 20 Ų | 20 | 64.2 Ų | 64.2 | 14% | 0.14 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -3.7 | 173.7 | -53.2 | 0 | 0 | 0 | 0 | 112.4 | L115 L116 Q117 H225 Q226 | L115-S119 WeakPolarHBondContact O-CB 3.48Å; L115-S119 PolarHBondContact O-N 3.03Å; L115-S119 PolarHBondContact O-OG 2.8Å; L116-S119 CarbonylContact O-C 3.58Å; L116-S119 WeakPolarHBondContact O-CA 3.44Å; L116-S119 WeakPolarHBondContact O-CB 3.49Å; L116-S119 PolarHBondContact O-N 2.52Å; L116-S119 VanDerWaalsContact O-N 3.16Å; Q117-S119 PolarHBondContact O-N 2.9Å; S119-H225 WeakPolarHBondContact OG-CB 3.29Å; S119-Q226 PolarHBondContact O-NE2 2.93Å |
| 120 | G | 96.2 | Very high | 97.4 | Very high | 21 Ų | 21 | 63.2 Ų | 63.2 | 22% | 0.216 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 98 | 17.5 | 166.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | L116 Q117 N118 | L116-G120 PolarHBondContact O-N 3.22Å; L116-G120 VanDerWaalsContact O-N 3.08Å; Q117-G120 WeakPolarHBondContact O-CA 3.47Å; Q117-G120 PolarHBondContact O-N 2.85Å; N118-G120 PolarHBondContact O-N 3.47Å |
| 121 | L | 96.7 | Very high | 97.5 | Very high | 9 Ų | 9 | 58.7 Ų | 58.7 | 5% | 0.047 | 30% | 0.297 | C | S | . | . | trans | -66.4 | 135.8 | 170.7 | -88 | 68.9 | 0 | 0 | 0 | 110.4 | I75 Q76 L116 F123 Q226 | I75-L121 HydrophobicContact CG2-CD2 3.63Å; Q76-L121 HydrophobicContact CG-CD2 4.22Å; L116-L121 HydrophobicContact CB-CB 4.47Å; L116-L121 HydrophobicContact CB-CD2 4.08Å; L116-L121 HydrophobicContact CD1-CD2 4.27Å; L116-L121 HydrophobicContact CD2-CD1 4.36Å; L116-L121 HydrophobicContact CD2-CD2 4.11Å; L116-L121 HydrophobicContact CG-CD2 4.38Å; L116-L121 WeakPolarHBondContact O-CB 3.42Å; L116-L121 PolarHBondContact O-N 3.18Å; L121-F123 HydrophobicContact CB-CE2 4.33Å; L121-F123 HydrophobicContact CB-CZ 4.45Å; L121-Q226 HydrophobicContact CD1-CG 3.77Å | ||
| 122 | Q | 96.4 | Very high | 97.6 | Very high | 119 Ų | 119 | 56.5 Ų | 56.5 | 56% | 0.556 | 29% | 0.286 | S | S | * | . | trans | -103.2 | 79.1 | -177.6 | -64 | 178.1 | 3.5 | 0 | 0 | 109.7 | K124 K125 H126 | Q122-K124 PolarHBondContact O-N 2.89Å; Q122-K124 VanDerWaalsContact O-N 3.13Å; Q122-K125 HydrophobicContact CB-CB 3.93Å; Q122-K125 WeakPolarHBondContact O-CA 3.5Å; Q122-K125 WeakPolarHBondContact O-CB 3.45Å; Q122-K125 PolarHBondContact O-N 3.28Å; Q122-H126 PolarHBondContact O-CD2 3.43Å; Q122-H126 PolarHBondContact O-N 3.4Å; Q122-H126 VanDerWaalsContact O-N 3.09Å | ||
| 123 | F | 98.1 | Very high | 97.7 | Very high | 14 Ų | 14 | 57.7 Ų | 57.7 | 6% | 0.061 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -54.7 | -36 | -173.2 | -75.3 | -71.8 | 0 | 0 | 0 | 114.7 | I75 F101 L103 I113 L116 Q117 L121 K125 H126 E127 | I75-F123 HydrophobicContact CD1-CE1 4.05Å; I75-F123 HydrophobicContact CG2-CE1 4.27Å; F101-F123 AromaticContact CD1-CD1 3.93Å; F101-F123 HydrophobicContact CD1-CD1 3.93Å; F101-F123 HydrophobicContact CD1-CE1 4.01Å; F101-F123 HydrophobicContact CE1-CD1 4.45Å; F101-F123 HydrophobicContact CE1-CE1 4.25Å; L103-F123 HydrophobicContact CD1-CB 3.65Å; L103-F123 HydrophobicContact CD1-CD1 4.36Å; L103-F123 HydrophobicContact CD1-CD2 4.08Å; L103-F123 HydrophobicContact CD1-CG 3.77Å; L103-F123 HydrophobicContact CD2-CD1 4.29Å; L103-F123 HydrophobicContact CD2-CG 4.44Å; L103-F123 HydrophobicContact CG-CB 4.16Å; L103-F123 HydrophobicContact CG-CD1 4.23Å; L103-F123 HydrophobicContact CG-CG 4.14Å; I113-F123 HydrophobicContact CD1-CE1 3.83Å; I113-F123 HydrophobicContact CD1-CE2 4.39Å; I113-F123 HydrophobicContact CD1-CZ 3.59Å; I113-F123 HydrophobicContact CG2-CD2 4.39Å; I113-F123 HydrophobicContact CG2-CE2 3.84Å; I113-F123 HydrophobicContact CG2-CZ 4.17Å; L116-F123 HydrophobicContact CB-CE2 4.29Å; L116-F123 HydrophobicContact CB-CZ 3.96Å; L116-F123 HydrophobicContact CD1-CZ 4.32Å; Q117-F123 HydrophobicContact CB-CD2 4.43Å; Q117-F123 HydrophobicContact CB-CE2 4.09Å; L121-F123 HydrophobicContact CB-CE2 4.33Å; L121-F123 HydrophobicContact CB-CZ 4.45Å; F123-K125 VanDerWaalsContact C-N 3.27Å; F123-K125 PolarHBondContact O-N 2.89Å; F123-H126 WeakPolarHBondContact O-CB 2.84Å; F123-H126 PolarHBondContact O-N 2.98Å; F123-E127 PolarHBondContact O-N 2.82Å |
| 124 | K | 98.3 | Very high | 97.7 | Very high | 144 Ų | 144 | 61.4 Ų | 61.4 | 63% | 0.626 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -59.3 | -38.9 | 173.4 | -175.6 | 174.2 | 178.1 | -179.8 | 0 | 112.4 | Q122 E127 E128 | Q122-K124 PolarHBondContact O-N 2.89Å; Q122-K124 VanDerWaalsContact O-N 3.13Å; K124-E127 PolarHBondContact O-N 2.83Å; K124-E128 WeakPolarHBondContact CE-OE1 3.29Å; K124-E128 IonicContact NZ-OE1 2.65Å; K124-E128 WeakPolarHBondContact O-CG 3.42Å; K124-E128 PolarHBondContact O-N 3.24Å; K124-E128 VanDerWaalsContact O-N 3.1Å |
| 125 | K | 98.6 | Very high | 97.8 | Very high | 53 Ų | 53 | 61.7 Ų | 61.7 | 23% | 0.23 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -72 | -36.2 | 176.8 | -164.4 | -180 | 178.9 | -165.5 | 0 | 111.8 | W16 Q122 F123 E127 E128 E129 G130 | W16-K125 HydrophobicContact CD2-CD 4.31Å; W16-K125 VanDerWaalsContact CE2-NZ 3.27Å; W16-K125 HydrophobicContact CE3-CD 4.33Å; W16-K125 HydrophobicContact CE3-CG 4.12Å; W16-K125 HydrophobicContact CH2-CB 4.08Å; W16-K125 HydrophobicContact CH2-CD 3.69Å; W16-K125 HydrophobicContact CH2-CG 3.82Å; W16-K125 HydrophobicContact CZ2-CD 3.64Å; W16-K125 HydrophobicContact CZ2-CG 4.27Å; W16-K125 HydrophobicContact CZ3-CB 4.15Å; W16-K125 HydrophobicContact CZ3-CD 4.03Å; W16-K125 HydrophobicContact CZ3-CG 3.73Å; W16-K125 VanDerWaalsContact NE1-NZ 3.2Å; Q122-K125 HydrophobicContact CB-CB 3.93Å; Q122-K125 WeakPolarHBondContact O-CA 3.5Å; Q122-K125 WeakPolarHBondContact O-CB 3.45Å; Q122-K125 PolarHBondContact O-N 3.28Å; F123-K125 VanDerWaalsContact C-N 3.27Å; F123-K125 PolarHBondContact O-N 2.89Å; K125-E127 VanDerWaalsContact C-N 3.3Å; K125-E127 PolarHBondContact O-N 3.03Å; K125-E128 PolarHBondContact O-N 2.88Å; K125-E129 WeakPolarHBondContact CE-OE2 3.44Å; K125-E129 HydrophobicContact CG-CB 4.17Å; K125-E129 HydrophobicContact CG-CG 4.3Å; K125-E129 IonicContact NZ-OE2 3.58Å; K125-E129 WeakPolarHBondContact O-CA 3.27Å; K125-E129 WeakPolarHBondContact O-CB 3.2Å; K125-E129 PolarHBondContact O-N 3.39Å; K125-G130 PolarHBondContact O-N 2.98Å |
| 126 | H | 98.8 | Very high | 97.9 | Very high | 2 Ų | 2 | 58 Ų | 58 | 1% | 0.009 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.3 | -42.6 | 170.3 | -77 | -93.8 | 0 | 0 | 0 | 111.6 | I75 F99 K100 F101 Q122 F123 G130 | I75-H126 PolarHBondContact O-CE1 3.15Å; F99-H126 PolarHBondContact O-ND1 2.89Å; K100-H126 WeakPolarHBondContact CA-O 3.35Å; F101-H126 HydrophobicContact CB-CB 4.2Å; Q122-H126 PolarHBondContact O-CD2 3.43Å; Q122-H126 PolarHBondContact O-N 3.4Å; Q122-H126 VanDerWaalsContact O-N 3.09Å; F123-H126 WeakPolarHBondContact O-CB 2.84Å; F123-H126 PolarHBondContact O-N 2.98Å; H126-G130 VanDerWaalsContact O-CA 3.27Å; H126-G130 WeakPolarHBondContact O-CA 3.1Å; H126-G130 PolarHBondContact O-N 2.86Å; H126-G130 VanDerWaalsContact O-N 3.07Å |
| 127 | E | 98.7 | Very high | 97.9 | Very high | 76 Ų | 76 | 58.2 Ų | 58.2 | 36% | 0.355 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -63 | -44.8 | 178.1 | -175.9 | 179.2 | 176.6 | 0 | 0 | 112.4 | K100 F101 N102 F123 K124 K125 | K100-E127 WeakPolarHBondContact CE-O 3.37Å; F101-E127 VanDerWaalsContact O-CA 3.29Å; F101-E127 WeakPolarHBondContact O-CA 3.36Å; F101-E127 WeakPolarHBondContact O-CB 3.21Å; F101-E127 PolarHBondContact O-N 3.45Å; N102-E127 HydrophobicContact CB-CG 4.25Å; N102-E127 VanDerWaalsContact ND2-CD 3.3Å; N102-E127 PolarHBondContact ND2-OE1 3.15Å; F123-E127 PolarHBondContact O-N 2.82Å; K124-E127 PolarHBondContact O-N 2.83Å; K125-E127 VanDerWaalsContact C-N 3.3Å; K125-E127 PolarHBondContact O-N 3.03Å |
| 128 | E | 98.5 | Very high | 98 | Very high | 123 Ų | 123 | 59.1 Ų | 59.1 | 58% | 0.575 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -85.7 | -38.5 | -172.1 | -68 | 174 | 169.4 | 0 | 0 | 113.6 | K124 K125 | K124-E128 WeakPolarHBondContact CE-OE1 3.29Å; K124-E128 IonicContact NZ-OE1 2.65Å; K124-E128 WeakPolarHBondContact O-CG 3.42Å; K124-E128 PolarHBondContact O-N 3.24Å; K124-E128 VanDerWaalsContact O-N 3.1Å; K125-E128 PolarHBondContact O-N 2.88Å |
| 129 | E | 98.8 | Very high | 98.1 | Very high | 81 Ų | 81 | 53.1 Ų | 53.1 | 38% | 0.379 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -125.7 | 1.5 | -168 | -59.1 | 178.6 | -141.6 | 0 | 0 | 113.7 | W16 A17 K125 | W16-E129 HydrophobicContact CE3-CB 4.09Å; A17-E129 WeakPolarHBondContact CB-O 3.34Å; A17-E129 PolarHBondContact N-O 2.9Å; K125-E129 WeakPolarHBondContact CE-OE2 3.44Å; K125-E129 HydrophobicContact CG-CB 4.17Å; K125-E129 HydrophobicContact CG-CG 4.3Å; K125-E129 IonicContact NZ-OE2 3.58Å; K125-E129 WeakPolarHBondContact O-CA 3.27Å; K125-E129 WeakPolarHBondContact O-CB 3.2Å; K125-E129 PolarHBondContact O-N 3.39Å |
| 130 | G | 98.8 | Very high | 98.3 | Very high | 8 Ų | 8 | 52.2 Ų | 52.2 | 8% | 0.082 | 26% | 0.257 | C | S | . | . | P | Polyproline II helix | trans | -65.5 | 148.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | N98 K125 H126 | N98-G130 WeakPolarHBondContact O-CA 3.33Å; K125-G130 PolarHBondContact O-N 2.98Å; H126-G130 VanDerWaalsContact O-CA 3.27Å; H126-G130 WeakPolarHBondContact O-CA 3.1Å; H126-G130 PolarHBondContact O-N 2.86Å; H126-G130 VanDerWaalsContact O-N 3.07Å |
| 131 | I | 98.9 | Very high | 98.4 | Very high | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | B | Isolated β-bridge | trans | -68.5 | 134.7 | 179.4 | -58.7 | 164.3 | 0 | 0 | 0 | 109.8 | V15 W16 V20 F97 N98 F99 K100 F136 | V15-I131 HydrophobicContact CB-CD1 4.26Å; V15-I131 HydrophobicContact CG1-CD1 4.01Å; W16-I131 VanDerWaalsContact C-CG1 3.41Å; V20-I131 HydrophobicContact CB-CD1 4.26Å; V20-I131 HydrophobicContact CB-CG1 4.37Å; V20-I131 HydrophobicContact CG2-CD1 4.08Å; V20-I131 HydrophobicContact CG2-CG2 4.31Å; F97-I131 HydrophobicContact CB-CD1 4.03Å; F97-I131 HydrophobicContact CD1-CD1 3.88Å; F97-I131 HydrophobicContact CG-CD1 4.48Å; N98-I131 WeakPolarHBondContact O-CG1 3.26Å; N98-I131 PolarHBondContact O-N 2.81Å; F99-I131 WeakPolarHBondContact CA-O 3.37Å; F99-I131 HydrophobicContact CD1-CB 3.94Å; F99-I131 HydrophobicContact CD1-CG2 4.2Å; F99-I131 HydrophobicContact CE1-CB 4.36Å; F99-I131 HydrophobicContact CE1-CG2 4.24Å; K100-I131 PolarHBondContact N-O 2.65Å; I131-F136 HydrophobicContact CG2-CB 3.84Å |
| 132 | D | 98.6 | Very high | 98.4 | Very high | 82 Ų | 82 | 59 Ų | 59 | 44% | 0.439 | 29% | 0.291 | S | S | . | . | P | Polyproline II helix | trans | -69.8 | 127.2 | 168.2 | -178.9 | -86 | 0 | 0 | 0 | 110.3 | L134 Y135 F136 | D132-L134 VanDerWaalsContact C-N 3.33Å; D132-L134 PolarHBondContact O-N 3.47Å; D132-L134 WeakPolarHBondContact OD1-CA 3.46Å; D132-L134 WeakPolarHBondContact OD1-CB 3.4Å; D132-L134 PolarHBondContact OD1-N 3.02Å; D132-Y135 PolarHBondContact O-N 3.06Å; D132-Y135 PolarHBondContact OD1-N 3.15Å; D132-F136 PolarHBondContact O-N 3.42Å |
| 133 | T | 98.1 | Very high | 98.4 | Very high | 52 Ų | 52 | 53.7 Ų | 53.7 | 32% | 0.319 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -66.9 | -32.7 | -172.8 | 49.8 | 0 | 0 | 0 | 0 | 113.1 | I74 F99 A137 L168 | I74-T133 HydrophobicContact CG2-CG2 3.89Å; F99-T133 HydrophobicContact CB-CG2 4.27Å; F99-T133 HydrophobicContact CD1-CG2 3.75Å; F99-T133 HydrophobicContact CE1-CG2 4.35Å; F99-T133 HydrophobicContact CG-CG2 4.08Å; T133-A137 WeakPolarHBondContact O-CB 3.42Å; T133-A137 PolarHBondContact O-N 2.86Å; T133-L168 HydrophobicContact CG2-CD1 4.27Å |
| 134 | L | 98 | Very high | 98.4 | Very high | 82 Ų | 82 | 54.2 Ų | 54.2 | 43% | 0.429 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -72.2 | -41.5 | 178.1 | -65.3 | 176.2 | 0 | 0 | 0 | 110.9 | D132 F136 A137 E138 D171 | D132-L134 VanDerWaalsContact C-N 3.33Å; D132-L134 PolarHBondContact O-N 3.47Å; D132-L134 WeakPolarHBondContact OD1-CA 3.46Å; D132-L134 WeakPolarHBondContact OD1-CB 3.4Å; D132-L134 PolarHBondContact OD1-N 3.02Å; L134-F136 VanDerWaalsContact C-N 3.32Å; L134-F136 PolarHBondContact O-N 3.34Å; L134-A137 WeakPolarHBondContact O-CB 3.38Å; L134-A137 PolarHBondContact O-N 3.47Å; L134-E138 PolarHBondContact O-N 3.38Å; L134-D171 HydrophobicContact CD2-CB 3.81Å; L134-D171 VanDerWaalsContact CD2-OD1 3.27Å; L134-D171 WeakPolarHBondContact CD2-OD1 3.2Å |
| 135 | Y | 98.7 | Very high | 98.4 | Very high | 74 Ų | 74 | 47.4 Ų | 47.4 | 29% | 0.29 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -62.7 | -41 | 174.3 | -174.2 | -116.7 | 0 | 0 | 0 | 111.9 | V20 E21 D132 A137 E138 L139 | V20-Y135 HydrophobicContact CG1-CD1 4.22Å; V20-Y135 HydrophobicContact CG1-CE1 3.81Å; E21-Y135 HydrophobicContact CG-CE1 4.34Å; E21-Y135 WeakPolarHBondContact CG-OH 3.46Å; E21-Y135 PolarHBondContact OE1-OH 3.27Å; D132-Y135 PolarHBondContact O-N 3.06Å; D132-Y135 PolarHBondContact OD1-N 3.15Å; Y135-A137 PolarHBondContact O-N 3.34Å; Y135-E138 WeakPolarHBondContact O-CB 3.45Å; Y135-E138 PolarHBondContact O-N 3.01Å; Y135-L139 HydrophobicContact CD1-CD1 4.21Å; Y135-L139 HydrophobicContact CE1-CD1 3.72Å; Y135-L139 HydrophobicContact CE1-CG 4.38Å; Y135-L139 WeakPolarHBondContact O-CG 3.46Å; Y135-L139 PolarHBondContact O-N 3.24Å |
| 136 | F | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.8 | -41.9 | 172.1 | 179.7 | -101.9 | 0 | 0 | 0 | 112.4 | V20 M24 L77 F97 F99 I131 D132 L134 E138 L139 L140 L168 | V20-F136 HydrophobicContact CG2-CD2 4.26Å; M24-F136 HydrophobicContact SD-CE2 4.17Å; L77-F136 HydrophobicContact CD2-CE1 3.7Å; L77-F136 HydrophobicContact CD2-CZ 3.64Å; F97-F136 HydrophobicContact CD1-CD2 4Å; F97-F136 AromaticContact CD1-CE2 3.49Å; F97-F136 HydrophobicContact CD1-CE2 3.49Å; F97-F136 VanDerWaalsContact CD1-CE2 3.49Å; F97-F136 HydrophobicContact CD1-CZ 4.33Å; F97-F136 HydrophobicContact CD2-CE2 4.27Å; F97-F136 HydrophobicContact CD2-CZ 4.36Å; F97-F136 HydrophobicContact CE1-CD2 4.23Å; F97-F136 AromaticContact CE1-CE2 3.5Å; F97-F136 HydrophobicContact CE1-CE2 3.5Å; F97-F136 VanDerWaalsContact CE1-CE2 3.5Å; F97-F136 HydrophobicContact CE1-CZ 4.4Å; F97-F136 HydrophobicContact CE2-CE2 4.28Å; F97-F136 HydrophobicContact CE2-CZ 4.44Å; F97-F136 AromaticContact CG-CE2 3.89Å; F97-F136 HydrophobicContact CG-CE2 3.89Å; F97-F136 HydrophobicContact CG-CZ 4.3Å; F97-F136 AromaticContact CZ-CE2 3.9Å; F97-F136 HydrophobicContact CZ-CE2 3.9Å; F97-F136 HydrophobicContact CZ-CZ 4.44Å; F99-F136 HydrophobicContact CE1-CB 3.86Å; F99-F136 AromaticContact CE1-CD1 3.77Å; F99-F136 HydrophobicContact CE1-CD1 3.77Å; F99-F136 HydrophobicContact CE1-CD2 4.32Å; F99-F136 HydrophobicContact CE1-CE1 4.42Å; F99-F136 AromaticContact CE1-CG 3.71Å; F99-F136 HydrophobicContact CE1-CG 3.71Å; F99-F136 AromaticContact CZ-CD1 3.8Å; F99-F136 HydrophobicContact CZ-CD1 3.8Å; F99-F136 AromaticContact CZ-CE1 4Å; F99-F136 HydrophobicContact CZ-CE1 4Å; F99-F136 HydrophobicContact CZ-CG 4.1Å; F99-F136 HydrophobicContact CZ-CZ 4.49Å; I131-F136 HydrophobicContact CG2-CB 3.84Å; D132-F136 PolarHBondContact O-N 3.42Å; L134-F136 VanDerWaalsContact C-N 3.32Å; L134-F136 PolarHBondContact O-N 3.34Å; F136-E138 VanDerWaalsContact C-N 3.32Å; F136-E138 PolarHBondContact O-N 3.29Å; F136-L139 PolarHBondContact O-N 3.02Å; F136-L140 HydrophobicContact CE1-CB 4.36Å; F136-L140 HydrophobicContact CE1-CD2 3.84Å; F136-L140 HydrophobicContact CZ-CD2 4.31Å; F136-L140 WeakPolarHBondContact O-CB 3.25Å; F136-L140 PolarHBondContact O-N 3.47Å; F136-L168 HydrophobicContact CD1-CD1 3.9Å; F136-L168 HydrophobicContact CD1-CD2 3.99Å; F136-L168 HydrophobicContact CE1-CD2 4.46Å |
| 137 | A | 98.6 | Very high | 98.4 | Very high | 10 Ų | 10 | 49.1 Ų | 49.1 | 8% | 0.083 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -57.8 | -43.9 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | T133 L134 Y135 L139 L140 M141 L168 | T133-A137 WeakPolarHBondContact O-CB 3.42Å; T133-A137 PolarHBondContact O-N 2.86Å; L134-A137 WeakPolarHBondContact O-CB 3.38Å; L134-A137 PolarHBondContact O-N 3.47Å; Y135-A137 PolarHBondContact O-N 3.34Å; A137-L139 PolarHBondContact O-N 2.93Å; A137-L140 PolarHBondContact O-N 3.37Å; A137-M141 WeakPolarHBondContact O-CB 3.49Å; A137-M141 PolarHBondContact O-N 3.42Å; A137-L168 HydrophobicContact CB-CD2 3.4Å; A137-L168 VanDerWaalsContact CB-CD2 3.4Å; A137-L168 HydrophobicContact CB-CG 4.07Å; A137-L168 WeakPolarHBondContact CB-O 3.46Å |
| 138 | E | 98.4 | Very high | 98.3 | Very high | 129 Ų | 129 | 47.3 Ų | 47.3 | 60% | 0.603 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -57.9 | -48.4 | 175.2 | -176.5 | -171.6 | 158.8 | 0 | 0 | 111.7 | L134 Y135 F136 L140 M141 | L134-E138 PolarHBondContact O-N 3.38Å; Y135-E138 WeakPolarHBondContact O-CB 3.45Å; Y135-E138 PolarHBondContact O-N 3.01Å; F136-E138 VanDerWaalsContact C-N 3.32Å; F136-E138 PolarHBondContact O-N 3.29Å; E138-L140 VanDerWaalsContact C-N 3.34Å; E138-L140 PolarHBondContact O-N 2.86Å; E138-M141 PolarHBondContact O-N 3.42Å |
| 139 | L | 98.7 | Very high | 98.1 | Very high | 16 Ų | 16 | 50 Ų | 50 | 8% | 0.084 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.4 | -39.6 | 179.7 | -66.8 | 177.1 | 0 | 0 | 0 | 112.2 | V20 M24 R28 Y135 F136 A137 S143 | V20-L139 HydrophobicContact CG1-CD1 4.13Å; V20-L139 HydrophobicContact CG2-CD1 3.88Å; M24-L139 HydrophobicContact CE-CB 4.1Å; M24-L139 HydrophobicContact CG-CB 4.13Å; M24-L139 HydrophobicContact CG-CD1 4.05Å; R28-L139 PolarHBondContact NH2-O 3.23Å; Y135-L139 HydrophobicContact CD1-CD1 4.21Å; Y135-L139 HydrophobicContact CE1-CD1 3.72Å; Y135-L139 HydrophobicContact CE1-CG 4.38Å; Y135-L139 WeakPolarHBondContact O-CG 3.46Å; Y135-L139 PolarHBondContact O-N 3.24Å; F136-L139 PolarHBondContact O-N 3.02Å; A137-L139 PolarHBondContact O-N 2.93Å; L139-S143 WeakPolarHBondContact O-CB 2.93Å |
| 140 | L | 98.6 | Very high | 97.9 | Very high | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -69.1 | -42.2 | -179.9 | -176.2 | 62 | 0 | 0 | 0 | 111.5 | F136 A137 E138 T142 S143 L145 V146 L169 | F136-L140 HydrophobicContact CE1-CB 4.36Å; F136-L140 HydrophobicContact CE1-CD2 3.84Å; F136-L140 HydrophobicContact CZ-CD2 4.31Å; F136-L140 WeakPolarHBondContact O-CB 3.25Å; F136-L140 PolarHBondContact O-N 3.47Å; A137-L140 PolarHBondContact O-N 3.37Å; E138-L140 VanDerWaalsContact C-N 3.34Å; E138-L140 PolarHBondContact O-N 2.86Å; L140-T142 PolarHBondContact O-N 2.83Å; L140-T142 VanDerWaalsContact O-N 3.15Å; L140-S143 WeakPolarHBondContact O-CB 3.5Å; L140-S143 PolarHBondContact O-N 3.04Å; L140-S143 PolarHBondContact O-OG 3.3Å; L140-L145 HydrophobicContact CD1-CB 3.74Å; L140-L145 HydrophobicContact CD1-CD1 3.38Å; L140-L145 HydrophobicContact CD1-CG 4.2Å; L140-V146 HydrophobicContact CD1-CG1 4.46Å; L140-V146 HydrophobicContact CD2-CG1 4.37Å; L140-V146 HydrophobicContact CG-CG1 4.22Å; L140-V146 HydrophobicContact CG-CG2 4.5Å; L140-L169 HydrophobicContact CD2-CD2 3.89Å; L140-L169 HydrophobicContact CD2-CG 4.39Å; L140-L169 HydrophobicContact CG-CD2 4.2Å |
| 141 | M | 98.4 | Very high | 97.9 | Very high | 67 Ų | 67 | 50.1 Ų | 50.1 | 33% | 0.33 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -54.6 | -37 | -176.8 | -169.2 | 62.6 | 74.2 | 0 | 0 | 113.1 | A137 E138 L147 L169 F188 | A137-M141 WeakPolarHBondContact O-CB 3.49Å; A137-M141 PolarHBondContact O-N 3.42Å; E138-M141 PolarHBondContact O-N 3.42Å; M141-L147 HydrophobicContact SD-CD1 3.72Å; M141-L169 HydrophobicContact CE-CB 4.44Å; M141-L169 HydrophobicContact CE-CD2 3.97Å; M141-L169 WeakPolarHBondContact CE-O 3.49Å; M141-F188 HydrophobicContact CE-CE1 3.77Å; M141-F188 HydrophobicContact CE-CZ 4.21Å; M141-F188 HydrophobicContact SD-CE1 3.9Å |
| 142 | T | 96.6 | Very high | 97.9 | Very high | 106 Ų | 106 | 52.5 Ų | 52.5 | 65% | 0.65 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.7 | 16.2 | -177.5 | 59 | 0 | 0 | 0 | 0 | 113.2 | L140 | L140-T142 PolarHBondContact O-N 2.83Å; L140-T142 VanDerWaalsContact O-N 3.15Å |
| 143 | S | 98.1 | Very high | 97.9 | Very high | 6 Ų | 6 | 48.7 Ų | 48.7 | 4% | 0.042 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -20.7 | -175.4 | 67.1 | 0 | 0 | 0 | 0 | 114.9 | L139 L140 L145 | L139-S143 WeakPolarHBondContact O-CB 2.93Å; L140-S143 WeakPolarHBondContact O-CB 3.5Å; L140-S143 PolarHBondContact O-N 3.04Å; L140-S143 PolarHBondContact O-OG 3.3Å; S143-L145 VanDerWaalsContact OG-CB 3.31Å; S143-L145 WeakPolarHBondContact OG-CB 3.39Å; S143-L145 PolarHBondContact OG-N 3.04Å; S143-L145 VanDerWaalsContact OG-N 3.15Å |
| 144 | G | 98 | Very high | 97.9 | Very high | 25 Ų | 25 | 46.2 Ų | 46.2 | 26% | 0.258 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 88.6 | -0.4 | -168 | 0 | 0 | 0 | 0 | 0 | 114.7 | C148 V151 | G144-C148 WeakPolarHBondContact O-CB 3.26Å; G144-C148 PolarHBondContact O-SG 3.2Å; G144-V151 WeakPolarHBondContact O-CG2 3.11Å |
| 145 | L | 98.3 | Very high | 98 | Very high | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -77 | -34.8 | 176.5 | -82.6 | 166.3 | 0 | 0 | 0 | 113.9 | I27 I31 V37 L79 F81 L140 S143 W153 | I27-L145 HydrophobicContact CG2-CD1 3.7Å; I27-L145 HydrophobicContact CG2-CG 4.27Å; I31-L145 HydrophobicContact CD1-CD2 3.73Å; I31-L145 HydrophobicContact CG1-CD2 4.12Å; I31-L145 HydrophobicContact CG1-CG 4.42Å; V37-L145 HydrophobicContact CG1-CD2 4.19Å; V37-L145 HydrophobicContact CG2-CD2 3.71Å; L79-L145 HydrophobicContact CD1-CD1 4.09Å; F81-L145 HydrophobicContact CE1-CD2 3.67Å; F81-L145 HydrophobicContact CZ-CD1 4.39Å; F81-L145 HydrophobicContact CZ-CD2 3.96Å; L140-L145 HydrophobicContact CD1-CB 3.74Å; L140-L145 HydrophobicContact CD1-CD1 3.38Å; L140-L145 HydrophobicContact CD1-CG 4.2Å; S143-L145 VanDerWaalsContact OG-CB 3.31Å; S143-L145 WeakPolarHBondContact OG-CB 3.39Å; S143-L145 PolarHBondContact OG-N 3.04Å; S143-L145 VanDerWaalsContact OG-N 3.15Å; L145-W153 HydrophobicContact CB-CZ2 4.19Å; L145-W153 HydrophobicContact CD2-CZ2 4.32Å; L145-W153 WeakPolarHBondContact O-CZ2 3.49Å; L145-W153 PolarHBondContact O-NE1 2.72Å; L145-W153 VanDerWaalsContact O-NE1 3.15Å |
| 146 | V | 98.5 | Very high | 98 | Very high | 2 Ų | 2 | 39.6 Ų | 39.6 | 1% | 0.012 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -117.8 | 159.8 | -177 | -61.2 | 0 | 0 | 0 | 0 | 109.6 | L140 C148 W153 L169 F188 F189 | L140-V146 HydrophobicContact CD1-CG1 4.46Å; L140-V146 HydrophobicContact CD2-CG1 4.37Å; L140-V146 HydrophobicContact CG-CG1 4.22Å; L140-V146 HydrophobicContact CG-CG2 4.5Å; V146-C148 PolarHBondContact O-N 2.8Å; V146-C148 PolarHBondContact O-SG 3.12Å; V146-W153 HydrophobicContact CG1-CZ2 4.14Å; V146-L169 HydrophobicContact CG1-CD1 4.08Å; V146-L169 HydrophobicContact CG2-CD2 4.37Å; V146-F188 CarbonylContact C-O 3.57Å; V146-F188 WeakPolarHBondContact CA-O 3.46Å; V146-F188 HydrophobicContact CB-CD1 4.34Å; V146-F188 HydrophobicContact CG2-CD1 4.44Å; V146-F189 HydrophobicContact CG1-CD1 4.4Å; V146-F189 HydrophobicContact CG1-CE1 3.72Å; V146-F189 HydrophobicContact CG1-CZ 4.04Å |
| 147 | L | 98.1 | Very high | 97.9 | Very high | 90 Ų | 90 | 44.5 Ų | 44.5 | 47% | 0.471 | 23% | 0.234 | S | C | . | . | S | Bend | trans | 61.2 | 10.9 | -178.1 | -54.2 | 167.3 | 0 | 0 | 0 | 114.1 | M141 L187 F188 | M141-L147 HydrophobicContact SD-CD1 3.72Å; L147-L187 WeakPolarHBondContact CD2-O 3.33Å; L147-F188 HydrophobicContact CD1-CD1 4.39Å; L147-F188 HydrophobicContact CD1-CE1 4.28Å; L147-F188 HydrophobicContact CD2-CD1 3.63Å; L147-F188 HydrophobicContact CD2-CE1 3.97Å; L147-F188 HydrophobicContact CD2-CG 4.32Å; L147-F188 HydrophobicContact CG-CD1 3.83Å; L147-F188 HydrophobicContact CG-CE1 4.2Å; L147-F188 PolarHBondContact N-O 3.36Å |
| 148 | C | 96.8 | Very high | 97.9 | Very high | 38 Ų | 38 | 44 Ų | 44 | 26% | 0.257 | 23% | 0.23 | S | C | . | . | trans | -114.2 | 117.8 | -176.2 | -64.4 | 0 | 0 | 0 | 0 | 110.3 | G144 V146 N150 V151 | G144-C148 WeakPolarHBondContact O-CB 3.26Å; G144-C148 PolarHBondContact O-SG 3.2Å; V146-C148 PolarHBondContact O-N 2.8Å; V146-C148 PolarHBondContact O-SG 3.12Å; C148-N150 WeakPolarHBondContact CB-OD1 3.34Å; C148-N150 PolarHBondContact O-N 3.16Å; C148-V151 HydrophobicContact CB-CG2 4.07Å; C148-V151 PolarHBondContact O-N 2.66Å | ||
| 149 | E | 93.8 | Very high | 97.9 | Very high | 178 Ų | 178 | 38.2 Ų | 38.2 | 83% | 0.832 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -21.9 | -173.7 | -63.5 | -178.5 | 169.8 | 0 | 0 | 114.2 | V151 | E149-V151 VanDerWaalsContact C-N 3.3Å; E149-V151 PolarHBondContact O-N 2.72Å |
| 150 | N | 95.1 | Very high | 97.9 | Very high | 92 Ų | 92 | 39.7 Ų | 39.7 | 49% | 0.492 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -6.3 | -179.1 | 65.9 | -47.8 | 0 | 0 | 0 | 113.6 | N35 C148 | N35-N150 WeakPolarHBondContact CB-O 3.43Å; N35-N150 PolarHBondContact ND2-O 3Å; C148-N150 WeakPolarHBondContact CB-OD1 3.34Å; C148-N150 PolarHBondContact O-N 3.16Å |
| 151 | V | 98.4 | Very high | 97.9 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.006 | 21% | 0.211 | C | C | . | . | trans | -94.1 | 131.6 | -179.2 | -176.4 | 0 | 0 | 0 | 0 | 110.7 | I31 N35 V37 G144 C148 E149 | I31-V151 HydrophobicContact CD1-CG1 4.13Å; I31-V151 HydrophobicContact CD1-CG2 3.94Å; I31-V151 HydrophobicContact CG1-CG2 4.08Å; N35-V151 WeakPolarHBondContact O-CA 3.24Å; V37-V151 HydrophobicContact CG2-CG1 3.78Å; G144-V151 WeakPolarHBondContact O-CG2 3.11Å; C148-V151 HydrophobicContact CB-CG2 4.07Å; C148-V151 PolarHBondContact O-N 2.66Å; E149-V151 VanDerWaalsContact C-N 3.3Å; E149-V151 PolarHBondContact O-N 2.72Å | ||
| 152 | K | 98.8 | Very high | 97.9 | Very high | 50 Ų | 50 | 36.9 Ų | 36.9 | 22% | 0.217 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 116.1 | 178 | -68.4 | 177.1 | 179.4 | -173.6 | 0 | 109.9 | N35 Y36 V37 A191 Y193 | N35-K152 PolarHBondContact O-N 3.1Å; Y36-K152 CarbonylContact C-O 3.57Å; Y36-K152 WeakPolarHBondContact CA-O 3.45Å; Y36-K152 HydrophobicContact CD1-CB 4.01Å; Y36-K152 HydrophobicContact CD1-CD 4.36Å; Y36-K152 HydrophobicContact CD2-CD 4.42Å; Y36-K152 HydrophobicContact CE1-CB 4.09Å; Y36-K152 HydrophobicContact CE1-CD 3.65Å; Y36-K152 HydrophobicContact CE2-CD 3.69Å; Y36-K152 HydrophobicContact CG-CB 4.27Å; Y36-K152 VanDerWaalsContact OH-CD 3.26Å; Y36-K152 WeakPolarHBondContact OH-CD 3.21Å; Y36-K152 PolarHBondContact OH-NZ 2.9Å; V37-K152 PolarHBondContact N-O 3Å; K152-A191 HydrophobicContact CG-CB 4.04Å; K152-Y193 HydrophobicContact CB-CE2 4.15Å; K152-Y193 HydrophobicContact CD-CE2 4.14Å; K152-Y193 HydrophobicContact CG-CE2 4.15Å |
| 153 | W | 98.9 | Very high | 98 | Very high | 2 Ų | 2 | 31.8 Ų | 31.8 | 1% | 0.008 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 129.6 | 179.8 | -72.5 | 77.2 | 0 | 0 | 0 | 110.9 | V37 M39 L79 L145 V146 F162 L165 F189 A191 I192 Y193 | V37-W153 HydrophobicContact CB-CD2 4.36Å; V37-W153 HydrophobicContact CB-CE3 4.42Å; V37-W153 HydrophobicContact CG1-CD2 4.48Å; V37-W153 HydrophobicContact CG1-CE3 4.12Å; V37-W153 HydrophobicContact CG1-CH2 4.14Å; V37-W153 HydrophobicContact CG1-CZ2 4.48Å; V37-W153 HydrophobicContact CG1-CZ3 3.94Å; V37-W153 CarbonylContact O-C 3.45Å; V37-W153 WeakPolarHBondContact O-CA 3.43Å; M39-W153 HydrophobicContact CB-CE3 3.96Å; M39-W153 HydrophobicContact CB-CZ3 3.89Å; M39-W153 HydrophobicContact CG-CE3 4.41Å; M39-W153 HydrophobicContact CG-CZ3 3.98Å; L79-W153 HydrophobicContact CD2-CH2 4Å; L79-W153 HydrophobicContact CD2-CZ3 3.69Å; L145-W153 HydrophobicContact CB-CZ2 4.19Å; L145-W153 HydrophobicContact CD2-CZ2 4.32Å; L145-W153 WeakPolarHBondContact O-CZ2 3.49Å; L145-W153 PolarHBondContact O-NE1 2.72Å; L145-W153 VanDerWaalsContact O-NE1 3.15Å; V146-W153 HydrophobicContact CG1-CZ2 4.14Å; W153-F162 HydrophobicContact CB-CZ 4.13Å; W153-F162 HydrophobicContact CE3-CE1 4.41Å; W153-L165 HydrophobicContact CZ3-CD1 4.18Å; W153-F189 AromaticContact CD1-CD1 3.8Å; W153-F189 AromaticContact CD2-CD1 3.67Å; W153-F189 HydrophobicContact CD2-CD1 3.67Å; W153-F189 AromaticContact CD2-CE1 3.99Å; W153-F189 HydrophobicContact CD2-CE1 3.99Å; W153-F189 AromaticContact CE2-CD1 3.43Å; W153-F189 VanDerWaalsContact CE2-CD1 3.43Å; W153-F189 AromaticContact CE2-CE1 3.62Å; W153-F189 HydrophobicContact CE3-CD1 4.31Å; W153-F189 HydrophobicContact CE3-CE1 4.25Å; W153-F189 AromaticContact CG-CD1 3.91Å; W153-F189 HydrophobicContact CG-CD1 3.91Å; W153-F189 HydrophobicContact CH2-CD1 4.47Å; W153-F189 AromaticContact CH2-CE1 3.84Å; W153-F189 HydrophobicContact CH2-CE1 3.84Å; W153-F189 AromaticContact CZ2-CD1 3.87Å; W153-F189 HydrophobicContact CZ2-CD1 3.87Å; W153-F189 AromaticContact CZ2-CE1 3.54Å; W153-F189 HydrophobicContact CZ2-CE1 3.54Å; W153-F189 HydrophobicContact CZ3-CE1 4.18Å; W153-F189 AromaticContact NE1-CD1 3.52Å; W153-A191 PolarHBondContact N-O 3.46Å; W153-I192 HydrophobicContact CB-CG1 4.27Å; W153-I192 CarbonylContact O-C 3.58Å; W153-I192 WeakPolarHBondContact O-CA 3.22Å; W153-Y193 PolarHBondContact O-N 3.23Å |
| 154 | L | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 134.3 | 177 | -47.3 | 177.3 | 0 | 0 | 0 | 108.6 | Y36 V37 A38 M39 M82 Y193 F238 F239 | Y36-L154 HydrophobicContact CD1-CD1 4.08Å; Y36-L154 HydrophobicContact CD1-CD2 4.05Å; Y36-L154 HydrophobicContact CD1-CG 4.29Å; V37-L154 PolarHBondContact O-N 3.38Å; A38-L154 CarbonylContact C-O 3.56Å; A38-L154 VanDerWaalsContact CA-O 3.27Å; A38-L154 WeakPolarHBondContact CA-O 3.41Å; A38-L154 HydrophobicContact CB-CB 3.99Å; A38-L154 HydrophobicContact CB-CD1 4.39Å; M39-L154 PolarHBondContact N-O 3.5Å; M82-L154 HydrophobicContact CE-CD1 3.79Å; L154-Y193 HydrophobicContact CD2-CD2 3.96Å; L154-F238 HydrophobicContact CD1-CB 3.96Å; L154-F238 HydrophobicContact CD1-CD1 3.47Å; L154-F238 VanDerWaalsContact CD1-CD1 3.47Å; L154-F238 HydrophobicContact CD1-CE1 4.09Å; L154-F238 HydrophobicContact CD1-CG 3.74Å; L154-F238 HydrophobicContact CD2-CD1 3.72Å; L154-F238 HydrophobicContact CD2-CD2 3.72Å; L154-F238 HydrophobicContact CD2-CE1 3.68Å; L154-F238 HydrophobicContact CD2-CE2 3.68Å; L154-F238 HydrophobicContact CD2-CG 3.74Å; L154-F238 HydrophobicContact CD2-CZ 3.65Å; L154-F238 HydrophobicContact CG-CD1 4.2Å; L154-F238 HydrophobicContact CG-CG 4.21Å; L154-F239 HydrophobicContact CD1-CE2 3.99Å |
| 155 | S | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 173.7 | -174.2 | 67.8 | 0 | 0 | 0 | 0 | 111.4 | S158 Y193 V195 | S155-S158 WeakPolarHBondContact CB-OG 3.21Å; S155-S158 WeakPolarHBondContact OG-CB 3.3Å; S155-S158 PolarHBondContact OG-OG 2.84Å; S155-Y193 PolarHBondContact N-O 2.83Å; S155-Y193 VanDerWaalsContact N-O 3.14Å; S155-V195 WeakPolarHBondContact O-CB 3.35Å; S155-V195 WeakPolarHBondContact O-CG2 3.49Å; S155-V195 PolarHBondContact O-N 2.96Å |
| 156 | F | 98.7 | Very high | 98.1 | Very high | 18 Ų | 18 | 30.6 Ų | 30.6 | 8% | 0.079 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -138.2 | 114.2 | 176.6 | -172.6 | -81.1 | 0 | 0 | 0 | 110.9 | V195 K196 M199 L209 V212 T234 | F156-V195 HydrophobicContact CD2-CB 3.85Å; F156-V195 HydrophobicContact CD2-CG1 3.73Å; F156-V195 HydrophobicContact CE2-CG1 4.12Å; F156-K196 HydrophobicContact CD1-CB 4.45Å; F156-K196 HydrophobicContact CD2-CB 4.4Å; F156-K196 HydrophobicContact CE1-CB 4.4Å; F156-K196 HydrophobicContact CE1-CD 3.8Å; F156-K196 HydrophobicContact CE2-CB 4.34Å; F156-K196 HydrophobicContact CE2-CD 4.14Å; F156-K196 HydrophobicContact CG-CB 4.45Å; F156-K196 HydrophobicContact CZ-CB 4.34Å; F156-K196 HydrophobicContact CZ-CD 3.51Å; F156-K196 HydrophobicContact CZ-CG 4.49Å; F156-M199 HydrophobicContact CE2-SD 3.67Å; F156-M199 HydrophobicContact CZ-SD 4.21Å; F156-L209 HydrophobicContact CB-CD1 4.36Å; F156-L209 HydrophobicContact CD1-CB 3.97Å; F156-L209 HydrophobicContact CD2-CB 4.4Å; F156-L209 HydrophobicContact CD2-CD1 3.78Å; F156-L209 HydrophobicContact CE1-CB 3.96Å; F156-L209 HydrophobicContact CE2-CB 4.4Å; F156-L209 HydrophobicContact CE2-CD1 4.21Å; F156-L209 HydrophobicContact CG-CB 4.21Å; F156-L209 HydrophobicContact CG-CD1 4.03Å; F156-L209 HydrophobicContact CZ-CB 4.18Å; F156-L209 VanDerWaalsContact CZ-N 3.35Å; F156-V212 HydrophobicContact CE2-CB 4.48Å; F156-V212 HydrophobicContact CE2-CG2 4.17Å; F156-V212 HydrophobicContact CZ-CG2 4.25Å; F156-T234 HydrophobicContact CB-CG2 4.25Å |
| 157 | H | 97.8 | Very high | 98.1 | Very high | 103 Ų | 103 | 33 Ų | 33 | 48% | 0.477 | 16% | 0.161 | S | C | . | . | S | Bend | trans | 56.4 | 50.8 | 179.4 | -164.4 | -172.4 | 0 | 0 | 0 | 113.1 | G159 D194 K196 Y260 | H157-G159 PolarHBondContact O-N 3.37Å; H157-D194 PolarHBondContact N-OD1 3.07Å; H157-D194 PolarHBondContact N-OD2 3.38Å; H157-K196 HydrophobicContact CB-CB 4.07Å; H157-K196 HydrophobicContact CB-CG 4.1Å; H157-Y260 AromaticContact CD2-CD1 3.34Å; H157-Y260 WeakPolarHBondContact CD2-CD1 3.36Å; H157-Y260 AromaticContact NE2-CD1 3.45Å; H157-Y260 WeakPolarHBondContact NE2-CD1 3.37Å; H157-Y260 AromaticContact NE2-CE1 3.78Å |
| 158 | S | 98.3 | Very high | 98.1 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 14% | 0.142 | C | C | . | . | trans | -99.7 | 19.4 | -148.8 | 58.6 | 0 | 0 | 0 | 0 | 116.7 | S155 Y160 D161 F162 D194 | S155-S158 WeakPolarHBondContact CB-OG 3.21Å; S155-S158 WeakPolarHBondContact OG-CB 3.3Å; S155-S158 PolarHBondContact OG-OG 2.84Å; S158-Y160 PolarHBondContact O-N 3.04Å; S158-D161 VanDerWaalsContact CA-OD2 3.22Å; S158-D161 WeakPolarHBondContact CA-OD2 3.41Å; S158-D161 WeakPolarHBondContact CB-OD2 3.42Å; S158-D161 PolarHBondContact O-N 3.08Å; S158-F162 WeakPolarHBondContact O-CD2 3.15Å; S158-F162 PolarHBondContact O-N 3.43Å; S158-F162 VanDerWaalsContact O-N 3.09Å; S158-F162 WeakPolarHBondContact OG-CE2 3.49Å; S158-D194 PolarHBondContact N-OD2 2.86Å; S158-D194 PolarHBondContact OG-OD2 2.96Å | ||
| 159 | G | 98.1 | Very high | 98.2 | Very high | 6 Ų | 6 | 28.1 Ų | 28.1 | 6% | 0.062 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -54.7 | -54.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L65 H157 G163 | L65-G159 WeakPolarHBondContact CD1-O 3.48Å; H157-G159 PolarHBondContact O-N 3.37Å; G159-G163 PolarHBondContact O-N 3.4Å |
| 160 | Y | 98.6 | Very high | 98.4 | Very high | 47 Ų | 47 | 21.9 Ų | 21.9 | 18% | 0.184 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -64.5 | -41.3 | -179.8 | -82.8 | -97.3 | 0 | 0 | 0 | 112.3 | F43 V46 L64 L65 N68 V69 S158 F162 G163 Y164 | F43-Y160 HydrophobicContact CE1-CG 4.42Å; F43-Y160 AromaticContact CE2-CD1 3.86Å; F43-Y160 HydrophobicContact CE2-CD1 3.86Å; F43-Y160 HydrophobicContact CE2-CE1 4.42Å; F43-Y160 HydrophobicContact CE2-CG 4.31Å; F43-Y160 AromaticContact CZ-CD1 3.76Å; F43-Y160 HydrophobicContact CZ-CD1 3.76Å; F43-Y160 AromaticContact CZ-CG 3.74Å; F43-Y160 HydrophobicContact CZ-CG 3.74Å; V46-Y160 HydrophobicContact CG2-CE1 4.14Å; L64-Y160 PolarHBondContact O-OH 2.98Å; L65-Y160 HydrophobicContact CB-CE1 4.39Å; L65-Y160 HydrophobicContact CB-CE2 4.09Å; L65-Y160 HydrophobicContact CD1-CD2 4.34Å; L65-Y160 HydrophobicContact CG-CD1 4.28Å; L65-Y160 HydrophobicContact CG-CD2 4.22Å; L65-Y160 HydrophobicContact CG-CE1 4.36Å; L65-Y160 HydrophobicContact CG-CE2 4.29Å; L65-Y160 HydrophobicContact CG-CG 4.22Å; N68-Y160 HydrophobicContact CB-CE1 4.06Å; V69-Y160 HydrophobicContact CG2-CD1 3.72Å; V69-Y160 HydrophobicContact CG2-CE1 4.21Å; S158-Y160 PolarHBondContact O-N 3.04Å; Y160-F162 PolarHBondContact O-N 3.02Å; Y160-G163 CarbonylContact O-C 3.54Å; Y160-G163 WeakPolarHBondContact O-CA 3.36Å; Y160-G163 PolarHBondContact O-N 2.83Å; Y160-Y164 HydrophobicContact CD1-CE2 4.47Å; Y160-Y164 VanDerWaalsContact O-CD2 3.24Å; Y160-Y164 WeakPolarHBondContact O-CD2 3.06Å; Y160-Y164 PolarHBondContact O-N 3.36Å |
| 161 | D | 98.8 | Very high | 98.5 | Very high | 9 Ų | 9 | 23 Ų | 23 | 5% | 0.048 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -57.4 | -51.1 | -179.4 | -53.2 | -41.9 | 0 | 0 | 0 | 111.5 | M39 T41 S158 G163 Y164 L165 | M39-D161 HydrophobicContact CE-CB 3.52Å; M39-D161 HydrophobicContact SD-CB 3.68Å; T41-D161 HydrophobicContact CG2-CB 3.97Å; T41-D161 PolarHBondContact N-OD1 2.64Å; T41-D161 PolarHBondContact OG1-OD1 3.3Å; S158-D161 VanDerWaalsContact CA-OD2 3.22Å; S158-D161 WeakPolarHBondContact CA-OD2 3.41Å; S158-D161 WeakPolarHBondContact CB-OD2 3.42Å; S158-D161 PolarHBondContact O-N 3.08Å; D161-G163 VanDerWaalsContact C-N 3.31Å; D161-G163 PolarHBondContact O-N 3.27Å; D161-Y164 PolarHBondContact O-N 3.13Å; D161-L165 PolarHBondContact O-N 2.89Å |
| 162 | F | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -69.2 | -30.3 | 175.7 | -77.8 | -64.3 | 0 | 0 | 0 | 112.6 | M39 W153 S158 Y160 L165 V166 L185 F189 I192 L259 | M39-F162 HydrophobicContact CE-CD1 4.22Å; M39-F162 HydrophobicContact CE-CD2 4.33Å; M39-F162 HydrophobicContact CE-CE1 3.98Å; M39-F162 HydrophobicContact CE-CE2 4.1Å; M39-F162 HydrophobicContact CE-CG 4.39Å; M39-F162 HydrophobicContact CE-CZ 3.91Å; W153-F162 HydrophobicContact CB-CZ 4.13Å; W153-F162 HydrophobicContact CE3-CE1 4.41Å; S158-F162 WeakPolarHBondContact O-CD2 3.15Å; S158-F162 PolarHBondContact O-N 3.43Å; S158-F162 VanDerWaalsContact O-N 3.09Å; S158-F162 WeakPolarHBondContact OG-CE2 3.49Å; Y160-F162 PolarHBondContact O-N 3.02Å; F162-L165 HydrophobicContact CD1-CD1 4.35Å; F162-L165 PolarHBondContact O-N 3.02Å; F162-V166 WeakPolarHBondContact O-CB 3.24Å; F162-V166 VanDerWaalsContact O-CG2 3.3Å; F162-V166 WeakPolarHBondContact O-CG2 3.38Å; F162-V166 PolarHBondContact O-N 3.05Å; F162-L185 HydrophobicContact CB-CD1 3.65Å; F162-L185 HydrophobicContact CD1-CD1 3.74Å; F162-L185 HydrophobicContact CG-CD1 3.82Å; F162-F189 HydrophobicContact CD1-CD1 4.39Å; F162-F189 HydrophobicContact CD1-CD2 4.02Å; F162-F189 HydrophobicContact CD1-CE1 4.47Å; F162-F189 HydrophobicContact CD1-CE2 4.11Å; F162-F189 HydrophobicContact CD1-CG 4.17Å; F162-F189 HydrophobicContact CD1-CZ 4.35Å; F162-F189 HydrophobicContact CE1-CB 4.35Å; F162-F189 AromaticContact CE1-CD1 3.82Å; F162-F189 HydrophobicContact CE1-CD1 3.82Å; F162-F189 HydrophobicContact CE1-CD2 4.19Å; F162-F189 HydrophobicContact CE1-CE1 4.13Å; F162-F189 HydrophobicContact CE1-CE2 4.47Å; F162-F189 AromaticContact CE1-CG 3.86Å; F162-F189 HydrophobicContact CE1-CG 3.86Å; F162-F189 HydrophobicContact CE1-CZ 4.46Å; F162-I192 HydrophobicContact CD1-CD1 4.21Å; F162-I192 HydrophobicContact CD2-CD1 4.33Å; F162-I192 HydrophobicContact CD2-CG2 4.45Å; F162-I192 HydrophobicContact CE1-CD1 3.86Å; F162-I192 HydrophobicContact CE1-CG1 4.14Å; F162-I192 HydrophobicContact CE2-CD1 3.99Å; F162-I192 HydrophobicContact CE2-CG1 4.27Å; F162-I192 HydrophobicContact CE2-CG2 3.46Å; F162-I192 VanDerWaalsContact CE2-CG2 3.46Å; F162-I192 HydrophobicContact CG-CD1 4.44Å; F162-I192 HydrophobicContact CZ-CB 4.33Å; F162-I192 HydrophobicContact CZ-CD1 3.74Å; F162-I192 HydrophobicContact CZ-CG1 3.76Å; F162-I192 HydrophobicContact CZ-CG2 3.63Å; F162-L259 HydrophobicContact CB-CD1 4.45Å; F162-L259 HydrophobicContact CD2-CD1 4.3Å; F162-L259 HydrophobicContact CD2-CD2 3.72Å; F162-L259 HydrophobicContact CE2-CD2 3.95Å |
| 163 | G | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -55.5 | -50.2 | 168.6 | 0 | 0 | 0 | 0 | 0 | 112 | G159 Y160 D161 V166 K167 | G159-G163 PolarHBondContact O-N 3.4Å; Y160-G163 CarbonylContact O-C 3.54Å; Y160-G163 WeakPolarHBondContact O-CA 3.36Å; Y160-G163 PolarHBondContact O-N 2.83Å; D161-G163 VanDerWaalsContact C-N 3.31Å; D161-G163 PolarHBondContact O-N 3.27Å; G163-V166 PolarHBondContact O-N 3.36Å; G163-K167 WeakPolarHBondContact O-CB 3.41Å; G163-K167 PolarHBondContact O-N 3.31Å |
| 164 | Y | 98.9 | Very high | 98.4 | Very high | 7 Ų | 7 | 31.4 Ų | 31.4 | 3% | 0.027 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.4 | -42.1 | 177.4 | -80 | -72.5 | 0 | 0 | 0 | 112.3 | F43 V69 L72 I74 Y160 D161 K167 L168 | F43-Y164 HydrophobicContact CB-CD2 4.36Å; F43-Y164 HydrophobicContact CB-CE1 4.45Å; F43-Y164 HydrophobicContact CB-CE2 3.55Å; F43-Y164 WeakPolarHBondContact CB-OH 3.46Å; F43-Y164 AromaticContact CD1-CD2 3.99Å; F43-Y164 HydrophobicContact CD1-CD2 3.99Å; F43-Y164 AromaticContact CD1-CE2 3.5Å; F43-Y164 HydrophobicContact CD1-CE2 3.5Å; F43-Y164 VanDerWaalsContact CD1-CE2 3.5Å; F43-Y164 AromaticContact CD2-CE2 3.65Å; F43-Y164 HydrophobicContact CD2-CE2 3.65Å; F43-Y164 AromaticContact CD2-CZ 3.96Å; F43-Y164 WeakPolarHBondContact CD2-OH 3.45Å; F43-Y164 HydrophobicContact CE1-CD2 4.5Å; F43-Y164 HydrophobicContact CE1-CE2 4.04Å; F43-Y164 HydrophobicContact CE2-CE2 4.18Å; F43-Y164 HydrophobicContact CG-CD2 4.17Å; F43-Y164 AromaticContact CG-CE2 3.28Å; F43-Y164 HydrophobicContact CG-CE2 3.28Å; F43-Y164 AromaticContact CG-CZ 3.75Å; F43-Y164 HydrophobicContact CZ-CE2 4.36Å; V69-Y164 HydrophobicContact CG1-CD1 4.04Å; V69-Y164 HydrophobicContact CG1-CE1 4.26Å; V69-Y164 HydrophobicContact CG1-CG 4.24Å; V69-Y164 HydrophobicContact CG2-CD2 4.21Å; V69-Y164 HydrophobicContact CG2-CE2 4.01Å; L72-Y164 WeakPolarHBondContact CB-OH 3.36Å; I74-Y164 HydrophobicContact CB-CD1 3.84Å; I74-Y164 HydrophobicContact CB-CE1 4.32Å; I74-Y164 HydrophobicContact CB-CG 4.21Å; Y160-Y164 HydrophobicContact CD1-CE2 4.47Å; Y160-Y164 VanDerWaalsContact O-CD2 3.24Å; Y160-Y164 WeakPolarHBondContact O-CD2 3.06Å; Y160-Y164 PolarHBondContact O-N 3.36Å; D161-Y164 PolarHBondContact O-N 3.13Å; Y164-K167 PolarHBondContact O-N 3.15Å; Y164-L168 WeakPolarHBondContact O-CB 3.35Å; Y164-L168 PolarHBondContact O-N 3.41Å |
| 165 | L | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -65 | -41.3 | 178 | -69.6 | -176.5 | 0 | 0 | 0 | 112.6 | M39 L77 W153 D161 F162 L168 L169 F189 | M39-L165 HydrophobicContact CE-CD1 3.84Å; M39-L165 HydrophobicContact CG-CD1 4.43Å; M39-L165 HydrophobicContact SD-CD1 4.39Å; L77-L165 HydrophobicContact CD1-CD2 4.11Å; L77-L165 HydrophobicContact CD2-CD2 3.96Å; W153-L165 HydrophobicContact CZ3-CD1 4.18Å; D161-L165 PolarHBondContact O-N 2.89Å; F162-L165 HydrophobicContact CD1-CD1 4.35Å; F162-L165 PolarHBondContact O-N 3.02Å; L165-L168 PolarHBondContact O-N 3.13Å; L165-L169 VanDerWaalsContact O-CB 3.32Å; L165-L169 WeakPolarHBondContact O-CB 3.22Å; L165-L169 WeakPolarHBondContact O-CD1 3.42Å; L165-L169 VanDerWaalsContact O-CG 3.25Å; L165-L169 WeakPolarHBondContact O-CG 3.4Å; L165-L169 PolarHBondContact O-N 3.49Å; L165-F189 HydrophobicContact CB-CE2 4.26Å; L165-F189 HydrophobicContact CB-CZ 3.83Å; L165-F189 HydrophobicContact CD1-CE1 4.05Å; L165-F189 HydrophobicContact CD1-CZ 3.81Å; L165-F189 HydrophobicContact CG-CZ 4.46Å |
| 166 | V | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63 | -50.2 | 174.9 | 170.5 | 0 | 0 | 0 | 0 | 110 | F162 G163 L168 L169 T170 L174 F181 I184 L185 F189 | F162-V166 WeakPolarHBondContact O-CB 3.24Å; F162-V166 VanDerWaalsContact O-CG2 3.3Å; F162-V166 WeakPolarHBondContact O-CG2 3.38Å; F162-V166 PolarHBondContact O-N 3.05Å; G163-V166 PolarHBondContact O-N 3.36Å; V166-L168 VanDerWaalsContact C-N 3.26Å; V166-L168 PolarHBondContact O-N 2.84Å; V166-L169 PolarHBondContact O-N 3.38Å; V166-T170 HydrophobicContact CG1-CG2 4.18Å; V166-T170 WeakPolarHBondContact O-CB 3.03Å; V166-T170 WeakPolarHBondContact O-CG2 3.28Å; V166-T170 PolarHBondContact O-N 3.38Å; V166-T170 PolarHBondContact O-OG1 3.14Å; V166-L174 HydrophobicContact CB-CD2 3.9Å; V166-L174 HydrophobicContact CG1-CD2 3.63Å; V166-F181 HydrophobicContact CB-CE2 4.08Å; V166-F181 HydrophobicContact CG1-CD2 4.4Å; V166-F181 HydrophobicContact CG1-CE2 4.35Å; V166-F181 HydrophobicContact CG2-CE2 3.91Å; V166-I184 HydrophobicContact CG1-CG2 3.88Å; V166-L185 HydrophobicContact CG2-CB 4.45Å; V166-L185 HydrophobicContact CG2-CD1 3.87Å; V166-F189 HydrophobicContact CG2-CE2 4.46Å |
| 167 | K | 98.7 | Very high | 98 | Very high | 52 Ų | 52 | 42 Ų | 42 | 23% | 0.226 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -52.8 | -46.2 | 176.1 | 169.5 | 176.5 | 167.5 | 179.1 | 0 | 111.6 | V69 D70 L72 G163 Y164 T170 D171 L174 | V69-K167 HydrophobicContact CG1-CB 4.12Å; V69-K167 HydrophobicContact CG1-CD 3.89Å; V69-K167 WeakPolarHBondContact O-CD 3.35Å; V69-K167 PolarHBondContact O-NZ 2.98Å; D70-K167 PolarHBondContact O-NZ 3.33Å; L72-K167 PolarHBondContact O-NZ 2.96Å; G163-K167 WeakPolarHBondContact O-CB 3.41Å; G163-K167 PolarHBondContact O-N 3.31Å; Y164-K167 PolarHBondContact O-N 3.15Å; K167-T170 PolarHBondContact O-OG1 2.68Å; K167-D171 WeakPolarHBondContact O-CA 3.27Å; K167-D171 PolarHBondContact O-N 3.45Å; K167-L174 HydrophobicContact CB-CD2 4.21Å; K167-L174 HydrophobicContact CB-CG 4.47Å |
| 168 | L | 97.8 | Very high | 97.9 | Very high | 13 Ų | 13 | 38.4 Ų | 38.4 | 7% | 0.068 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.8 | -46.4 | 179.7 | -179.5 | 149.2 | 0 | 0 | 0 | 112 | F99 T133 F136 A137 Y164 L165 V166 | F99-L168 HydrophobicContact CZ-CD1 4.49Å; T133-L168 HydrophobicContact CG2-CD1 4.27Å; F136-L168 HydrophobicContact CD1-CD1 3.9Å; F136-L168 HydrophobicContact CD1-CD2 3.99Å; F136-L168 HydrophobicContact CE1-CD2 4.46Å; A137-L168 HydrophobicContact CB-CD2 3.4Å; A137-L168 VanDerWaalsContact CB-CD2 3.4Å; A137-L168 HydrophobicContact CB-CG 4.07Å; A137-L168 WeakPolarHBondContact CB-O 3.46Å; Y164-L168 WeakPolarHBondContact O-CB 3.35Å; Y164-L168 PolarHBondContact O-N 3.41Å; L165-L168 PolarHBondContact O-N 3.13Å; V166-L168 VanDerWaalsContact C-N 3.26Å; V166-L168 PolarHBondContact O-N 2.84Å |
| 169 | L | 98.4 | Very high | 97.7 | Very high | 12 Ų | 12 | 44 Ų | 44 | 6% | 0.063 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -73.8 | -28.4 | -177 | -74 | 165.4 | 0 | 0 | 0 | 113.3 | L140 M141 V146 L165 V166 F188 F189 | L140-L169 HydrophobicContact CD2-CD2 3.89Å; L140-L169 HydrophobicContact CD2-CG 4.39Å; L140-L169 HydrophobicContact CG-CD2 4.2Å; M141-L169 HydrophobicContact CE-CB 4.44Å; M141-L169 HydrophobicContact CE-CD2 3.97Å; M141-L169 WeakPolarHBondContact CE-O 3.49Å; V146-L169 HydrophobicContact CG1-CD1 4.08Å; V146-L169 HydrophobicContact CG2-CD2 4.37Å; L165-L169 VanDerWaalsContact O-CB 3.32Å; L165-L169 WeakPolarHBondContact O-CB 3.22Å; L165-L169 WeakPolarHBondContact O-CD1 3.42Å; L165-L169 VanDerWaalsContact O-CG 3.25Å; L165-L169 WeakPolarHBondContact O-CG 3.4Å; L165-L169 PolarHBondContact O-N 3.49Å; V166-L169 PolarHBondContact O-N 3.38Å; L169-F188 HydrophobicContact CB-CD1 4.38Å; L169-F188 HydrophobicContact CB-CD2 4.49Å; L169-F188 HydrophobicContact CB-CE1 4Å; L169-F188 HydrophobicContact CB-CE2 4.1Å; L169-F188 HydrophobicContact CB-CZ 3.85Å; L169-F188 HydrophobicContact CD1-CB 4.23Å; L169-F188 HydrophobicContact CD1-CD1 3.86Å; L169-F188 HydrophobicContact CD1-CD2 4.38Å; L169-F188 HydrophobicContact CD1-CE1 4.3Å; L169-F188 HydrophobicContact CD1-CG 3.91Å; L169-F189 HydrophobicContact CD1-CE2 3.97Å; L169-F189 HydrophobicContact CD1-CZ 3.68Å |
| 170 | T | 98.3 | Very high | 97.6 | Very high | 47 Ų | 47 | 47 Ų | 47 | 29% | 0.288 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -90.9 | -14.7 | 178.1 | 59.8 | 0 | 0 | 0 | 0 | 113.6 | V166 K167 A172 I184 F188 | V166-T170 HydrophobicContact CG1-CG2 4.18Å; V166-T170 WeakPolarHBondContact O-CB 3.03Å; V166-T170 WeakPolarHBondContact O-CG2 3.28Å; V166-T170 PolarHBondContact O-N 3.38Å; V166-T170 PolarHBondContact O-OG1 3.14Å; K167-T170 PolarHBondContact O-OG1 2.68Å; T170-A172 PolarHBondContact O-N 3.09Å; T170-A172 PolarHBondContact OG1-N 2.9Å; T170-I184 HydrophobicContact CG2-CG2 3.99Å; T170-F188 HydrophobicContact CG2-CE2 3.87Å; T170-F188 HydrophobicContact CG2-CZ 4.4Å |
| 171 | D | 97.7 | Very high | 97.6 | Very high | 116 Ų | 116 | 44.7 Ų | 44.7 | 62% | 0.62 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 44.8 | 45.5 | -167.3 | -171.4 | 27 | 0 | 0 | 0 | 112.2 | L134 K167 | L134-D171 HydrophobicContact CD2-CB 3.81Å; L134-D171 VanDerWaalsContact CD2-OD1 3.27Å; L134-D171 WeakPolarHBondContact CD2-OD1 3.2Å; K167-D171 WeakPolarHBondContact O-CA 3.27Å; K167-D171 PolarHBondContact O-N 3.45Å |
| 172 | A | 97.8 | Very high | 97.5 | Very high | 49 Ų | 49 | 45 Ų | 45 | 41% | 0.405 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -148.5 | 160.3 | -172.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | T170 | T170-A172 PolarHBondContact O-N 3.09Å; T170-A172 PolarHBondContact OG1-N 2.9Å |
| 173 | R | 98.2 | Very high | 97.4 | Very high | 177 Ų | 177 | 49.7 Ų | 49.7 | 67% | 0.668 | 24% | 0.244 | S | C | * | . | P | Polyproline II helix | trans | -62.5 | 146.6 | 168.2 | -62 | -172.5 | 70.8 | 171.6 | 6.2 | 109.6 | D70 | D70-R173 WeakPolarHBondContact OD1-CA 3.48Å; D70-R173 IonicContact OD2-CZ 2.92Å; D70-R173 VanDerWaalsContact OD2-CZ 3.29Å; D70-R173 IonicContact OD2-NE 2.79Å; D70-R173 PolarHBondContact OD2-NE 3.11Å; D70-R173 IonicContact OD2-NH2 2.8Å; D70-R173 PolarHBondContact OD2-NH2 2.9Å |
| 174 | L | 98.6 | Very high | 97.4 | Very high | 3 Ų | 3 | 52.2 Ų | 52.2 | 2% | 0.016 | 26% | 0.257 | C | S | . | . | P | Polyproline II helix | trans | -63.3 | 146.9 | 177.5 | -71.9 | -175.6 | 0 | 0 | 0 | 111.1 | L65 R66 V69 D70 V166 K167 F181 | L65-L174 HydrophobicContact CD2-CD1 3.63Å; R66-L174 HydrophobicContact CG-CB 3.83Å; V69-L174 HydrophobicContact CB-CD1 3.86Å; V69-L174 HydrophobicContact CG1-CD1 3.68Å; V69-L174 HydrophobicContact CG1-CG 4.23Å; V69-L174 HydrophobicContact CG2-CD1 4.45Å; D70-L174 PolarHBondContact OD1-N 3.35Å; V166-L174 HydrophobicContact CB-CD2 3.9Å; V166-L174 HydrophobicContact CG1-CD2 3.63Å; K167-L174 HydrophobicContact CB-CD2 4.21Å; K167-L174 HydrophobicContact CB-CG 4.47Å; L174-F181 HydrophobicContact CD2-CD2 4.14Å; L174-F181 HydrophobicContact CD2-CE2 4.19Å |
| 175 | P | 98.1 | Very high | 97.4 | Very high | 25 Ų | 25 | 51.9 Ų | 51.9 | 16% | 0.162 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -53.5 | 147.4 | -179.3 | -29.1 | 37.6 | 0 | 0 | 0 | 113.2 | Y62 R66 E177 D180 F181 I184 | Y62-P175 WeakPolarHBondContact CE1-O 3.06Å; Y62-P175 PolarHBondContact OH-O 3.47Å; R66-P175 WeakPolarHBondContact CD-O 3.34Å; P175-E177 VanDerWaalsContact C-N 3.34Å; P175-E177 PolarHBondContact O-N 3.06Å; P175-D180 HydrophobicContact CB-CB 3.75Å; P175-D180 HydrophobicContact CG-CB 4.38Å; P175-F181 HydrophobicContact CB-CB 4.44Å; P175-F181 HydrophobicContact CG-CB 4.28Å; P175-I184 HydrophobicContact CG-CD1 3.71Å |
| 176 | E | 95.4 | Very high | 97.3 | Very high | 143 Ų | 143 | 55.1 Ų | 55.1 | 67% | 0.668 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -67.3 | -36.3 | -178.1 | -65.1 | -169 | 164.9 | 0 | 0 | 112.7 | Q63 | Q63-E176 PolarHBondContact NE2-O 2.94Š|
| 177 | E | 93.8 | Very high | 97.3 | Very high | 72 Ų | 72 | 60.8 Ų | 60.8 | 34% | 0.336 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -104 | 139.2 | -178.4 | -63.4 | -77.8 | 164.1 | 0 | 0 | 110.7 | R55 P175 H179 D180 F181 | R55-E177 IonicContact CZ-OE1 3.62Å; R55-E177 IonicContact CZ-OE2 3.77Å; R55-E177 IonicContact NH1-OE1 3.78Å; R55-E177 PolarHBondContact NH1-OE1 3.47Å; R55-E177 IonicContact NH1-OE2 3.67Å; R55-E177 PolarHBondContact NH1-OE2 2.87Å; R55-E177 IonicContact NH2-OE1 2.97Å; R55-E177 PolarHBondContact NH2-OE1 3.25Å; R55-E177 IonicContact NH2-OE2 3.44Å; P175-E177 VanDerWaalsContact C-N 3.34Å; P175-E177 PolarHBondContact O-N 3.06Å; E177-H179 PolarHBondContact O-N 3.45Å; E177-D180 PolarHBondContact O-N 2.88Å; E177-F181 PolarHBondContact O-N 3.14Å |
| 178 | E | 95.1 | Very high | 97.3 | Very high | 29 Ų | 29 | 59.4 Ų | 59.4 | 14% | 0.136 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -58.2 | -37.7 | -176.7 | -177.9 | -176.5 | -145.9 | 0 | 0 | 112.1 | Y62 D180 F181 F182 L262 G263 | Y62-E178 HydrophobicContact CD1-CB 3.73Å; Y62-E178 HydrophobicContact CD1-CG 4.48Å; Y62-E178 HydrophobicContact CD2-CB 4.12Å; Y62-E178 HydrophobicContact CD2-CG 4Å; Y62-E178 HydrophobicContact CE1-CB 4.26Å; Y62-E178 HydrophobicContact CG-CB 3.66Å; Y62-E178 HydrophobicContact CG-CG 3.92Å; E178-D180 VanDerWaalsContact C-N 3.32Å; E178-D180 PolarHBondContact O-N 2.88Å; E178-F181 WeakPolarHBondContact O-CB 3.49Å; E178-F181 PolarHBondContact O-N 2.79Å; E178-F182 HydrophobicContact CG-CD2 3.8Å; E178-F182 HydrophobicContact CG-CE2 3.71Å; E178-F182 WeakPolarHBondContact O-CD2 3.18Å; E178-F182 PolarHBondContact O-N 2.62Å; E178-L262 WeakPolarHBondContact OE1-CA 3.12Å; E178-L262 WeakPolarHBondContact OE1-CB 3.39Å; E178-G263 PolarHBondContact OE1-N 3.49Å |
| 179 | H | 94.7 | Very high | 97.3 | Very high | 117 Ų | 117 | 58.8 Ų | 58.8 | 54% | 0.542 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -58.3 | -44.3 | 179.9 | 175.2 | 60.6 | 0 | 0 | 0 | 112.4 | E177 F181 F182 Q183 | E177-H179 PolarHBondContact O-N 3.45Å; H179-F181 VanDerWaalsContact C-N 3.33Å; H179-F182 PolarHBondContact O-N 2.86Å; H179-Q183 PolarHBondContact CD2-NE2 3.34Å; H179-Q183 PolarHBondContact NE2-NE2 3.16Å; H179-Q183 WeakPolarHBondContact O-CG 3.15Å; H179-Q183 PolarHBondContact O-N 2.71Å |
| 180 | D | 96.8 | Very high | 97.3 | Very high | 68 Ų | 68 | 60.5 Ų | 60.5 | 36% | 0.364 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -70.5 | -33.6 | -178.3 | -60.9 | -25.5 | 0 | 0 | 0 | 110.9 | P175 E177 E178 Q183 I184 | P175-D180 HydrophobicContact CB-CB 3.75Å; P175-D180 HydrophobicContact CG-CB 4.38Å; E177-D180 PolarHBondContact O-N 2.88Å; E178-D180 VanDerWaalsContact C-N 3.32Å; E178-D180 PolarHBondContact O-N 2.88Å; D180-Q183 WeakPolarHBondContact O-CB 3.36Å; D180-Q183 PolarHBondContact O-N 3.39Å; D180-I184 PolarHBondContact O-N 3.39Å; D180-I184 VanDerWaalsContact O-N 3.13Å |
| 181 | F | 97.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59.1 | -47.8 | 169.2 | 167.4 | -98.8 | 0 | 0 | 0 | 111.9 | Y62 V166 L174 P175 E177 E178 H179 Q183 I184 L185 L259 | Y62-F181 HydrophobicContact CD2-CD1 4.46Å; Y62-F181 HydrophobicContact CE2-CB 3.64Å; Y62-F181 AromaticContact CE2-CD1 3.85Å; Y62-F181 HydrophobicContact CE2-CD1 3.85Å; Y62-F181 HydrophobicContact CE2-CD2 4.22Å; Y62-F181 AromaticContact CE2-CG 3.63Å; Y62-F181 HydrophobicContact CE2-CG 3.63Å; Y62-F181 VanDerWaalsContact OH-CB 3.29Å; Y62-F181 WeakPolarHBondContact OH-CB 3.3Å; V166-F181 HydrophobicContact CB-CE2 4.08Å; V166-F181 HydrophobicContact CG1-CD2 4.4Å; V166-F181 HydrophobicContact CG1-CE2 4.35Å; V166-F181 HydrophobicContact CG2-CE2 3.91Å; L174-F181 HydrophobicContact CD2-CD2 4.14Å; L174-F181 HydrophobicContact CD2-CE2 4.19Å; P175-F181 HydrophobicContact CB-CB 4.44Å; P175-F181 HydrophobicContact CG-CB 4.28Å; E177-F181 PolarHBondContact O-N 3.14Å; E178-F181 WeakPolarHBondContact O-CB 3.49Å; E178-F181 PolarHBondContact O-N 2.79Å; H179-F181 VanDerWaalsContact C-N 3.33Å; F181-Q183 VanDerWaalsContact C-N 3.3Å; F181-Q183 PolarHBondContact O-N 2.85Å; F181-I184 PolarHBondContact O-N 3.47Å; F181-L185 HydrophobicContact CE1-CD2 4.07Å; F181-L185 HydrophobicContact CZ-CD1 4.33Å; F181-L185 HydrophobicContact CZ-CD2 4.36Å; F181-L185 VanDerWaalsContact O-CB 3.26Å; F181-L185 WeakPolarHBondContact O-CB 3.44Å; F181-L185 PolarHBondContact O-N 3.28Å; F181-L259 HydrophobicContact CE1-CD1 4.34Å |
| 182 | F | 97.1 | Very high | 97.3 | Very high | 14 Ų | 14 | 53.3 Ų | 53.3 | 6% | 0.061 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.7 | -31.8 | 177.5 | -85.6 | -81.3 | 0 | 0 | 0 | 112.9 | E178 H179 L185 N186 L259 L262 | E178-F182 HydrophobicContact CG-CD2 3.8Å; E178-F182 HydrophobicContact CG-CE2 3.71Å; E178-F182 WeakPolarHBondContact O-CD2 3.18Å; E178-F182 PolarHBondContact O-N 2.62Å; H179-F182 PolarHBondContact O-N 2.86Å; F182-L185 HydrophobicContact CD1-CD2 3.87Å; F182-L185 HydrophobicContact CE1-CD2 3.98Å; F182-N186 WeakPolarHBondContact O-CB 3.32Å; F182-N186 PolarHBondContact O-N 2.83Å; F182-N186 PolarHBondContact O-ND2 3.33Å; F182-L259 HydrophobicContact CE1-CD1 4.16Å; F182-L259 HydrophobicContact CE1-CG 4.07Å; F182-L259 HydrophobicContact CZ-CB 4.44Å; F182-L259 HydrophobicContact CZ-CD1 4.19Å; F182-L259 HydrophobicContact CZ-CG 4.27Å; F182-L262 HydrophobicContact CE2-CB 4.05Å; F182-L262 HydrophobicContact CZ-CB 3.84Å |
| 183 | Q | 97.1 | Very high | 97.3 | Very high | 100 Ų | 100 | 51.1 Ų | 51.1 | 47% | 0.467 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -60.3 | -50.2 | 172.8 | -69.9 | -176.7 | 6.2 | 0 | 0 | 111 | H179 D180 F181 L187 | H179-Q183 PolarHBondContact CD2-NE2 3.34Å; H179-Q183 PolarHBondContact NE2-NE2 3.16Å; H179-Q183 WeakPolarHBondContact O-CG 3.15Å; H179-Q183 PolarHBondContact O-N 2.71Å; D180-Q183 WeakPolarHBondContact O-CB 3.36Å; D180-Q183 PolarHBondContact O-N 3.39Å; F181-Q183 VanDerWaalsContact C-N 3.3Å; F181-Q183 PolarHBondContact O-N 2.85Å; Q183-L187 WeakPolarHBondContact O-CG 3.45Å; Q183-L187 PolarHBondContact O-N 2.93Å |
| 184 | I | 98 | Very high | 97.4 | Very high | 53 Ų | 53 | 42.7 Ų | 42.7 | 27% | 0.272 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -66.4 | -43.7 | 179.3 | -64 | 176.3 | 0 | 0 | 0 | 111.1 | V166 T170 P175 D180 F181 N186 L187 F188 | V166-I184 HydrophobicContact CG1-CG2 3.88Å; T170-I184 HydrophobicContact CG2-CG2 3.99Å; P175-I184 HydrophobicContact CG-CD1 3.71Å; D180-I184 PolarHBondContact O-N 3.39Å; D180-I184 VanDerWaalsContact O-N 3.13Å; F181-I184 PolarHBondContact O-N 3.47Å; I184-N186 VanDerWaalsContact C-N 3.32Å; I184-N186 PolarHBondContact O-N 2.84Å; I184-L187 WeakPolarHBondContact O-CB 3.45Å; I184-L187 PolarHBondContact O-N 3.21Å; I184-L187 VanDerWaalsContact O-N 3.15Å; I184-F188 HydrophobicContact CG2-CD2 3.8Å; I184-F188 HydrophobicContact CG2-CE2 3.67Å; I184-F188 WeakPolarHBondContact O-CD2 3.39Å; I184-F188 PolarHBondContact O-N 3.38Å |
| 185 | L | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -54.2 | -49.9 | 178 | -179.3 | 72.1 | 0 | 0 | 0 | 111.2 | F162 V166 F181 F182 L187 F188 F189 I192 L259 | F162-L185 HydrophobicContact CB-CD1 3.65Å; F162-L185 HydrophobicContact CD1-CD1 3.74Å; F162-L185 HydrophobicContact CG-CD1 3.82Å; V166-L185 HydrophobicContact CG2-CB 4.45Å; V166-L185 HydrophobicContact CG2-CD1 3.87Å; F181-L185 HydrophobicContact CE1-CD2 4.07Å; F181-L185 HydrophobicContact CZ-CD1 4.33Å; F181-L185 HydrophobicContact CZ-CD2 4.36Å; F181-L185 VanDerWaalsContact O-CB 3.26Å; F181-L185 WeakPolarHBondContact O-CB 3.44Å; F181-L185 PolarHBondContact O-N 3.28Å; F182-L185 HydrophobicContact CD1-CD2 3.87Å; F182-L185 HydrophobicContact CE1-CD2 3.98Å; L185-L187 PolarHBondContact O-N 2.91Å; L185-F188 PolarHBondContact O-N 3.31Å; L185-F189 HydrophobicContact CD1-CD2 3.72Å; L185-F189 HydrophobicContact CD1-CE2 4.31Å; L185-F189 WeakPolarHBondContact O-CD2 3.26Å; L185-F189 PolarHBondContact O-N 2.9Å; L185-I192 HydrophobicContact CD1-CD1 4.03Å; L185-I192 HydrophobicContact CD2-CD1 3.87Å; L185-I192 HydrophobicContact CG-CD1 3.86Å; L185-L259 HydrophobicContact CD2-CD1 3.8Å; L185-L259 HydrophobicContact CD2-CG 4.38Å |
| 186 | N | 97.3 | Very high | 97.3 | Very high | 68 Ų | 68 | 43 Ų | 43 | 36% | 0.364 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -69.6 | -20 | -176.6 | -67.7 | -24.8 | 0 | 0 | 0 | 113.1 | F182 I184 P190 | F182-N186 WeakPolarHBondContact O-CB 3.32Å; F182-N186 PolarHBondContact O-N 2.83Å; F182-N186 PolarHBondContact O-ND2 3.33Å; I184-N186 VanDerWaalsContact C-N 3.32Å; I184-N186 PolarHBondContact O-N 2.84Å; N186-P190 WeakPolarHBondContact O-CA 3.29Å |
| 187 | L | 97.8 | Very high | 97.4 | Very high | 118 Ų | 118 | 38.9 Ų | 38.9 | 62% | 0.618 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -70.8 | -51.7 | 170.5 | -67 | 172.4 | 0 | 0 | 0 | 110.3 | L147 Q183 I184 L185 | L147-L187 WeakPolarHBondContact CD2-O 3.33Å; Q183-L187 WeakPolarHBondContact O-CG 3.45Å; Q183-L187 PolarHBondContact O-N 2.93Å; I184-L187 WeakPolarHBondContact O-CB 3.45Å; I184-L187 PolarHBondContact O-N 3.21Å; I184-L187 VanDerWaalsContact O-N 3.15Å; L185-L187 PolarHBondContact O-N 2.91Å |
| 188 | F | 98.7 | Very high | 97.6 | Very high | 23 Ų | 23 | 35.5 Ų | 35.5 | 10% | 0.101 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -69.9 | -35.3 | -178.9 | -74.5 | -64.3 | 0 | 0 | 0 | 113.1 | M141 V146 L147 L169 T170 I184 L185 | M141-F188 HydrophobicContact CE-CE1 3.77Å; M141-F188 HydrophobicContact CE-CZ 4.21Å; M141-F188 HydrophobicContact SD-CE1 3.9Å; V146-F188 CarbonylContact C-O 3.57Å; V146-F188 WeakPolarHBondContact CA-O 3.46Å; V146-F188 HydrophobicContact CB-CD1 4.34Å; V146-F188 HydrophobicContact CG2-CD1 4.44Å; L147-F188 HydrophobicContact CD1-CD1 4.39Å; L147-F188 HydrophobicContact CD1-CE1 4.28Å; L147-F188 HydrophobicContact CD2-CD1 3.63Å; L147-F188 HydrophobicContact CD2-CE1 3.97Å; L147-F188 HydrophobicContact CD2-CG 4.32Å; L147-F188 HydrophobicContact CG-CD1 3.83Å; L147-F188 HydrophobicContact CG-CE1 4.2Å; L147-F188 PolarHBondContact N-O 3.36Å; L169-F188 HydrophobicContact CB-CD1 4.38Å; L169-F188 HydrophobicContact CB-CD2 4.49Å; L169-F188 HydrophobicContact CB-CE1 4Å; L169-F188 HydrophobicContact CB-CE2 4.1Å; L169-F188 HydrophobicContact CB-CZ 3.85Å; L169-F188 HydrophobicContact CD1-CB 4.23Å; L169-F188 HydrophobicContact CD1-CD1 3.86Å; L169-F188 HydrophobicContact CD1-CD2 4.38Å; L169-F188 HydrophobicContact CD1-CE1 4.3Å; L169-F188 HydrophobicContact CD1-CG 3.91Å; T170-F188 HydrophobicContact CG2-CE2 3.87Å; T170-F188 HydrophobicContact CG2-CZ 4.4Å; I184-F188 HydrophobicContact CG2-CD2 3.8Å; I184-F188 HydrophobicContact CG2-CE2 3.67Å; I184-F188 WeakPolarHBondContact O-CD2 3.39Å; I184-F188 PolarHBondContact O-N 3.38Å; L185-F188 PolarHBondContact O-N 3.31Å |
| 189 | F | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.173 | C | C | . | . | trans | -131.3 | 77.8 | -171.4 | -53.2 | -81.5 | 0 | 0 | 0 | 110.1 | V146 W153 F162 L165 V166 L169 L185 A191 I192 | V146-F189 HydrophobicContact CG1-CD1 4.4Å; V146-F189 HydrophobicContact CG1-CE1 3.72Å; V146-F189 HydrophobicContact CG1-CZ 4.04Å; W153-F189 AromaticContact CD1-CD1 3.8Å; W153-F189 AromaticContact CD2-CD1 3.67Å; W153-F189 HydrophobicContact CD2-CD1 3.67Å; W153-F189 AromaticContact CD2-CE1 3.99Å; W153-F189 HydrophobicContact CD2-CE1 3.99Å; W153-F189 AromaticContact CE2-CD1 3.43Å; W153-F189 VanDerWaalsContact CE2-CD1 3.43Å; W153-F189 AromaticContact CE2-CE1 3.62Å; W153-F189 HydrophobicContact CE3-CD1 4.31Å; W153-F189 HydrophobicContact CE3-CE1 4.25Å; W153-F189 AromaticContact CG-CD1 3.91Å; W153-F189 HydrophobicContact CG-CD1 3.91Å; W153-F189 HydrophobicContact CH2-CD1 4.47Å; W153-F189 AromaticContact CH2-CE1 3.84Å; W153-F189 HydrophobicContact CH2-CE1 3.84Å; W153-F189 AromaticContact CZ2-CD1 3.87Å; W153-F189 HydrophobicContact CZ2-CD1 3.87Å; W153-F189 AromaticContact CZ2-CE1 3.54Å; W153-F189 HydrophobicContact CZ2-CE1 3.54Å; W153-F189 HydrophobicContact CZ3-CE1 4.18Å; W153-F189 AromaticContact NE1-CD1 3.52Å; F162-F189 HydrophobicContact CD1-CD1 4.39Å; F162-F189 HydrophobicContact CD1-CD2 4.02Å; F162-F189 HydrophobicContact CD1-CE1 4.47Å; F162-F189 HydrophobicContact CD1-CE2 4.11Å; F162-F189 HydrophobicContact CD1-CG 4.17Å; F162-F189 HydrophobicContact CD1-CZ 4.35Å; F162-F189 HydrophobicContact CE1-CB 4.35Å; F162-F189 AromaticContact CE1-CD1 3.82Å; F162-F189 HydrophobicContact CE1-CD1 3.82Å; F162-F189 HydrophobicContact CE1-CD2 4.19Å; F162-F189 HydrophobicContact CE1-CE1 4.13Å; F162-F189 HydrophobicContact CE1-CE2 4.47Å; F162-F189 AromaticContact CE1-CG 3.86Å; F162-F189 HydrophobicContact CE1-CG 3.86Å; F162-F189 HydrophobicContact CE1-CZ 4.46Å; L165-F189 HydrophobicContact CB-CE2 4.26Å; L165-F189 HydrophobicContact CB-CZ 3.83Å; L165-F189 HydrophobicContact CD1-CE1 4.05Å; L165-F189 HydrophobicContact CD1-CZ 3.81Å; L165-F189 HydrophobicContact CG-CZ 4.46Å; V166-F189 HydrophobicContact CG2-CE2 4.46Å; L169-F189 HydrophobicContact CD1-CE2 3.97Å; L169-F189 HydrophobicContact CD1-CZ 3.68Å; L185-F189 HydrophobicContact CD1-CD2 3.72Å; L185-F189 HydrophobicContact CD1-CE2 4.31Å; L185-F189 WeakPolarHBondContact O-CD2 3.26Å; L185-F189 PolarHBondContact O-N 2.9Å; F189-A191 PolarHBondContact O-N 2.95Å; F189-I192 HydrophobicContact CB-CD1 3.7Å; F189-I192 HydrophobicContact CB-CG1 3.76Å | ||
| 190 | P | 97.5 | Very high | 97.7 | Very high | 48 Ų | 48 | 35.1 Ų | 35.1 | 31% | 0.312 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -62 | -30.1 | -173.1 | -25.8 | 36.3 | 0 | 0 | 0 | 114.2 | N186 | N186-P190 WeakPolarHBondContact O-CA 3.29Š|
| 191 | A | 98.1 | Very high | 97.5 | Very high | 12 Ų | 12 | 34.6 Ų | 34.6 | 10% | 0.099 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 110.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | K152 W153 F189 Y193 | K152-A191 HydrophobicContact CG-CB 4.04Å; W153-A191 PolarHBondContact N-O 3.46Å; F189-A191 PolarHBondContact O-N 2.95Å; A191-Y193 HydrophobicContact CB-CE2 4.48Å |
| 192 | I | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 133.1 | 176.1 | -58.4 | 168.1 | 0 | 0 | 0 | 109.5 | W153 F162 L185 F189 C256 G257 L259 | W153-I192 HydrophobicContact CB-CG1 4.27Å; W153-I192 CarbonylContact O-C 3.58Å; W153-I192 WeakPolarHBondContact O-CA 3.22Å; F162-I192 HydrophobicContact CD1-CD1 4.21Å; F162-I192 HydrophobicContact CD2-CD1 4.33Å; F162-I192 HydrophobicContact CD2-CG2 4.45Å; F162-I192 HydrophobicContact CE1-CD1 3.86Å; F162-I192 HydrophobicContact CE1-CG1 4.14Å; F162-I192 HydrophobicContact CE2-CD1 3.99Å; F162-I192 HydrophobicContact CE2-CG1 4.27Å; F162-I192 HydrophobicContact CE2-CG2 3.46Å; F162-I192 VanDerWaalsContact CE2-CG2 3.46Å; F162-I192 HydrophobicContact CG-CD1 4.44Å; F162-I192 HydrophobicContact CZ-CB 4.33Å; F162-I192 HydrophobicContact CZ-CD1 3.74Å; F162-I192 HydrophobicContact CZ-CG1 3.76Å; F162-I192 HydrophobicContact CZ-CG2 3.63Å; L185-I192 HydrophobicContact CD1-CD1 4.03Å; L185-I192 HydrophobicContact CD2-CD1 3.87Å; L185-I192 HydrophobicContact CG-CD1 3.86Å; F189-I192 HydrophobicContact CB-CD1 3.7Å; F189-I192 HydrophobicContact CB-CG1 3.76Å; I192-C256 CarbonylContact O-C 3.57Å; I192-C256 WeakPolarHBondContact O-CA 3.35Å; I192-G257 PolarHBondContact O-N 3.07Å; I192-L259 HydrophobicContact CD1-CD2 4.41Å; I192-L259 HydrophobicContact CG2-CD2 3.81Å |
| 193 | Y | 98.6 | Very high | 96.9 | Very high | 4 Ų | 4 | 43.8 Ų | 43.8 | 2% | 0.016 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 104.4 | 170.1 | -53.8 | -83.3 | 0 | 0 | 0 | 110.2 | K152 W153 L154 S155 A191 V195 F238 I250 D252 C256 | K152-Y193 HydrophobicContact CB-CE2 4.15Å; K152-Y193 HydrophobicContact CD-CE2 4.14Å; K152-Y193 HydrophobicContact CG-CE2 4.15Å; W153-Y193 PolarHBondContact O-N 3.23Å; L154-Y193 HydrophobicContact CD2-CD2 3.96Å; S155-Y193 PolarHBondContact N-O 2.83Å; S155-Y193 VanDerWaalsContact N-O 3.14Å; A191-Y193 HydrophobicContact CB-CE2 4.48Å; Y193-V195 PolarHBondContact O-N 3.41Å; Y193-F238 HydrophobicContact CG-CE2 4.16Å; Y193-I250 HydrophobicContact CD1-CG2 3.75Å; Y193-I250 HydrophobicContact CE1-CB 4.39Å; Y193-I250 HydrophobicContact CE1-CG2 3.64Å; Y193-D252 WeakPolarHBondContact CE1-OD1 3.34Å; Y193-D252 PolarHBondContact OH-OD1 3.15Å; Y193-C256 HydrophobicContact CE1-CB 4.09Å |
| 194 | D | 98.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 108.1 | 174.8 | -171.2 | -39.8 | 0 | 0 | 0 | 109.6 | H157 S158 K196 Y197 L198 R258 Y260 | H157-D194 PolarHBondContact N-OD1 3.07Å; H157-D194 PolarHBondContact N-OD2 3.38Å; S158-D194 PolarHBondContact N-OD2 2.86Å; S158-D194 PolarHBondContact OG-OD2 2.96Å; D194-K196 PolarHBondContact O-N 2.92Å; D194-K196 VanDerWaalsContact O-N 3.15Å; D194-K196 WeakPolarHBondContact OD1-CA 3.37Å; D194-K196 WeakPolarHBondContact OD1-CB 3.48Å; D194-K196 PolarHBondContact OD1-N 2.71Å; D194-Y197 WeakPolarHBondContact O-CA 3.31Å; D194-Y197 VanDerWaalsContact O-CB 3.3Å; D194-Y197 WeakPolarHBondContact O-CB 3.48Å; D194-Y197 PolarHBondContact O-N 3.16Å; D194-Y197 PolarHBondContact OD1-N 2.92Å; D194-L198 WeakPolarHBondContact O-CD1 3.37Å; D194-L198 PolarHBondContact O-N 3.35Å; D194-R258 VanDerWaalsContact CB-O 3.32Å; D194-R258 WeakPolarHBondContact CB-O 3.48Å; D194-Y260 PolarHBondContact OD2-N 2.78Å; D194-Y260 VanDerWaalsContact OD2-N 3.09Å |
| 195 | V | 98.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -52.4 | -39.4 | -179.2 | 171.4 | 0 | 0 | 0 | 0 | 111.1 | S155 F156 Y193 Y197 L198 M199 T234 F238 M241 | S155-V195 WeakPolarHBondContact O-CB 3.35Å; S155-V195 WeakPolarHBondContact O-CG2 3.49Å; S155-V195 PolarHBondContact O-N 2.96Å; F156-V195 HydrophobicContact CD2-CB 3.85Å; F156-V195 HydrophobicContact CD2-CG1 3.73Å; F156-V195 HydrophobicContact CE2-CG1 4.12Å; Y193-V195 PolarHBondContact O-N 3.41Å; V195-Y197 VanDerWaalsContact C-N 3.27Å; V195-Y197 PolarHBondContact O-N 3.47Å; V195-L198 PolarHBondContact O-N 2.94Å; V195-M199 HydrophobicContact CG1-CG 4.45Å; V195-M199 HydrophobicContact CG1-SD 4.27Å; V195-M199 WeakPolarHBondContact O-CG 3.28Å; V195-M199 PolarHBondContact O-N 3.04Å; V195-T234 HydrophobicContact CG2-CG2 4.45Å; V195-F238 HydrophobicContact CG2-CB 3.8Å; V195-F238 HydrophobicContact CG2-CD2 4.11Å; V195-F238 HydrophobicContact CG2-CG 4.47Å; V195-M241 HydrophobicContact CB-CE 4.35Å; V195-M241 HydrophobicContact CG1-CE 3.85Å; V195-M241 HydrophobicContact CG1-SD 4.32Å; V195-M241 HydrophobicContact CG2-CE 4.38Å |
| 196 | K | 98 | Very high | 96.1 | Very high | 33 Ų | 33 | 47.9 Ų | 47.9 | 14% | 0.143 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65 | -33.3 | 178.1 | -171 | 75.5 | -177.3 | -159.5 | 0 | 111.9 | F156 H157 D194 M199 G207 Y260 | F156-K196 HydrophobicContact CD1-CB 4.45Å; F156-K196 HydrophobicContact CD2-CB 4.4Å; F156-K196 HydrophobicContact CE1-CB 4.4Å; F156-K196 HydrophobicContact CE1-CD 3.8Å; F156-K196 HydrophobicContact CE2-CB 4.34Å; F156-K196 HydrophobicContact CE2-CD 4.14Å; F156-K196 HydrophobicContact CG-CB 4.45Å; F156-K196 HydrophobicContact CZ-CB 4.34Å; F156-K196 HydrophobicContact CZ-CD 3.51Å; F156-K196 HydrophobicContact CZ-CG 4.49Å; H157-K196 HydrophobicContact CB-CB 4.07Å; H157-K196 HydrophobicContact CB-CG 4.1Å; D194-K196 PolarHBondContact O-N 2.92Å; D194-K196 VanDerWaalsContact O-N 3.15Å; D194-K196 WeakPolarHBondContact OD1-CA 3.37Å; D194-K196 WeakPolarHBondContact OD1-CB 3.48Å; D194-K196 PolarHBondContact OD1-N 2.71Å; K196-M199 HydrophobicContact CD-CE 4.26Å; K196-M199 HydrophobicContact CD-SD 4.16Å; K196-G207 PolarHBondContact NZ-O 3Å; K196-Y260 HydrophobicContact CB-CD2 4.19Å; K196-Y260 HydrophobicContact CB-CG 4.17Å; K196-Y260 HydrophobicContact CG-CD1 4.08Å; K196-Y260 HydrophobicContact CG-CD2 3.47Å; K196-Y260 VanDerWaalsContact CG-CD2 3.47Å; K196-Y260 HydrophobicContact CG-CE1 4.4Å; K196-Y260 HydrophobicContact CG-CE2 3.85Å; K196-Y260 HydrophobicContact CG-CG 3.59Å |
| 197 | Y | 97.1 | Very high | 96.1 | Very high | 58 Ų | 58 | 45.7 Ų | 45.7 | 23% | 0.227 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -71.1 | -46.9 | 172.9 | -173.1 | -87.4 | 0 | 0 | 0 | 111.5 | D194 V195 M199 K200 Y255 R258 | D194-Y197 WeakPolarHBondContact O-CA 3.31Å; D194-Y197 VanDerWaalsContact O-CB 3.3Å; D194-Y197 WeakPolarHBondContact O-CB 3.48Å; D194-Y197 PolarHBondContact O-N 3.16Å; D194-Y197 PolarHBondContact OD1-N 2.92Å; V195-Y197 VanDerWaalsContact C-N 3.27Å; V195-Y197 PolarHBondContact O-N 3.47Å; Y197-M199 VanDerWaalsContact C-N 3.26Å; Y197-M199 PolarHBondContact O-N 3.48Å; Y197-K200 HydrophobicContact CD2-CD 4.39Å; Y197-K200 VanDerWaalsContact O-CB 3.3Å; Y197-K200 WeakPolarHBondContact O-CB 3.29Å; Y197-K200 WeakPolarHBondContact O-CG 3.02Å; Y197-K200 PolarHBondContact O-N 2.86Å; Y197-Y255 HydrophobicContact CD1-CD1 4.12Å; Y197-Y255 HydrophobicContact CE1-CD1 4.09Å; Y197-R258 HydrophobicContact CD1-CB 3.68Å; Y197-R258 HydrophobicContact CD1-CG 4.43Å; Y197-R258 HydrophobicContact CD2-CB 3.98Å; Y197-R258 HydrophobicContact CE1-CB 3.57Å; Y197-R258 HydrophobicContact CE1-CG 3.87Å; Y197-R258 HydrophobicContact CE2-CB 3.88Å; Y197-R258 HydrophobicContact CE2-CG 4.49Å; Y197-R258 HydrophobicContact CG-CB 3.9Å |
| 198 | L | 97 | Very high | 96.1 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -56.1 | -41.3 | 177.4 | -84.3 | 77.2 | 0 | 0 | 0 | 111.6 | D194 V195 K200 S201 F238 M241 F246 I250 Y255 | D194-L198 WeakPolarHBondContact O-CD1 3.37Å; D194-L198 PolarHBondContact O-N 3.35Å; V195-L198 PolarHBondContact O-N 2.94Å; L198-K200 PolarHBondContact O-N 3.48Å; L198-S201 WeakPolarHBondContact O-CB 3.45Å; L198-S201 PolarHBondContact O-N 2.99Å; L198-F238 HydrophobicContact CD2-CD2 4.37Å; L198-F238 HydrophobicContact CD2-CE2 4.02Å; L198-M241 HydrophobicContact CB-CE 3.5Å; L198-M241 VanDerWaalsContact CB-CE 3.5Å; L198-M241 HydrophobicContact CB-SD 4.2Å; L198-M241 HydrophobicContact CD2-CE 3.64Å; L198-M241 HydrophobicContact CG-CE 4.2Å; L198-F246 HydrophobicContact CB-CE2 4.47Å; L198-F246 HydrophobicContact CB-CZ 4.16Å; L198-F246 HydrophobicContact CD2-CE2 4.41Å; L198-F246 HydrophobicContact CD2-CZ 4.38Å; L198-F246 HydrophobicContact CG-CZ 4.45Å; L198-I250 HydrophobicContact CD2-CD1 3.75Å; L198-I250 HydrophobicContact CD2-CG1 4.39Å; L198-I250 HydrophobicContact CD2-CG2 4.4Å; L198-Y255 HydrophobicContact CD1-CD1 4.39Å; L198-Y255 HydrophobicContact CG-CD1 4Å; L198-Y255 HydrophobicContact CG-CG 4.23Å |
| 199 | M | 96.8 | Very high | 96 | Very high | 10 Ų | 10 | 41.2 Ų | 41.2 | 5% | 0.049 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -54.1 | -22.4 | 177.1 | -74.6 | 165.2 | 58.4 | 0 | 0 | 114.2 | F156 V195 K196 Y197 S201 C202 L205 V212 M241 | F156-M199 HydrophobicContact CE2-SD 3.67Å; F156-M199 HydrophobicContact CZ-SD 4.21Å; V195-M199 HydrophobicContact CG1-CG 4.45Å; V195-M199 HydrophobicContact CG1-SD 4.27Å; V195-M199 WeakPolarHBondContact O-CG 3.28Å; V195-M199 PolarHBondContact O-N 3.04Å; K196-M199 HydrophobicContact CD-CE 4.26Å; K196-M199 HydrophobicContact CD-SD 4.16Å; Y197-M199 VanDerWaalsContact C-N 3.26Å; Y197-M199 PolarHBondContact O-N 3.48Å; M199-S201 PolarHBondContact O-N 2.87Å; M199-S201 VanDerWaalsContact O-N 3.14Å; M199-C202 WeakPolarHBondContact O-CA 3.4Å; M199-C202 PolarHBondContact O-N 2.95Å; M199-L205 HydrophobicContact CE-CB 4.17Å; M199-L205 HydrophobicContact CG-CB 4.13Å; M199-L205 HydrophobicContact CG-CD1 4.29Å; M199-V212 HydrophobicContact CE-CG2 3.25Å; M199-V212 HydrophobicContact SD-CG1 4.15Å; M199-V212 HydrophobicContact SD-CG2 3.64Å; M199-M241 HydrophobicContact CG-SD 3.93Å |
| 200 | K | 94.4 | Very high | 96 | Very high | 129 Ų | 129 | 43.3 Ų | 43.3 | 56% | 0.561 | 23% | 0.229 | S | C | * | . | G | 310 helix | trans | -59.7 | -24.1 | 173.6 | -67.6 | 179.5 | 174.7 | 177 | 0 | 112.8 | Y197 L198 | Y197-K200 HydrophobicContact CD2-CD 4.39Å; Y197-K200 VanDerWaalsContact O-CB 3.3Å; Y197-K200 WeakPolarHBondContact O-CB 3.29Å; Y197-K200 WeakPolarHBondContact O-CG 3.02Å; Y197-K200 PolarHBondContact O-N 2.86Å; L198-K200 PolarHBondContact O-N 3.48Å |
| 201 | S | 93.9 | Very high | 96 | Very high | 56 Ų | 56 | 46.3 Ų | 46.3 | 39% | 0.392 | 24% | 0.238 | S | C | . | . | G | 310 helix | trans | -90.3 | -6.9 | 174.8 | -56.2 | 0 | 0 | 0 | 0 | 113.2 | L198 M199 Y255 | L198-S201 WeakPolarHBondContact O-CB 3.45Å; L198-S201 PolarHBondContact O-N 2.99Å; M199-S201 PolarHBondContact O-N 2.87Å; M199-S201 VanDerWaalsContact O-N 3.14Å; S201-Y255 WeakPolarHBondContact CB-OH 2.86Å; S201-Y255 PolarHBondContact OG-OH 3.06Å |
| 202 | C | 93.6 | Very high | 96 | Very high | 4 Ų | 4 | 45.8 Ų | 45.8 | 3% | 0.027 | 23% | 0.234 | C | C | . | . | trans | -106.3 | 94.6 | -178 | -54 | 0 | 0 | 0 | 0 | 109.9 | M199 S204 L205 F245 F246 | M199-C202 WeakPolarHBondContact O-CA 3.4Å; M199-C202 PolarHBondContact O-N 2.95Å; C202-S204 PolarHBondContact O-N 3.16Å; C202-L205 HydrophobicContact CB-CB 4.08Å; C202-L205 HydrophobicContact CB-CD1 3.89Å; C202-L205 HydrophobicContact CB-CG 4.07Å; C202-L205 PolarHBondContact O-N 3.39Å; C202-F245 HydrophobicContact CB-CD1 4.05Å; C202-F245 HydrophobicContact CB-CE1 4.35Å; C202-F245 HydrophobicContact CB-CG 4.19Å; C202-F246 VanDerWaalsContact SG-CE2 3.57Å | ||
| 203 | K | 87.6 | Confident | 95.9 | Very high | 204 Ų | 204 | 45.8 Ų | 45.8 | 89% | 0.887 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -29 | -170.6 | -67.5 | -178.2 | -178.7 | 174.9 | 0 | 115 | ||
| 204 | S | 90.7 | Very high | 95.9 | Very high | 76 Ų | 76 | 50.2 Ų | 50.2 | 53% | 0.531 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -21 | -178.1 | 48.9 | 0 | 0 | 0 | 0 | 114.2 | C202 Q215 F245 | C202-S204 PolarHBondContact O-N 3.16Å; S204-Q215 PolarHBondContact O-OE1 2.82Å; S204-Q215 VanDerWaalsContact O-OE1 3.12Å; S204-F245 WeakPolarHBondContact OG-CE1 3.33Å; S204-F245 WeakPolarHBondContact OG-CZ 3.47Å |
| 205 | L | 93.2 | Very high | 95.8 | Very high | 11 Ų | 11 | 54.5 Ų | 54.5 | 6% | 0.058 | 28% | 0.278 | C | S | . | . | trans | -92.3 | 121.9 | -173 | -64.3 | -179.8 | 0 | 0 | 0 | 111.8 | M199 C202 Q215 L216 M241 F245 | M199-L205 HydrophobicContact CE-CB 4.17Å; M199-L205 HydrophobicContact CG-CB 4.13Å; M199-L205 HydrophobicContact CG-CD1 4.29Å; C202-L205 HydrophobicContact CB-CB 4.08Å; C202-L205 HydrophobicContact CB-CD1 3.89Å; C202-L205 HydrophobicContact CB-CG 4.07Å; C202-L205 PolarHBondContact O-N 3.39Å; L205-Q215 HydrophobicContact CD2-CB 3.93Å; L205-L216 HydrophobicContact CD1-CD2 4.15Å; L205-L216 HydrophobicContact CD2-CD2 3.96Å; L205-L216 HydrophobicContact CD2-CG 4.17Å; L205-M241 HydrophobicContact CD1-CG 4.02Å; L205-M241 HydrophobicContact CD1-SD 4.03Å; L205-F245 HydrophobicContact CD1-CD2 4.14Å; L205-F245 HydrophobicContact CD1-CE2 3.7Å; L205-F245 HydrophobicContact CD1-CZ 4.15Å; L205-F245 HydrophobicContact CD2-CE2 4.48Å; L205-F245 HydrophobicContact CD2-CZ 4.44Å; L205-F245 HydrophobicContact CG-CE2 4.11Å; L205-F245 HydrophobicContact CG-CZ 4.05Å | ||
| 206 | K | 94.7 | Very high | 95.7 | Very high | 151 Ų | 151 | 54.8 Ų | 54.8 | 66% | 0.657 | 28% | 0.279 | S | S | * | . | trans | -144.5 | 163.2 | 177.2 | -61.4 | -177.2 | -175.6 | 176.3 | 0 | 110.6 | Q215 | K206-Q215 PolarHBondContact O-NE2 3.36Š| ||
| 207 | G | 96.4 | Very high | 95.7 | Very high | 22 Ų | 22 | 61.5 Ų | 61.5 | 23% | 0.227 | 31% | 0.311 | C | S | . | . | S | Bend | trans | 97.9 | -177.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | K196 E211 | K196-G207 PolarHBondContact NZ-O 3Å; G207-E211 VanDerWaalsContact C-OE2 3.27Å; G207-E211 WeakPolarHBondContact CA-OE2 3.44Å |
| 208 | G | 97.2 | Very high | 95.7 | Very high | 31 Ų | 31 | 60.4 Ų | 60.4 | 32% | 0.32 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -70.8 | 174.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113 | Q210 E211 V212 | G208-Q210 VanDerWaalsContact C-N 3.29Å; G208-Q210 PolarHBondContact O-N 3.38Å; G208-E211 PolarHBondContact N-OE2 3.28Å; G208-E211 PolarHBondContact O-N 3.19Å; G208-E211 VanDerWaalsContact O-N 3.12Å; G208-V212 WeakPolarHBondContact O-CG2 3.46Å; G208-V212 PolarHBondContact O-N 3.05Å |
| 209 | L | 97.7 | Very high | 95.7 | Very high | 16 Ų | 16 | 69 Ų | 69 | 8% | 0.084 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -54.7 | -44.2 | -175.1 | 177.8 | 61.8 | 0 | 0 | 0 | 112.4 | F156 V212 A213 D230 L233 T234 | F156-L209 HydrophobicContact CB-CD1 4.36Å; F156-L209 HydrophobicContact CD1-CB 3.97Å; F156-L209 HydrophobicContact CD2-CB 4.4Å; F156-L209 HydrophobicContact CD2-CD1 3.78Å; F156-L209 HydrophobicContact CE1-CB 3.96Å; F156-L209 HydrophobicContact CE2-CB 4.4Å; F156-L209 HydrophobicContact CE2-CD1 4.21Å; F156-L209 HydrophobicContact CG-CB 4.21Å; F156-L209 HydrophobicContact CG-CD1 4.03Å; F156-L209 HydrophobicContact CZ-CB 4.18Å; F156-L209 VanDerWaalsContact CZ-N 3.35Å; L209-V212 PolarHBondContact O-N 3.22Å; L209-A213 WeakPolarHBondContact O-CB 3.32Å; L209-A213 PolarHBondContact O-N 2.56Å; L209-D230 HydrophobicContact CD2-CB 4.12Å; L209-L233 HydrophobicContact CD1-CG 4.47Å; L209-L233 HydrophobicContact CD2-CB 4.43Å; L209-L233 HydrophobicContact CD2-CD2 4.48Å; L209-L233 HydrophobicContact CG-CD2 4.13Å; L209-L233 HydrophobicContact CG-CG 4.4Å; L209-T234 WeakPolarHBondContact CD2-OG1 3.09Å |
| 210 | Q | 97.4 | Very high | 95.7 | Very high | 45 Ų | 45 | 70.3 Ų | 70.3 | 21% | 0.21 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -64 | -44.8 | 178.1 | -172.4 | 58.5 | 55.3 | 0 | 0 | 112.4 | G208 V212 A213 D214 R220 | G208-Q210 VanDerWaalsContact C-N 3.29Å; G208-Q210 PolarHBondContact O-N 3.38Å; Q210-V212 VanDerWaalsContact C-N 3.27Å; Q210-V212 PolarHBondContact O-N 3.25Å; Q210-A213 WeakPolarHBondContact O-CB 3.32Å; Q210-A213 PolarHBondContact O-N 3.45Å; Q210-D214 PolarHBondContact NE2-OD1 2.8Å; Q210-D214 PolarHBondContact O-N 2.92Å; Q210-R220 VanDerWaalsContact OE1-NH2 3.11Å |
| 211 | E | 97.6 | Very high | 95.8 | Very high | 111 Ų | 111 | 66.9 Ų | 66.9 | 52% | 0.519 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.9 | -35.4 | 179.4 | -62.7 | 174.3 | 142.7 | 0 | 0 | 111.6 | G207 G208 Q215 | G207-E211 VanDerWaalsContact C-OE2 3.27Å; G207-E211 WeakPolarHBondContact CA-OE2 3.44Å; G208-E211 PolarHBondContact N-OE2 3.28Å; G208-E211 PolarHBondContact O-N 3.19Å; G208-E211 VanDerWaalsContact O-N 3.12Å; E211-Q215 VanDerWaalsContact O-CG 3.31Å; E211-Q215 WeakPolarHBondContact O-CG 3.32Å; E211-Q215 PolarHBondContact O-N 3Å; E211-Q215 VanDerWaalsContact O-N 3.13Å; E211-Q215 PolarHBondContact O-NE2 2.78Å |
| 212 | V | 97.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -70 | -42.3 | 175.5 | 173.5 | 0 | 0 | 0 | 0 | 110.9 | F156 M199 G208 L209 Q210 D214 Q215 L216 | F156-V212 HydrophobicContact CE2-CB 4.48Å; F156-V212 HydrophobicContact CE2-CG2 4.17Å; F156-V212 HydrophobicContact CZ-CG2 4.25Å; M199-V212 HydrophobicContact CE-CG2 3.25Å; M199-V212 HydrophobicContact SD-CG1 4.15Å; M199-V212 HydrophobicContact SD-CG2 3.64Å; G208-V212 WeakPolarHBondContact O-CG2 3.46Å; G208-V212 PolarHBondContact O-N 3.05Å; L209-V212 PolarHBondContact O-N 3.22Å; Q210-V212 VanDerWaalsContact C-N 3.27Å; Q210-V212 PolarHBondContact O-N 3.25Å; V212-D214 VanDerWaalsContact C-N 3.31Å; V212-D214 PolarHBondContact O-N 3.34Å; V212-Q215 PolarHBondContact O-N 3.24Å; V212-L216 HydrophobicContact CG1-CD1 3.83Å; V212-L216 HydrophobicContact CG1-CG 4.38Å; V212-L216 WeakPolarHBondContact O-CB 3.3Å; V212-L216 WeakPolarHBondContact O-CG 3.34Å; V212-L216 PolarHBondContact O-N 3.09Å |
| 213 | A | 97.5 | Very high | 96 | Very high | 0 Ų | 0 | 73.4 Ų | 73.4 | 0% | 0 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -59.1 | -43.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L209 Q210 Q215 L216 E217 L218 L233 | L209-A213 WeakPolarHBondContact O-CB 3.32Å; L209-A213 PolarHBondContact O-N 2.56Å; Q210-A213 WeakPolarHBondContact O-CB 3.32Å; Q210-A213 PolarHBondContact O-N 3.45Å; A213-Q215 PolarHBondContact O-N 3.4Å; A213-L216 CarbonylContact O-C 3.48Å; A213-L216 PolarHBondContact O-N 2.91Å; A213-E217 PolarHBondContact O-N 2.88Å; A213-L218 HydrophobicContact CB-CB 4.13Å; A213-L218 PolarHBondContact O-N 3.16Å; A213-L233 HydrophobicContact CB-CD1 3.7Å; A213-L233 HydrophobicContact CB-CD2 3.69Å; A213-L233 HydrophobicContact CB-CG 3.87Å |
| 214 | D | 97.6 | Very high | 96.3 | Very high | 98 Ų | 98 | 67.7 Ų | 67.7 | 52% | 0.524 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.7 | -41.8 | 177.2 | -62.2 | -19.5 | 0 | 0 | 0 | 111.4 | Q210 V212 L216 E217 | Q210-D214 PolarHBondContact NE2-OD1 2.8Å; Q210-D214 PolarHBondContact O-N 2.92Å; V212-D214 VanDerWaalsContact C-N 3.31Å; V212-D214 PolarHBondContact O-N 3.34Å; D214-L216 VanDerWaalsContact C-N 3.29Å; D214-L216 PolarHBondContact O-N 3.35Å; D214-E217 PolarHBondContact O-N 3.16Å; D214-E217 VanDerWaalsContact O-N 3.15Å |
| 215 | Q | 97.3 | Very high | 96.5 | Very high | 89 Ų | 89 | 67.2 Ų | 67.2 | 42% | 0.416 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -66.1 | -28.3 | 175.6 | -75.1 | 163.4 | 63.2 | 0 | 0 | 113.6 | S204 L205 K206 E211 V212 A213 E217 | S204-Q215 PolarHBondContact O-OE1 2.82Å; S204-Q215 VanDerWaalsContact O-OE1 3.12Å; L205-Q215 HydrophobicContact CD2-CB 3.93Å; K206-Q215 PolarHBondContact O-NE2 3.36Å; E211-Q215 VanDerWaalsContact O-CG 3.31Å; E211-Q215 WeakPolarHBondContact O-CG 3.32Å; E211-Q215 PolarHBondContact O-N 3Å; E211-Q215 VanDerWaalsContact O-N 3.13Å; E211-Q215 PolarHBondContact O-NE2 2.78Å; V212-Q215 PolarHBondContact O-N 3.24Å; A213-Q215 PolarHBondContact O-N 3.4Å; Q215-E217 VanDerWaalsContact C-N 3.32Å |
| 216 | L | 96.6 | Very high | 96.8 | Very high | 6 Ų | 6 | 67.5 Ų | 67.5 | 3% | 0.031 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | 3.8 | 176.3 | -67.1 | 175.9 | 0 | 0 | 0 | 112.8 | L205 V212 A213 D214 L218 A237 R240 M241 L244 F245 | L205-L216 HydrophobicContact CD1-CD2 4.15Å; L205-L216 HydrophobicContact CD2-CD2 3.96Å; L205-L216 HydrophobicContact CD2-CG 4.17Å; V212-L216 HydrophobicContact CG1-CD1 3.83Å; V212-L216 HydrophobicContact CG1-CG 4.38Å; V212-L216 WeakPolarHBondContact O-CB 3.3Å; V212-L216 WeakPolarHBondContact O-CG 3.34Å; V212-L216 PolarHBondContact O-N 3.09Å; A213-L216 CarbonylContact O-C 3.48Å; A213-L216 PolarHBondContact O-N 2.91Å; D214-L216 VanDerWaalsContact C-N 3.29Å; D214-L216 PolarHBondContact O-N 3.35Å; L216-L218 VanDerWaalsContact C-N 3.26Å; L216-L218 HydrophobicContact CB-CD1 3.8Å; L216-L218 HydrophobicContact CB-CG 3.78Å; L216-L218 HydrophobicContact CD1-CD1 4.08Å; L216-L218 PolarHBondContact O-N 3.36Å; L216-A237 HydrophobicContact CD1-CB 4.13Å; L216-R240 HydrophobicContact CB-CG 4.07Å; L216-R240 HydrophobicContact CD2-CG 4.25Å; L216-M241 HydrophobicContact CD1-CB 4.41Å; L216-L244 HydrophobicContact CD2-CD1 4.03Å; L216-F245 HydrophobicContact CD2-CE2 4.01Å |
| 217 | E | 97.6 | Very high | 97 | Very high | 175 Ų | 175 | 60.3 Ų | 60.3 | 82% | 0.818 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.8 | 36.2 | -177.8 | -56.2 | 179.9 | 171.7 | 0 | 0 | 113.1 | A213 D214 Q215 | A213-E217 PolarHBondContact O-N 2.88Å; D214-E217 PolarHBondContact O-N 3.16Å; D214-E217 VanDerWaalsContact O-N 3.15Å; Q215-E217 VanDerWaalsContact C-N 3.32Å |
| 218 | L | 97.4 | Very high | 97.1 | Very high | 34 Ų | 34 | 59.3 Ų | 59.3 | 18% | 0.178 | 29% | 0.293 | C | S | . | . | P | Polyproline II helix | trans | -92.6 | 135.7 | -178.7 | -61.5 | 174.8 | 0 | 0 | 0 | 111.4 | A213 L216 L233 M236 A237 R240 | A213-L218 HydrophobicContact CB-CB 4.13Å; A213-L218 PolarHBondContact O-N 3.16Å; L216-L218 VanDerWaalsContact C-N 3.26Å; L216-L218 HydrophobicContact CB-CD1 3.8Å; L216-L218 HydrophobicContact CB-CG 3.78Å; L216-L218 HydrophobicContact CD1-CD1 4.08Å; L216-L218 PolarHBondContact O-N 3.36Å; L218-L233 HydrophobicContact CB-CD1 4.23Å; L218-M236 HydrophobicContact CD1-CB 3.95Å; L218-M236 HydrophobicContact CD2-CB 4.29Å; L218-A237 HydrophobicContact CD1-CB 4.08Å; L218-R240 HydrophobicContact CD1-CB 4.31Å; L218-R240 HydrophobicContact CD2-CB 4.11Å; L218-R240 HydrophobicContact CD2-CG 4.12Å |
| 219 | K | 97 | Very high | 97.1 | Very high | 180 Ų | 180 | 57.9 Ų | 57.9 | 78% | 0.783 | 28% | 0.279 | S | S | * | . | P | Polyproline II helix | trans | -98.1 | 116.9 | 176.2 | -174 | -179.4 | 177.8 | -176.4 | 0 | 110.4 | ||
| 220 | R | 97.4 | Very high | 97.2 | Very high | 39 Ų | 39 | 57.7 Ų | 57.7 | 15% | 0.147 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -59.1 | 140.7 | 173.2 | 179.6 | 178.2 | -70.8 | -87.7 | 14.4 | 112 | Q210 S229 D230 L233 | Q210-R220 VanDerWaalsContact OE1-NH2 3.11Å; R220-S229 PolarHBondContact NH1-OG 3.36Å; R220-D230 IonicContact CZ-OD1 3.52Å; R220-D230 IonicContact NH1-OD1 3.45Å; R220-D230 PolarHBondContact NH1-OD1 2.97Å; R220-D230 IonicContact NH2-OD1 3.69Å; R220-D230 IonicContact NH2-OD2 3.29Å; R220-L233 HydrophobicContact CB-CD1 4.49Å; R220-L233 HydrophobicContact CB-CD2 4.44Å; R220-L233 VanDerWaalsContact NH2-CD2 3.27Å |
| 221 | I | 96.2 | Very high | 97.2 | Very high | 56 Ų | 56 | 55.5 Ų | 55.5 | 29% | 0.287 | 27% | 0.267 | S | S | . | . | trans | -119.1 | 127.4 | 169.7 | -58.5 | 177.1 | 0 | 0 | 0 | 107.5 | I11 S229 L232 M236 | I11-I221 HydrophobicContact CD1-CD1 4.26Å; I11-I221 HydrophobicContact CD1-CG2 4.11Å; I11-I221 HydrophobicContact CG2-CG2 4.38Å; I221-S229 WeakPolarHBondContact O-CB 3.28Å; I221-S229 PolarHBondContact O-OG 3.41Å; I221-L232 HydrophobicContact CB-CD2 3.87Å; I221-L232 HydrophobicContact CD1-CD2 4.49Å; I221-L232 HydrophobicContact CG2-CD2 4.26Å; I221-M236 HydrophobicContact CD1-CE 3.9Å; I221-M236 HydrophobicContact CG1-CE 4.35Å | ||
| 222 | G | 95.5 | Very high | 97.3 | Very high | 48 Ų | 48 | 50.4 Ų | 50.4 | 50% | 0.495 | 24% | 0.243 | S | C | . | . | S | Bend | trans | 93.3 | -175.1 | -173.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 223 | R | 95.1 | Very high | 97.4 | Very high | 149 Ų | 149 | 50.4 Ų | 50.4 | 56% | 0.562 | 24% | 0.244 | S | C | * | . | trans | -86.1 | 136 | -176.9 | -68.2 | -178.2 | 177.3 | -180 | -0.1 | 110.4 | Q226 S229 | R223-Q226 HydrophobicContact CB-CG 4.01Å; R223-S229 WeakPolarHBondContact O-CB 3.49Å; R223-S229 PolarHBondContact O-OG 2.86Å | ||
| 224 | Q | 95.2 | Very high | 97.4 | Very high | 84 Ų | 84 | 50.4 Ų | 50.4 | 39% | 0.393 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | 147.3 | 172.8 | -176.2 | 179.7 | -1.7 | 0 | 0 | 110.1 | Q226 | Q224-Q226 VanDerWaalsContact C-N 3.28Å; Q224-Q226 PolarHBondContact O-N 3.43Å |
| 225 | H | 95.4 | Very high | 97.5 | Very high | 66 Ų | 66 | 45.8 Ų | 45.8 | 31% | 0.306 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.9 | 40.1 | -177.4 | -57.4 | -61.8 | 0 | 0 | 0 | 112.1 | E42 L115 S119 D230 | E42-H225 VanDerWaalsContact OE1-CA 3.29Å; E42-H225 WeakPolarHBondContact OE1-CA 3.41Å; L115-H225 HydrophobicContact CD2-CB 4.07Å; S119-H225 WeakPolarHBondContact OG-CB 3.29Å; H225-D230 PolarHBondContact N-OD1 2.96Å; H225-D230 VanDerWaalsContact N-OD1 3.1Å |
| 226 | Q | 98.3 | Very high | 97.5 | Very high | 18 Ų | 18 | 43 Ų | 43 | 8% | 0.084 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -133.1 | 132.7 | 161.1 | -61.1 | -159.8 | 1.4 | 0 | 0 | 108.1 | E42 S119 L121 R223 Q224 G228 S229 D230 | E42-Q226 PolarHBondContact OE1-N 3.5Å; S119-Q226 PolarHBondContact O-NE2 2.93Å; L121-Q226 HydrophobicContact CD1-CG 3.77Å; R223-Q226 HydrophobicContact CB-CG 4.01Å; Q224-Q226 VanDerWaalsContact C-N 3.28Å; Q224-Q226 PolarHBondContact O-N 3.43Å; Q226-G228 PolarHBondContact O-N 3.3Å; Q226-G228 VanDerWaalsContact O-N 3.07Å; Q226-S229 PolarHBondContact O-N 2.98Å; Q226-S229 VanDerWaalsContact O-N 3.11Å; Q226-D230 PolarHBondContact O-N 2.95Å |
| 227 | A | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -55.8 | -37.1 | -167.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | E42 Q76 G78 S231 | E42-A227 HydrophobicContact CG-CB 4.1Å; Q76-A227 HydrophobicContact CB-CB 3.7Å; G78-A227 WeakPolarHBondContact CA-O 3.37Å; A227-S231 WeakPolarHBondContact O-CB 3.2Å; A227-S231 PolarHBondContact O-N 3.41Å; A227-S231 PolarHBondContact O-OG 3.25Å |
| 228 | G | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60.4 | -56 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | T94 Q226 D230 S231 L232 | T94-G228 VanDerWaalsContact CG2-O 3.27Å; T94-G228 WeakPolarHBondContact CG2-O 3.28Å; Q226-G228 PolarHBondContact O-N 3.3Å; Q226-G228 VanDerWaalsContact O-N 3.07Å; G228-D230 VanDerWaalsContact C-N 3.34Å; G228-D230 PolarHBondContact O-N 2.99Å; G228-S231 PolarHBondContact O-N 2.91Å; G228-S231 PolarHBondContact O-OG 3.45Å; G228-L232 PolarHBondContact O-N 3.23Å |
| 229 | S | 98.5 | Very high | 97.7 | Very high | 2 Ų | 2 | 34.2 Ų | 34.2 | 1% | 0.014 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.7 | -39.7 | 178.6 | 164.4 | 0 | 0 | 0 | 0 | 112.6 | R220 I221 R223 Q226 L232 L233 | R220-S229 PolarHBondContact NH1-OG 3.36Å; I221-S229 WeakPolarHBondContact O-CB 3.28Å; I221-S229 PolarHBondContact O-OG 3.41Å; R223-S229 WeakPolarHBondContact O-CB 3.49Å; R223-S229 PolarHBondContact O-OG 2.86Å; Q226-S229 PolarHBondContact O-N 2.98Å; Q226-S229 VanDerWaalsContact O-N 3.11Å; S229-L232 PolarHBondContact O-N 2.99Å; S229-L233 PolarHBondContact O-N 3.12Å |
| 230 | D | 98.7 | Very high | 97.8 | Very high | 11 Ų | 11 | 29.4 Ų | 29.4 | 6% | 0.059 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -71.6 | -38.8 | 179.7 | -76.2 | 40.7 | 0 | 0 | 0 | 111.2 | D40 L209 R220 H225 Q226 G228 L232 L233 T234 | D40-D230 HydrophobicContact CB-CB 4.04Å; D40-D230 WeakPolarHBondContact OD2-CB 3.47Å; L209-D230 HydrophobicContact CD2-CB 4.12Å; R220-D230 IonicContact CZ-OD1 3.52Å; R220-D230 IonicContact NH1-OD1 3.45Å; R220-D230 PolarHBondContact NH1-OD1 2.97Å; R220-D230 IonicContact NH2-OD1 3.69Å; R220-D230 IonicContact NH2-OD2 3.29Å; H225-D230 PolarHBondContact N-OD1 2.96Å; H225-D230 VanDerWaalsContact N-OD1 3.1Å; Q226-D230 PolarHBondContact O-N 2.95Å; G228-D230 VanDerWaalsContact C-N 3.34Å; G228-D230 PolarHBondContact O-N 2.99Å; D230-L232 VanDerWaalsContact C-N 3.33Å; D230-L232 PolarHBondContact O-N 3.36Å; D230-L233 PolarHBondContact O-N 3.15Å; D230-T234 WeakPolarHBondContact O-CB 3.49Å; D230-T234 PolarHBondContact O-N 3.26Å; D230-T234 PolarHBondContact O-OG1 2.89Å; D230-T234 VanDerWaalsContact O-OG1 3.04Å |
| 231 | S | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -61.8 | -39.6 | 172 | 76.8 | 0 | 0 | 0 | 0 | 112.3 | A38 G78 T80 A227 G228 T234 G235 | A38-S231 WeakPolarHBondContact CB-O 3Å; G78-S231 WeakPolarHBondContact O-CB 3.49Å; T80-S231 PolarHBondContact OG1-OG 3.18Å; A227-S231 WeakPolarHBondContact O-CB 3.2Å; A227-S231 PolarHBondContact O-N 3.41Å; A227-S231 PolarHBondContact O-OG 3.25Å; G228-S231 PolarHBondContact O-N 2.91Å; G228-S231 PolarHBondContact O-OG 3.45Å; S231-T234 WeakPolarHBondContact O-CB 3.48Å; S231-T234 PolarHBondContact O-N 3.17Å; S231-G235 PolarHBondContact O-N 3.18Å |
| 232 | L | 98.8 | Very high | 97.8 | Very high | 3 Ų | 3 | 26 Ų | 26 | 2% | 0.016 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -65.9 | -44.7 | 177.5 | 177.5 | 57.7 | 0 | 0 | 0 | 110.9 | I11 T80 Y88 I221 G228 S229 D230 T234 G235 M236 | I11-L232 HydrophobicContact CG2-CD2 4Å; T80-L232 HydrophobicContact CG2-CB 4.41Å; T80-L232 HydrophobicContact CG2-CD1 3.6Å; T80-L232 VanDerWaalsContact OG1-CA 3.28Å; T80-L232 WeakPolarHBondContact OG1-CA 3.37Å; T80-L232 PolarHBondContact OG1-N 2.81Å; Y88-L232 HydrophobicContact CE1-CD1 3.66Å; I221-L232 HydrophobicContact CB-CD2 3.87Å; I221-L232 HydrophobicContact CD1-CD2 4.49Å; I221-L232 HydrophobicContact CG2-CD2 4.26Å; G228-L232 PolarHBondContact O-N 3.23Å; S229-L232 PolarHBondContact O-N 2.99Å; D230-L232 VanDerWaalsContact C-N 3.33Å; D230-L232 PolarHBondContact O-N 3.36Å; L232-T234 VanDerWaalsContact C-N 3.32Å; L232-T234 PolarHBondContact O-N 3.12Å; L232-G235 PolarHBondContact O-N 3.05Å; L232-M236 HydrophobicContact CD1-CE 3.85Å; L232-M236 HydrophobicContact CD2-CE 4.16Å; L232-M236 HydrophobicContact CG-CE 3.78Å; L232-M236 WeakPolarHBondContact O-CG 3.2Å; L232-M236 PolarHBondContact O-N 2.92Å |
| 233 | L | 98.7 | Very high | 97.9 | Very high | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.005 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -65.6 | -35.8 | 177 | -167.6 | 61.9 | 0 | 0 | 0 | 112.1 | L209 A213 L218 R220 S229 D230 M236 A237 | L209-L233 HydrophobicContact CD1-CG 4.47Å; L209-L233 HydrophobicContact CD2-CB 4.43Å; L209-L233 HydrophobicContact CD2-CD2 4.48Å; L209-L233 HydrophobicContact CG-CD2 4.13Å; L209-L233 HydrophobicContact CG-CG 4.4Å; A213-L233 HydrophobicContact CB-CD1 3.7Å; A213-L233 HydrophobicContact CB-CD2 3.69Å; A213-L233 HydrophobicContact CB-CG 3.87Å; L218-L233 HydrophobicContact CB-CD1 4.23Å; R220-L233 HydrophobicContact CB-CD1 4.49Å; R220-L233 HydrophobicContact CB-CD2 4.44Å; R220-L233 VanDerWaalsContact NH2-CD2 3.27Å; S229-L233 PolarHBondContact O-N 3.12Å; D230-L233 PolarHBondContact O-N 3.15Å; L233-M236 HydrophobicContact CD1-SD 4.29Å; L233-M236 PolarHBondContact O-N 3.13Å; L233-A237 VanDerWaalsContact O-CB 3.3Å; L233-A237 WeakPolarHBondContact O-CB 3.49Å; L233-A237 PolarHBondContact O-N 2.84Å |
| 234 | T | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -60.3 | -44.7 | 172.3 | -70.6 | 0 | 0 | 0 | 0 | 111.5 | A38 F156 V195 L209 D230 S231 L232 A237 F238 | A38-T234 HydrophobicContact CB-CG2 4.41Å; F156-T234 HydrophobicContact CB-CG2 4.25Å; V195-T234 HydrophobicContact CG2-CG2 4.45Å; L209-T234 WeakPolarHBondContact CD2-OG1 3.09Å; D230-T234 WeakPolarHBondContact O-CB 3.49Å; D230-T234 PolarHBondContact O-N 3.26Å; D230-T234 PolarHBondContact O-OG1 2.89Å; D230-T234 VanDerWaalsContact O-OG1 3.04Å; S231-T234 WeakPolarHBondContact O-CB 3.48Å; S231-T234 PolarHBondContact O-N 3.17Å; L232-T234 VanDerWaalsContact C-N 3.32Å; L232-T234 PolarHBondContact O-N 3.12Å; T234-A237 PolarHBondContact O-N 3.19Å; T234-F238 PolarHBondContact O-N 3.22Å |
| 235 | G | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -60.2 | -48.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | S231 L232 A237 F238 F239 | S231-G235 PolarHBondContact O-N 3.18Å; L232-G235 PolarHBondContact O-N 3.05Å; G235-A237 VanDerWaalsContact C-N 3.33Å; G235-A237 PolarHBondContact O-N 3.28Å; G235-F238 PolarHBondContact O-N 3.41Å; G235-F239 WeakPolarHBondContact O-CD2 3.37Å; G235-F239 PolarHBondContact O-N 2.79Å; G235-F239 VanDerWaalsContact O-N 3.15Å |
| 236 | M | 98.6 | Very high | 98 | Very high | 30 Ų | 30 | 23.1 Ų | 23.1 | 15% | 0.148 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -57.6 | -45.6 | 175.2 | -67.7 | 175.3 | 179.4 | 0 | 0 | 111.9 | Y88 L218 I221 L232 L233 R240 | Y88-M236 VanDerWaalsContact OH-CG 3.27Å; Y88-M236 WeakPolarHBondContact OH-CG 3.32Å; L218-M236 HydrophobicContact CD1-CB 3.95Å; L218-M236 HydrophobicContact CD2-CB 4.29Å; I221-M236 HydrophobicContact CD1-CE 3.9Å; I221-M236 HydrophobicContact CG1-CE 4.35Å; L232-M236 HydrophobicContact CD1-CE 3.85Å; L232-M236 HydrophobicContact CD2-CE 4.16Å; L232-M236 HydrophobicContact CG-CE 3.78Å; L232-M236 WeakPolarHBondContact O-CG 3.2Å; L232-M236 PolarHBondContact O-N 2.92Å; L233-M236 HydrophobicContact CD1-SD 4.29Å; L233-M236 PolarHBondContact O-N 3.13Å; M236-R240 VanDerWaalsContact O-CB 3.26Å; M236-R240 WeakPolarHBondContact O-CB 3.37Å; M236-R240 PolarHBondContact O-N 3.24Å |
| 237 | A | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62.8 | -42.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L216 L218 L233 T234 G235 M241 | L216-A237 HydrophobicContact CD1-CB 4.13Å; L218-A237 HydrophobicContact CD1-CB 4.08Å; L233-A237 VanDerWaalsContact O-CB 3.3Å; L233-A237 WeakPolarHBondContact O-CB 3.49Å; L233-A237 PolarHBondContact O-N 2.84Å; T234-A237 PolarHBondContact O-N 3.19Å; G235-A237 VanDerWaalsContact C-N 3.33Å; G235-A237 PolarHBondContact O-N 3.28Å; A237-M241 WeakPolarHBondContact O-CB 3.31Å; A237-M241 PolarHBondContact O-N 2.8Å |
| 238 | F | 98.8 | Very high | 97.6 | Very high | 3 Ų | 3 | 35.8 Ų | 35.8 | 1% | 0.013 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -59.4 | -55.3 | 177.4 | 175.7 | -95.8 | 0 | 0 | 0 | 111.9 | Y36 L154 Y193 V195 L198 T234 G235 R240 M241 K242 I250 | Y36-F238 HydrophobicContact CD1-CE1 4.26Å; Y36-F238 HydrophobicContact CE1-CE1 4.02Å; Y36-F238 HydrophobicContact CE1-CZ 4.45Å; L154-F238 HydrophobicContact CD1-CB 3.96Å; L154-F238 HydrophobicContact CD1-CD1 3.47Å; L154-F238 VanDerWaalsContact CD1-CD1 3.47Å; L154-F238 HydrophobicContact CD1-CE1 4.09Å; L154-F238 HydrophobicContact CD1-CG 3.74Å; L154-F238 HydrophobicContact CD2-CD1 3.72Å; L154-F238 HydrophobicContact CD2-CD2 3.72Å; L154-F238 HydrophobicContact CD2-CE1 3.68Å; L154-F238 HydrophobicContact CD2-CE2 3.68Å; L154-F238 HydrophobicContact CD2-CG 3.74Å; L154-F238 HydrophobicContact CD2-CZ 3.65Å; L154-F238 HydrophobicContact CG-CD1 4.2Å; L154-F238 HydrophobicContact CG-CG 4.21Å; Y193-F238 HydrophobicContact CG-CE2 4.16Å; V195-F238 HydrophobicContact CG2-CB 3.8Å; V195-F238 HydrophobicContact CG2-CD2 4.11Å; V195-F238 HydrophobicContact CG2-CG 4.47Å; L198-F238 HydrophobicContact CD2-CD2 4.37Å; L198-F238 HydrophobicContact CD2-CE2 4.02Å; T234-F238 PolarHBondContact O-N 3.22Å; G235-F238 PolarHBondContact O-N 3.41Å; F238-R240 PolarHBondContact O-N 3.42Å; F238-M241 PolarHBondContact O-N 3.25Å; F238-K242 HydrophobicContact CE1-CD 4.14Å; F238-K242 HydrophobicContact CZ-CD 4.47Å; F238-K242 VanDerWaalsContact O-CB 3.29Å; F238-K242 WeakPolarHBondContact O-CB 3.44Å; F238-K242 PolarHBondContact O-N 2.77Å; F238-I250 HydrophobicContact CE2-CG1 4.29Å; F238-I250 HydrophobicContact CZ-CG1 4.06Å |
| 239 | F | 98.5 | Very high | 97.4 | Very high | 28 Ų | 28 | 42.4 Ų | 42.4 | 12% | 0.123 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.9 | -40.3 | -176.3 | -81.4 | -75.6 | 0 | 0 | 0 | 112.2 | Y36 M82 N83 E84 G86 L154 G235 M241 K242 E243 | Y36-F239 HydrophobicContact CD1-CE2 4.3Å; Y36-F239 AromaticContact CD1-CZ 3.71Å; Y36-F239 HydrophobicContact CD1-CZ 3.71Å; Y36-F239 HydrophobicContact CE1-CZ 4.15Å; Y36-F239 AromaticContact CG-CZ 3.91Å; Y36-F239 HydrophobicContact CG-CZ 3.91Å; M82-F239 HydrophobicContact CB-CE2 3.87Å; M82-F239 HydrophobicContact CB-CZ 4.4Å; M82-F239 HydrophobicContact CE-CD2 4.44Å; M82-F239 HydrophobicContact CE-CE2 4.01Å; M82-F239 HydrophobicContact CG-CE2 4.27Å; M82-F239 HydrophobicContact SD-CD2 3.63Å; M82-F239 HydrophobicContact SD-CE2 3.52Å; M82-F239 VanDerWaalsContact SD-CE2 3.52Å; N83-F239 VanDerWaalsContact O-CZ 3.22Å; N83-F239 WeakPolarHBondContact O-CZ 3.33Å; E84-F239 WeakPolarHBondContact O-CE1 3.4Å; G86-F239 VanDerWaalsContact CA-CE1 3.45Å; G86-F239 VanDerWaalsContact CA-CZ 3.48Å; G86-F239 VanDerWaalsContact N-CE1 3.31Å; L154-F239 HydrophobicContact CD1-CE2 3.99Å; G235-F239 WeakPolarHBondContact O-CD2 3.37Å; G235-F239 PolarHBondContact O-N 2.79Å; G235-F239 VanDerWaalsContact O-N 3.15Å; F239-M241 VanDerWaalsContact C-N 3.34Å; F239-M241 PolarHBondContact O-N 3.28Å; F239-K242 HydrophobicContact CD1-CD 4.45Å; F239-K242 PolarHBondContact O-N 3.23Å; F239-E243 PolarHBondContact O-N 2.98Å |
| 240 | R | 97.9 | Very high | 97.3 | Very high | 80 Ų | 80 | 43 Ų | 43 | 30% | 0.302 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -65.2 | -38.9 | 176.1 | -173.6 | 56.6 | 172.5 | 160.9 | 2.5 | 112.3 | L216 L218 M236 F238 E243 L244 | L216-R240 HydrophobicContact CB-CG 4.07Å; L216-R240 HydrophobicContact CD2-CG 4.25Å; L218-R240 HydrophobicContact CD1-CB 4.31Å; L218-R240 HydrophobicContact CD2-CB 4.11Å; L218-R240 HydrophobicContact CD2-CG 4.12Å; M236-R240 VanDerWaalsContact O-CB 3.26Å; M236-R240 WeakPolarHBondContact O-CB 3.37Å; M236-R240 PolarHBondContact O-N 3.24Å; F238-R240 PolarHBondContact O-N 3.42Å; R240-E243 IonicContact CZ-OE2 2.72Å; R240-E243 IonicContact NH1-OE1 2.66Å; R240-E243 PolarHBondContact NH1-OE1 2.98Å; R240-E243 VanDerWaalsContact NH1-OE1 3.16Å; R240-E243 IonicContact NH1-OE2 3.16Å; R240-E243 PolarHBondContact NH1-OE2 2.81Å; R240-L244 HydrophobicContact CG-CD1 4.15Å; R240-L244 WeakPolarHBondContact O-CG 3.32Å; R240-L244 PolarHBondContact O-N 3.19Å; R240-L244 VanDerWaalsContact O-N 3.16Å |
| 241 | M | 97.4 | Very high | 97.2 | Very high | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -69 | -40.8 | 176.4 | -179 | -178.3 | 60.6 | 0 | 0 | 111.6 | V195 L198 M199 L205 L216 A237 F238 F239 E243 L244 F245 F246 | V195-M241 HydrophobicContact CB-CE 4.35Å; V195-M241 HydrophobicContact CG1-CE 3.85Å; V195-M241 HydrophobicContact CG1-SD 4.32Å; V195-M241 HydrophobicContact CG2-CE 4.38Å; L198-M241 HydrophobicContact CB-CE 3.5Å; L198-M241 VanDerWaalsContact CB-CE 3.5Å; L198-M241 HydrophobicContact CB-SD 4.2Å; L198-M241 HydrophobicContact CD2-CE 3.64Å; L198-M241 HydrophobicContact CG-CE 4.2Å; M199-M241 HydrophobicContact CG-SD 3.93Å; L205-M241 HydrophobicContact CD1-CG 4.02Å; L205-M241 HydrophobicContact CD1-SD 4.03Å; L216-M241 HydrophobicContact CD1-CB 4.41Å; A237-M241 WeakPolarHBondContact O-CB 3.31Å; A237-M241 PolarHBondContact O-N 2.8Å; F238-M241 PolarHBondContact O-N 3.25Å; F239-M241 VanDerWaalsContact C-N 3.34Å; F239-M241 PolarHBondContact O-N 3.28Å; M241-E243 VanDerWaalsContact C-N 3.33Å; M241-E243 PolarHBondContact O-N 3.26Å; M241-L244 PolarHBondContact O-N 3.07Å; M241-F245 HydrophobicContact CB-CD2 4.49Å; M241-F245 HydrophobicContact CG-CD2 3.89Å; M241-F245 WeakPolarHBondContact O-CB 3.45Å; M241-F245 PolarHBondContact O-N 3.4Å; M241-F246 HydrophobicContact CE-CE2 4.31Å; M241-F246 HydrophobicContact CG-CD2 4.24Å; M241-F246 HydrophobicContact CG-CE2 3.85Å; M241-F246 HydrophobicContact SD-CE2 4.15Å |
| 242 | K | 97.1 | Very high | 97.1 | Very high | 23 Ų | 23 | 50.1 Ų | 50.1 | 10% | 0.1 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -57.1 | -45.8 | 176.4 | 179.8 | -171.4 | 165.1 | -165.4 | 0 | 111.2 | F238 F239 F246 E247 D248 I250 | F238-K242 HydrophobicContact CE1-CD 4.14Å; F238-K242 HydrophobicContact CZ-CD 4.47Å; F238-K242 VanDerWaalsContact O-CB 3.29Å; F238-K242 WeakPolarHBondContact O-CB 3.44Å; F238-K242 PolarHBondContact O-N 2.77Å; F239-K242 HydrophobicContact CD1-CD 4.45Å; F239-K242 PolarHBondContact O-N 3.23Å; K242-F246 CarbonylContact O-C 3.39Å; K242-F246 WeakPolarHBondContact O-CA 3.46Å; K242-F246 WeakPolarHBondContact O-CB 3.31Å; K242-F246 PolarHBondContact O-N 2.9Å; K242-F246 VanDerWaalsContact O-N 3.14Å; K242-E247 PolarHBondContact O-N 3.21Å; K242-D248 WeakPolarHBondContact CE-O 3.42Å; K242-D248 PolarHBondContact NZ-O 3.41Å; K242-D248 PolarHBondContact O-N 3.36Å; K242-I250 HydrophobicContact CB-CD1 4.41Å; K242-I250 HydrophobicContact CD-CG1 4.47Å; K242-I250 HydrophobicContact CG-CD1 4.17Å; K242-I250 HydrophobicContact CG-CG1 4.16Å |
| 243 | E | 96.6 | Very high | 96.9 | Very high | 96 Ų | 96 | 53.9 Ų | 53.9 | 45% | 0.449 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -61.3 | -52.2 | 175.5 | -176.4 | -166 | 170 | 0 | 0 | 111.7 | F239 R240 M241 D248 | F239-E243 PolarHBondContact O-N 2.98Å; R240-E243 IonicContact CZ-OE2 2.72Å; R240-E243 IonicContact NH1-OE1 2.66Å; R240-E243 PolarHBondContact NH1-OE1 2.98Å; R240-E243 VanDerWaalsContact NH1-OE1 3.16Å; R240-E243 IonicContact NH1-OE2 3.16Å; R240-E243 PolarHBondContact NH1-OE2 2.81Å; M241-E243 VanDerWaalsContact C-N 3.33Å; M241-E243 PolarHBondContact O-N 3.26Å; E243-D248 WeakPolarHBondContact CA-OD1 3.43Å |
| 244 | L | 96.2 | Very high | 96.7 | Very high | 85 Ų | 85 | 58.8 Ų | 58.8 | 45% | 0.445 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -77.6 | -31.2 | -169.8 | -69.3 | 177.9 | 0 | 0 | 0 | 114.9 | L216 R240 M241 | L216-L244 HydrophobicContact CD2-CD1 4.03Å; R240-L244 HydrophobicContact CG-CD1 4.15Å; R240-L244 WeakPolarHBondContact O-CG 3.32Å; R240-L244 PolarHBondContact O-N 3.19Å; R240-L244 VanDerWaalsContact O-N 3.16Å; M241-L244 PolarHBondContact O-N 3.07Å |
| 245 | F | 96.5 | Very high | 96.6 | Very high | 78 Ų | 78 | 59.3 Ų | 59.3 | 34% | 0.342 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -121 | -11.1 | -168.7 | -61.5 | -83.3 | 0 | 0 | 0 | 114.2 | C202 S204 L205 L216 M241 | C202-F245 HydrophobicContact CB-CD1 4.05Å; C202-F245 HydrophobicContact CB-CE1 4.35Å; C202-F245 HydrophobicContact CB-CG 4.19Å; S204-F245 WeakPolarHBondContact OG-CE1 3.33Å; S204-F245 WeakPolarHBondContact OG-CZ 3.47Å; L205-F245 HydrophobicContact CD1-CD2 4.14Å; L205-F245 HydrophobicContact CD1-CE2 3.7Å; L205-F245 HydrophobicContact CD1-CZ 4.15Å; L205-F245 HydrophobicContact CD2-CE2 4.48Å; L205-F245 HydrophobicContact CD2-CZ 4.44Å; L205-F245 HydrophobicContact CG-CE2 4.11Å; L205-F245 HydrophobicContact CG-CZ 4.05Å; L216-F245 HydrophobicContact CD2-CE2 4.01Å; M241-F245 HydrophobicContact CB-CD2 4.49Å; M241-F245 HydrophobicContact CG-CD2 3.89Å; M241-F245 WeakPolarHBondContact O-CB 3.45Å; M241-F245 PolarHBondContact O-N 3.4Å |
| 246 | F | 95.6 | Very high | 96.5 | Very high | 26 Ų | 26 | 60.6 Ų | 60.6 | 11% | 0.114 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -130.8 | 12.9 | -171.9 | -63.4 | -87.5 | 0 | 0 | 0 | 113.7 | L198 C202 M241 K242 D248 H249 I250 Y255 | L198-F246 HydrophobicContact CB-CE2 4.47Å; L198-F246 HydrophobicContact CB-CZ 4.16Å; L198-F246 HydrophobicContact CD2-CE2 4.41Å; L198-F246 HydrophobicContact CD2-CZ 4.38Å; L198-F246 HydrophobicContact CG-CZ 4.45Å; C202-F246 VanDerWaalsContact SG-CE2 3.57Å; M241-F246 HydrophobicContact CE-CE2 4.31Å; M241-F246 HydrophobicContact CG-CD2 4.24Å; M241-F246 HydrophobicContact CG-CE2 3.85Å; M241-F246 HydrophobicContact SD-CE2 4.15Å; K242-F246 CarbonylContact O-C 3.39Å; K242-F246 WeakPolarHBondContact O-CA 3.46Å; K242-F246 WeakPolarHBondContact O-CB 3.31Å; K242-F246 PolarHBondContact O-N 2.9Å; K242-F246 VanDerWaalsContact O-N 3.14Å; F246-D248 PolarHBondContact O-N 3.32Å; F246-D248 VanDerWaalsContact O-N 3.15Å; F246-H249 WeakPolarHBondContact CB-O 3.3Å; F246-H249 CarbonylContact O-C 3.56Å; F246-H249 PolarHBondContact O-N 3.28Å; F246-I250 HydrophobicContact CB-CD1 3.66Å; F246-I250 HydrophobicContact CD1-CD1 3.74Å; F246-I250 HydrophobicContact CD2-CD1 3.81Å; F246-I250 HydrophobicContact CE1-CD1 4.31Å; F246-I250 HydrophobicContact CE2-CD1 4.37Å; F246-I250 HydrophobicContact CG-CD1 3.46Å; F246-I250 VanDerWaalsContact CG-CD1 3.46Å; F246-Y255 HydrophobicContact CD1-CE2 4.35Å; F246-Y255 HydrophobicContact CE1-CE1 4.39Å; F246-Y255 AromaticContact CE1-CE2 3.77Å; F246-Y255 HydrophobicContact CE1-CE2 3.77Å; F246-Y255 AromaticContact CE1-CZ 3.67Å |
| 247 | E | 94.7 | Very high | 96.4 | Very high | 183 Ų | 183 | 59.9 Ų | 59.9 | 86% | 0.855 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.3 | 40.5 | 176 | -57.8 | 176.9 | -164.9 | 0 | 0 | 112.4 | K242 H249 | K242-E247 PolarHBondContact O-N 3.21Å; E247-H249 PolarHBondContact O-N 2.97Å; E247-H249 VanDerWaalsContact O-N 3.15Å |
| 248 | D | 93.6 | Very high | 96.3 | Very high | 102 Ų | 102 | 62.3 Ų | 62.3 | 55% | 0.545 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.5 | 18.3 | -176.8 | -66.2 | -53.8 | 0 | 0 | 0 | 115.5 | K242 E243 F246 | K242-D248 WeakPolarHBondContact CE-O 3.42Å; K242-D248 PolarHBondContact NZ-O 3.41Å; K242-D248 PolarHBondContact O-N 3.36Å; E243-D248 WeakPolarHBondContact CA-OD1 3.43Å; F246-D248 PolarHBondContact O-N 3.32Å; F246-D248 VanDerWaalsContact O-N 3.15Å |
| 249 | H | 94.5 | Very high | 96.2 | Very high | 138 Ų | 138 | 62.2 Ų | 62.2 | 64% | 0.639 | 31% | 0.313 | S | S | * | . | trans | -139.9 | 123.4 | -179.3 | -175.3 | 70.4 | 0 | 0 | 0 | 113.6 | F246 E247 | F246-H249 WeakPolarHBondContact CB-O 3.3Å; F246-H249 CarbonylContact O-C 3.56Å; F246-H249 PolarHBondContact O-N 3.28Å; E247-H249 PolarHBondContact O-N 2.97Å; E247-H249 VanDerWaalsContact O-N 3.15Å | ||
| 250 | I | 96.5 | Very high | 96 | Very high | 15 Ų | 15 | 64.6 Ų | 64.6 | 8% | 0.077 | 32% | 0.321 | C | S | . | . | trans | -100 | 128.4 | 174.7 | -57.7 | -58.9 | 0 | 0 | 0 | 109.5 | Y193 L198 F238 K242 F246 D252 Y255 | Y193-I250 HydrophobicContact CD1-CG2 3.75Å; Y193-I250 HydrophobicContact CE1-CB 4.39Å; Y193-I250 HydrophobicContact CE1-CG2 3.64Å; L198-I250 HydrophobicContact CD2-CD1 3.75Å; L198-I250 HydrophobicContact CD2-CG1 4.39Å; L198-I250 HydrophobicContact CD2-CG2 4.4Å; F238-I250 HydrophobicContact CE2-CG1 4.29Å; F238-I250 HydrophobicContact CZ-CG1 4.06Å; K242-I250 HydrophobicContact CB-CD1 4.41Å; K242-I250 HydrophobicContact CD-CG1 4.47Å; K242-I250 HydrophobicContact CG-CD1 4.17Å; K242-I250 HydrophobicContact CG-CG1 4.16Å; F246-I250 HydrophobicContact CB-CD1 3.66Å; F246-I250 HydrophobicContact CD1-CD1 3.74Å; F246-I250 HydrophobicContact CD2-CD1 3.81Å; F246-I250 HydrophobicContact CE1-CD1 4.31Å; F246-I250 HydrophobicContact CE2-CD1 4.37Å; F246-I250 HydrophobicContact CG-CD1 3.46Å; F246-I250 VanDerWaalsContact CG-CD1 3.46Å; I250-D252 PolarHBondContact O-N 2.8Å; I250-Y255 HydrophobicContact CG2-CD2 3.78Å; I250-Y255 HydrophobicContact CG2-CG 4.17Å | ||
| 251 | D | 96.3 | Very high | 95.7 | Very high | 77 Ų | 77 | 62.2 Ų | 62.2 | 41% | 0.412 | 32% | 0.322 | S | S | . | . | trans | -76.1 | 106.1 | 174.1 | 176 | 5.2 | 0 | 0 | 0 | 111.2 | A253 K254 Y255 | D251-A253 VanDerWaalsContact C-N 3.32Å; D251-A253 PolarHBondContact O-N 2.86Å; D251-A253 WeakPolarHBondContact OD1-CB 3.42Å; D251-A253 PolarHBondContact OD1-N 2.89Å; D251-K254 HydrophobicContact CB-CB 4.17Å; D251-K254 PolarHBondContact O-N 3.35Å; D251-K254 VanDerWaalsContact O-N 3.15Å; D251-K254 WeakPolarHBondContact OD2-CB 3.45Å; D251-Y255 HydrophobicContact CB-CD2 4.22Å; D251-Y255 HydrophobicContact CB-CE2 4.31Å; D251-Y255 VanDerWaalsContact O-CD2 3.24Å; D251-Y255 WeakPolarHBondContact O-CD2 3.5Å; D251-Y255 PolarHBondContact O-N 3.32Å | ||
| 252 | D | 95.7 | Very high | 95.3 | Very high | 84 Ų | 84 | 62.7 Ų | 62.7 | 45% | 0.449 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -59.2 | -39.8 | -178.9 | -72.2 | -9.3 | 0 | 0 | 0 | 112.9 | Y193 I250 K254 Y255 C256 | Y193-D252 WeakPolarHBondContact CE1-OD1 3.34Å; Y193-D252 PolarHBondContact OH-OD1 3.15Å; I250-D252 PolarHBondContact O-N 2.8Å; D252-K254 PolarHBondContact O-N 3.24Å; D252-K254 VanDerWaalsContact O-N 3.13Å; D252-Y255 PolarHBondContact O-N 2.9Å; D252-C256 HydrophobicContact CB-CB 4.07Å; D252-C256 WeakPolarHBondContact O-CB 3.48Å; D252-C256 PolarHBondContact O-N 3.07Å |
| 253 | A | 94.7 | Very high | 94.3 | Very high | 81 Ų | 81 | 61.8 Ų | 61.8 | 67% | 0.669 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -62.9 | -26.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112 | D251 | D251-A253 VanDerWaalsContact C-N 3.32Å; D251-A253 PolarHBondContact O-N 2.86Å; D251-A253 WeakPolarHBondContact OD1-CB 3.42Å; D251-A253 PolarHBondContact OD1-N 2.89Å |
| 254 | K | 95.1 | Very high | 92.8 | Very high | 104 Ų | 104 | 61.7 Ų | 61.7 | 45% | 0.452 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -94.3 | -38.7 | -178.7 | -172.6 | 172.6 | 176.7 | -166 | 0 | 113.3 | D251 D252 | D251-K254 HydrophobicContact CB-CB 4.17Å; D251-K254 PolarHBondContact O-N 3.35Å; D251-K254 VanDerWaalsContact O-N 3.15Å; D251-K254 WeakPolarHBondContact OD2-CB 3.45Å; D252-K254 PolarHBondContact O-N 3.24Å; D252-K254 VanDerWaalsContact O-N 3.13Å |
| 255 | Y | 96.8 | Very high | 90.6 | Very high | 11 Ų | 11 | 60.9 Ų | 60.9 | 4% | 0.043 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -114.7 | -26.4 | -166.6 | -60.1 | -68.3 | 0 | 0 | 0 | 114.7 | Y197 L198 S201 F246 I250 D251 D252 G257 R258 | Y197-Y255 HydrophobicContact CD1-CD1 4.12Å; Y197-Y255 HydrophobicContact CE1-CD1 4.09Å; L198-Y255 HydrophobicContact CD1-CD1 4.39Å; L198-Y255 HydrophobicContact CG-CD1 4Å; L198-Y255 HydrophobicContact CG-CG 4.23Å; S201-Y255 WeakPolarHBondContact CB-OH 2.86Å; S201-Y255 PolarHBondContact OG-OH 3.06Å; F246-Y255 HydrophobicContact CD1-CE2 4.35Å; F246-Y255 HydrophobicContact CE1-CE1 4.39Å; F246-Y255 AromaticContact CE1-CE2 3.77Å; F246-Y255 HydrophobicContact CE1-CE2 3.77Å; F246-Y255 AromaticContact CE1-CZ 3.67Å; I250-Y255 HydrophobicContact CG2-CD2 3.78Å; I250-Y255 HydrophobicContact CG2-CG 4.17Å; D251-Y255 HydrophobicContact CB-CD2 4.22Å; D251-Y255 HydrophobicContact CB-CE2 4.31Å; D251-Y255 VanDerWaalsContact O-CD2 3.24Å; D251-Y255 WeakPolarHBondContact O-CD2 3.5Å; D251-Y255 PolarHBondContact O-N 3.32Å; D252-Y255 PolarHBondContact O-N 2.9Å; Y255-G257 PolarHBondContact O-N 3.02Å; Y255-R258 PolarHBondContact O-N 3.14Å |
| 256 | C | 97.3 | Very high | 88 | Confident | 28 Ų | 28 | 59.3 Ų | 59.3 | 19% | 0.189 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | 133.6 | -175.7 | -171.9 | 0 | 0 | 0 | 0 | 111.5 | I192 Y193 D252 R258 | I192-C256 CarbonylContact O-C 3.57Å; I192-C256 WeakPolarHBondContact O-CA 3.35Å; Y193-C256 HydrophobicContact CE1-CB 4.09Å; D252-C256 HydrophobicContact CB-CB 4.07Å; D252-C256 WeakPolarHBondContact O-CB 3.48Å; D252-C256 PolarHBondContact O-N 3.07Å; C256-R258 PolarHBondContact O-N 2.81Å |
| 257 | G | 96.2 | Very high | 85.1 | Confident | 15 Ų | 15 | 63.4 Ų | 63.4 | 16% | 0.155 | 37% | 0.374 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 74.1 | 9.2 | 178 | 0 | 0 | 0 | 0 | 0 | 114.5 | I192 Y255 | I192-G257 PolarHBondContact O-N 3.07Å; Y255-G257 PolarHBondContact O-N 3.02Å |
| 258 | R | 95.5 | Very high | 82.5 | Confident | 51 Ų | 51 | 61.1 Ų | 61.1 | 19% | 0.192 | 36% | 0.363 | C | S | . | . | B | Isolated β-bridge | trans | -95.3 | 109.5 | 180 | -58.7 | -59.9 | -175.1 | -178.4 | -4.5 | 110.8 | D194 Y197 Y255 C256 G263 S266 | D194-R258 VanDerWaalsContact CB-O 3.32Å; D194-R258 WeakPolarHBondContact CB-O 3.48Å; Y197-R258 HydrophobicContact CD1-CB 3.68Å; Y197-R258 HydrophobicContact CD1-CG 4.43Å; Y197-R258 HydrophobicContact CD2-CB 3.98Å; Y197-R258 HydrophobicContact CE1-CB 3.57Å; Y197-R258 HydrophobicContact CE1-CG 3.87Å; Y197-R258 HydrophobicContact CE2-CB 3.88Å; Y197-R258 HydrophobicContact CE2-CG 4.49Å; Y197-R258 HydrophobicContact CG-CB 3.9Å; Y255-R258 PolarHBondContact O-N 3.14Å; C256-R258 PolarHBondContact O-N 2.81Å; R258-G263 PolarHBondContact NH1-O 2.61Å; R258-S266 PolarHBondContact NH1-O 2.97Å; R258-S266 PolarHBondContact NH1-OG 2.89Å; R258-S266 PolarHBondContact NH2-O 3.12Å |
| 259 | L | 96.6 | Very high | 79.6 | Confident | 1 Ų | 1 | 61.7 Ų | 61.7 | 1% | 0.005 | 37% | 0.373 | C | S | . | . | trans | -88.2 | 139.8 | 173.6 | -54.8 | -173.3 | 0 | 0 | 0 | 110.8 | F162 F181 F182 L185 I192 G261 L262 | F162-L259 HydrophobicContact CB-CD1 4.45Å; F162-L259 HydrophobicContact CD2-CD1 4.3Å; F162-L259 HydrophobicContact CD2-CD2 3.72Å; F162-L259 HydrophobicContact CE2-CD2 3.95Å; F181-L259 HydrophobicContact CE1-CD1 4.34Å; F182-L259 HydrophobicContact CE1-CD1 4.16Å; F182-L259 HydrophobicContact CE1-CG 4.07Å; F182-L259 HydrophobicContact CZ-CB 4.44Å; F182-L259 HydrophobicContact CZ-CD1 4.19Å; F182-L259 HydrophobicContact CZ-CG 4.27Å; L185-L259 HydrophobicContact CD2-CD1 3.8Å; L185-L259 HydrophobicContact CD2-CG 4.38Å; I192-L259 HydrophobicContact CD1-CD2 4.41Å; I192-L259 HydrophobicContact CG2-CD2 3.81Å; L259-G261 PolarHBondContact O-N 2.81Å; L259-L262 HydrophobicContact CB-CB 4.33Å; L259-L262 HydrophobicContact CD1-CD1 4.33Å; L259-L262 PolarHBondContact O-N 2.88Å | ||
| 260 | Y | 94.9 | Very high | 76.9 | Confident | 77 Ų | 77 | 64.3 Ų | 64.3 | 30% | 0.302 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | 126.5 | 176.3 | -177 | -84.7 | 0 | 0 | 0 | 110.9 | H157 D194 K196 | H157-Y260 AromaticContact CD2-CD1 3.34Å; H157-Y260 WeakPolarHBondContact CD2-CD1 3.36Å; H157-Y260 AromaticContact NE2-CD1 3.45Å; H157-Y260 WeakPolarHBondContact NE2-CD1 3.37Å; H157-Y260 AromaticContact NE2-CE1 3.78Å; D194-Y260 PolarHBondContact OD2-N 2.78Å; D194-Y260 VanDerWaalsContact OD2-N 3.09Å; K196-Y260 HydrophobicContact CB-CD2 4.19Å; K196-Y260 HydrophobicContact CB-CG 4.17Å; K196-Y260 HydrophobicContact CG-CD1 4.08Å; K196-Y260 HydrophobicContact CG-CD2 3.47Å; K196-Y260 VanDerWaalsContact CG-CD2 3.47Å; K196-Y260 HydrophobicContact CG-CE1 4.4Å; K196-Y260 HydrophobicContact CG-CE2 3.85Å; K196-Y260 HydrophobicContact CG-CG 3.59Å |
| 261 | G | 91.4 | Very high | 73.9 | Confident | 31 Ų | 31 | 71.6 Ų | 71.6 | 32% | 0.32 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.1 | -5.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | L259 | L259-G261 PolarHBondContact O-N 2.81Š|
| 262 | L | 90.2 | Very high | 70.8 | Confident | 10 Ų | 10 | 70.4 Ų | 70.4 | 5% | 0.052 | 43% | 0.431 | C | S | . | . | S | Bend | trans | -130.2 | 168.7 | -178.4 | -60 | 175 | 0 | 0 | 0 | 111.3 | Q61 L65 E178 F182 L259 S264 | Q61-L262 HydrophobicContact CB-CD2 4.13Å; L65-L262 HydrophobicContact CD1-CD1 3.7Å; E178-L262 WeakPolarHBondContact OE1-CA 3.12Å; E178-L262 WeakPolarHBondContact OE1-CB 3.39Å; F182-L262 HydrophobicContact CE2-CB 4.05Å; F182-L262 HydrophobicContact CZ-CB 3.84Å; L259-L262 HydrophobicContact CB-CB 4.33Å; L259-L262 HydrophobicContact CD1-CD1 4.33Å; L259-L262 PolarHBondContact O-N 2.88Å; L262-S264 VanDerWaalsContact C-N 3.32Å; L262-S264 PolarHBondContact O-N 3.41Å |
| 263 | G | 75.6 | Confident | 68 | Low | 5 Ų | 5 | 74.9 Ų | 74.9 | 5% | 0.052 | 45% | 0.453 | C | S | . | . | trans | 71.1 | 19.4 | 165.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | E178 R258 G265 S266 | E178-G263 PolarHBondContact OE1-N 3.49Å; R258-G263 PolarHBondContact NH1-O 2.61Å; G263-G265 PolarHBondContact O-N 3.44Å; G263-S266 PolarHBondContact O-OG 3.4Å | ||
| 264 | S | 65.2 | Low | 65 | Low | 94 Ų | 94 | 76.3 Ų | 76.3 | 66% | 0.657 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -8.2 | -178.8 | -53.2 | 0 | 0 | 0 | 0 | 113.7 | L262 | L262-S264 VanDerWaalsContact C-N 3.32Å; L262-S264 PolarHBondContact O-N 3.41Å |
| 265 | G | 49.1 | Very low | 61.9 | Low | 67 Ų | 67 | 74.7 Ų | 74.7 | 69% | 0.691 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.2 | -7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | G263 S267 | G263-G265 PolarHBondContact O-N 3.44Å; G265-S267 PolarHBondContact O-N 3.02Å |
| 266 | S | 41.7 | Very low | 58.6 | Low | 45 Ų | 45 | 80 Ų | 80 | 32% | 0.315 | 51% | 0.509 | S | S | . | . | trans | -92.3 | 83.9 | 179.5 | 56.4 | 0 | 0 | 0 | 0 | 110.9 | R258 G263 Q268 | R258-S266 PolarHBondContact NH1-O 2.97Å; R258-S266 PolarHBondContact NH1-OG 2.89Å; R258-S266 PolarHBondContact NH2-O 3.12Å; G263-S266 PolarHBondContact O-OG 3.4Å; S266-Q268 PolarHBondContact O-N 3.4Å | ||
| 267 | S | 36.4 | Very low | 55.3 | Low | 112 Ų | 112 | 82 Ų | 82 | 78% | 0.783 | 53% | 0.534 | S | S | * | . | trans | -62.3 | 108.6 | 148.2 | 39.5 | 0 | 0 | 0 | 0 | 106.8 | G265 | G265-S267 PolarHBondContact O-N 3.02Š| ||
| 268 | Q | 39.4 | Very low | 52.2 | Low | 135 Ų | 135 | 90.5 Ų | 90.5 | 63% | 0.631 | 57% | 0.57 | S | S | * | * | trans | -55.7 | 139.2 | 168.4 | -78.5 | -174.4 | -20.4 | 0 | 0 | 108.6 | S266 Q270 | S266-Q268 PolarHBondContact O-N 3.4Å; Q268-Q270 PolarHBondContact O-N 3.4Å; Q268-Q270 VanDerWaalsContact O-N 3.16Å | ||
| 269 | P | 33.3 | Very low | 49.1 | Very low | 115 Ų | 115 | 97.1 Ų | 97.1 | 75% | 0.747 | 60% | 0.603 | S | S | * | * | trans | -62.1 | 120.3 | 169.6 | -8.4 | 21.7 | 0 | 0 | 0 | 107.9 | N271 | P269-N271 PolarHBondContact O-N 3.1Š| ||
| 270 | Q | 36.6 | Very low | 45.9 | Very low | 192 Ų | 192 | 106.1 Ų | 106.1 | 90% | 0.897 | 65% | 0.645 | S | S | * | * | trans | -61.1 | 103.5 | 164.9 | -78.4 | -176 | -19.1 | 0 | 0 | 107.7 | Q268 G272 | Q268-Q270 PolarHBondContact O-N 3.4Å; Q268-Q270 VanDerWaalsContact O-N 3.16Å; Q270-G272 PolarHBondContact O-N 3.43Å | ||
| 271 | N | 34.2 | Very low | 42.8 | Very low | 169 Ų | 169 | 109.2 Ų | 109.2 | 90% | 0.904 | 67% | 0.673 | S | S | * | * | trans | -72.4 | 76.5 | 161.2 | -90.5 | -12.9 | 0 | 0 | 0 | 108.4 | P269 | P269-N271 PolarHBondContact O-N 3.1Š| ||
| 272 | G | 31 | Very low | 39.8 | Very low | 52 Ų | 52 | 115.6 Ų | 115.6 | 54% | 0.536 | 70% | 0.699 | S | S | . | * | trans | -108.3 | 95.9 | 167 | 0 | 0 | 0 | 0 | 0 | 109 | Q270 S274 | Q270-G272 PolarHBondContact O-N 3.43Å; G272-S274 PolarHBondContact O-N 3.07Å | ||
| 273 | I | 37.2 | Very low | 36.8 | Very low | 178 Ų | 178 | 122.2 Ų | 122.2 | 91% | 0.913 | 74% | 0.735 | S | S | * | * | trans | -63.2 | 93.6 | 159.6 | -62.5 | 172.6 | 0 | 0 | 0 | 105.9 | ||||
| 274 | S | 31.7 | Very low | 34.5 | Very low | 111 Ų | 111 | 130.6 Ų | 130.6 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | trans | -96.6 | 108.2 | 167.9 | 34.8 | 0 | 0 | 0 | 0 | 107 | G272 S276 | G272-S274 PolarHBondContact O-N 3.07Å; S274-S276 PolarHBondContact O-N 3.4Å | ||
| 275 | G | 29 | Very low | 33 | Very low | 69 Ų | 69 | 138.1 Ų | 138.1 | 71% | 0.711 | 79% | 0.794 | S | S | * | * | trans | -56.1 | 134.5 | 175 | 0 | 0 | 0 | 0 | 0 | 110.9 | G277 | G275-G277 PolarHBondContact O-N 3.29Š| ||
| 276 | S | 28.8 | Very low | 32.2 | Very low | 122 Ų | 122 | 141.7 Ų | 141.7 | 85% | 0.853 | 80% | 0.799 | S | S | * | * | trans | -59 | 102.1 | 173.5 | 51.2 | 0 | 0 | 0 | 0 | 111.2 | S274 | S274-S276 PolarHBondContact O-N 3.4Š| ||
| 277 | G | 28.2 | Very low | 31.7 | Very low | 71 Ų | 71 | 146.7 Ų | 146.7 | 73% | 0.732 | 82% | 0.824 | S | S | * | * | trans | -95.1 | 112.2 | 158.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | G275 E279 | G275-G277 PolarHBondContact O-N 3.29Å; G277-E279 PolarHBondContact O-N 2.99Å | ||
| 278 | Q | 30.2 | Very low | 31.5 | Very low | 193 Ų | 193 | 148.7 Ų | 148.7 | 90% | 0.902 | 83% | 0.827 | S | S | * | * | trans | -68.3 | 119.2 | 171.3 | -73.5 | 176 | -37.3 | 0 | 0 | 109.2 | ||||
| 279 | E | 31 | Very low | 31 | Very low | 191 Ų | 191 | 149.5 Ų | 149.5 | 89% | 0.893 | 84% | 0.838 | S | S | * | * | trans | -98.6 | 114.6 | 160.9 | -95.1 | -177.3 | 161.7 | 0 | 0 | 109.2 | G277 T281 | G277-E279 PolarHBondContact O-N 2.99Å; E279-T281 PolarHBondContact O-N 3.34Å | ||
| 280 | E | 29.3 | Very low | 30.9 | Very low | 190 Ų | 190 | 151.6 Ų | 151.6 | 89% | 0.888 | 84% | 0.844 | S | S | * | * | trans | -63.6 | 125.1 | 170.8 | -74.6 | 178.8 | 140.1 | 0 | 0 | 110.4 | N282 | E280-N282 PolarHBondContact O-N 3.31Š| ||
| 281 | T | 30 | Very low | 30.5 | Very low | 142 Ų | 142 | 148.9 Ų | 148.9 | 87% | 0.871 | 84% | 0.84 | S | S | * | * | trans | -76.9 | 107.9 | 169.8 | 35.4 | 0 | 0 | 0 | 0 | 109.4 | E279 | E279-T281 PolarHBondContact O-N 3.34Š| ||
| 282 | N | 28.6 | Very low | 30.2 | Very low | 165 Ų | 165 | 147.5 Ų | 147.5 | 88% | 0.882 | 84% | 0.836 | S | S | * | * | trans | -98.5 | 100 | 167.4 | -120.6 | -10.4 | 0 | 0 | 0 | 110.2 | E280 | E280-N282 PolarHBondContact O-N 3.31Š| ||
| 283 | N | 26.9 | Very low | 30.2 | Very low | 149 Ų | 149 | 154.8 Ų | 154.8 | 80% | 0.797 | 86% | 0.859 | S | S | * | * | trans | -68.3 | 129.9 | 163.5 | -110 | -22.1 | 0 | 0 | 0 | 109.3 | ||||
| 284 | K | 27.3 | Very low | 29.6 | Very low | 180 Ų | 180 | 152.9 Ų | 152.9 | 78% | 0.783 | 86% | 0.855 | S | S | * | * | 167.8 | 131.2 | 122.6 | -92.4 | 168.8 | -175 | -179.4 | 0 | 114.2 | |||||
| 285 | H | 33.7 | Very low | 29.4 | Very low | 252 Ų | 252 | 156.7 Ų | 156.7 | 100% | 1.167 | 86% | 0.862 | S | S | * | * | trans | 88.4 | 0 | 150.4 | -64 | 11.2 | 0 | 0 | 0 | 117.1 |
Retrieved 285 of 285 residues in 1046.5 ms
(Link to these results)