| 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 | 27.9 | Very low | 47.9 | Very low | 242 Ų | 242 | 99.5 Ų | 99.5 | 100% | 1.192 | 62% | 0.622 | S | S | * | * | 0 | 110.3 | 0 | -67.3 | 178.3 | -171.5 | 0 | 0 | 106.2 | S3 | M1-S3 PolarHBondContact O-N 3.35Š| |||
| 2 | A | 26.2 | Very low | 49.9 | Very low | 102 Ų | 102 | 110.1 Ų | 110.1 | 84% | 0.843 | 64% | 0.642 | S | S | * | * | trans | -61.8 | 118.7 | 166.9 | 0 | 0 | 0 | 0 | 0 | 105.7 | E4 | A2-E4 PolarHBondContact O-N 2.96Š| ||
| 3 | S | 30.8 | Very low | 51.8 | Low | 106 Ų | 106 | 110.4 Ų | 110.4 | 74% | 0.741 | 63% | 0.631 | S | S | * | * | trans | -56.6 | 124.5 | 168.3 | 46.7 | 0 | 0 | 0 | 0 | 106.4 | M1 S5 | M1-S3 PolarHBondContact O-N 3.35Å; S3-S5 VanDerWaalsContact C-N 3.26Å; S3-S5 PolarHBondContact O-N 2.85Å | ||
| 4 | E | 40.7 | Very low | 53.6 | Low | 176 Ų | 176 | 114 Ų | 114 | 82% | 0.822 | 66% | 0.655 | S | S | * | * | trans | -56.7 | 99.8 | 166.1 | -77.7 | -170.9 | 149.1 | 0 | 0 | 106.2 | A2 G6 | A2-E4 PolarHBondContact O-N 2.96Å; E4-G6 PolarHBondContact O-N 3.07Å | ||
| 5 | S | 44.5 | Very low | 55.5 | Low | 74 Ų | 74 | 109.9 Ų | 109.9 | 52% | 0.517 | 65% | 0.647 | S | S | . | * | trans | -64.5 | 111.9 | 176.5 | 63.5 | 0 | 0 | 0 | 0 | 106.3 | S3 K7 | S3-S5 VanDerWaalsContact C-N 3.26Å; S3-S5 PolarHBondContact O-N 2.85Å; S5-K7 PolarHBondContact O-N 3.47Å | ||
| 6 | G | 52.1 | Low | 57.1 | Low | 52 Ų | 52 | 109.5 Ų | 109.5 | 54% | 0.536 | 66% | 0.661 | S | S | . | * | trans | -63 | 8.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | E4 | E4-G6 PolarHBondContact O-N 3.07Š| ||
| 7 | K | 58.1 | Low | 58.6 | Low | 47 Ų | 47 | 105.4 Ų | 105.4 | 20% | 0.204 | 64% | 0.636 | C | S | . | * | trans | -82.1 | 126.2 | 179.7 | -60.4 | -166.6 | 178.9 | -170.6 | 0 | 110 | S5 W9 G10 E22 | S5-K7 PolarHBondContact O-N 3.47Å; K7-W9 HydrophobicContact CB-CD2 4.45Å; K7-W9 HydrophobicContact CD-CH2 4.06Å; K7-W9 HydrophobicContact CD-CZ2 4.01Å; K7-W9 HydrophobicContact CD-CZ3 4.35Å; K7-W9 PolarHBondContact O-N 3.32Å; K7-G10 PolarHBondContact O-N 2.65Å; K7-E22 WeakPolarHBondContact CE-OE1 3.42Å; K7-E22 IonicContact NZ-OE1 3.93Å; K7-E22 PolarHBondContact NZ-OE1 3.37Å | ||
| 8 | L | 58.1 | Low | 60.4 | Low | 87 Ų | 87 | 104.7 Ų | 104.7 | 46% | 0.455 | 63% | 0.628 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -59.8 | -16.1 | 179 | -72.9 | 153.5 | 0 | 0 | 0 | 114.1 | T90 E93 | L8-T90 HydrophobicContact CD1-CG2 4.48Å; L8-T90 WeakPolarHBondContact CD1-OG1 3.43Å; L8-E93 WeakPolarHBondContact CD2-OE2 3.44Å |
| 9 | W | 65.2 | Low | 62 | Low | 94 Ų | 94 | 104.3 Ų | 104.3 | 36% | 0.356 | 63% | 0.628 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -115.4 | 12.8 | -175.4 | 43.3 | -93.3 | 0 | 0 | 0 | 113.8 | K7 G11 F13 V17 E86 | K7-W9 HydrophobicContact CB-CD2 4.45Å; K7-W9 HydrophobicContact CD-CH2 4.06Å; K7-W9 HydrophobicContact CD-CZ2 4.01Å; K7-W9 HydrophobicContact CD-CZ3 4.35Å; K7-W9 PolarHBondContact O-N 3.32Å; W9-G11 VanDerWaalsContact C-N 3.33Å; W9-G11 PolarHBondContact O-N 3.41Å; W9-F13 HydrophobicContact CD2-CE2 4.33Å; W9-F13 HydrophobicContact CD2-CZ 4.44Å; W9-F13 HydrophobicContact CE3-CD1 4.44Å; W9-F13 AromaticContact CE3-CD2 3.76Å; W9-F13 HydrophobicContact CE3-CD2 3.76Å; W9-F13 AromaticContact CE3-CE1 3.93Å; W9-F13 HydrophobicContact CE3-CE1 3.93Å; W9-F13 AromaticContact CE3-CE2 3.22Å; W9-F13 HydrophobicContact CE3-CE2 3.22Å; W9-F13 HydrophobicContact CE3-CG 4.37Å; W9-F13 AromaticContact CE3-CZ 3.29Å; W9-F13 HydrophobicContact CE3-CZ 3.29Å; W9-F13 HydrophobicContact CH2-CZ 4.5Å; W9-F13 AromaticContact CZ3-CD1 3.94Å; W9-F13 HydrophobicContact CZ3-CD1 3.94Å; W9-F13 HydrophobicContact CZ3-CD2 4.07Å; W9-F13 AromaticContact CZ3-CE1 3.46Å; W9-F13 HydrophobicContact CZ3-CE1 3.46Å; W9-F13 VanDerWaalsContact CZ3-CE1 3.46Å; W9-F13 AromaticContact CZ3-CE2 3.68Å; W9-F13 HydrophobicContact CZ3-CE2 3.68Å; W9-F13 HydrophobicContact CZ3-CG 4.23Å; W9-F13 AromaticContact CZ3-CZ 3.31Å; W9-F13 HydrophobicContact CZ3-CZ 3.31Å; W9-F13 VanDerWaalsContact O-CD2 3.24Å; W9-F13 WeakPolarHBondContact O-CD2 3.49Å; W9-F13 WeakPolarHBondContact O-CE2 3.39Å; W9-V17 HydrophobicContact CH2-CG2 3.96Å; W9-V17 HydrophobicContact CZ3-CG2 4.23Å; W9-E86 VanDerWaalsContact CE2-OE2 3.31Å; W9-E86 VanDerWaalsContact CZ2-OE2 3.29Å; W9-E86 WeakPolarHBondContact CZ2-OE2 3.49Å; W9-E86 PolarHBondContact NE1-OE2 3.23Å |
| 10 | G | 57.8 | Low | 63.6 | Low | 22 Ų | 22 | 105.9 Ų | 105.9 | 23% | 0.227 | 63% | 0.632 | C | S | . | * | G | 310 helix | trans | -65.5 | -20.8 | -169.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | K7 R12 F13 | K7-G10 PolarHBondContact O-N 2.65Å; G10-R12 PolarHBondContact O-N 3.24Å; G10-F13 PolarHBondContact O-N 2.88Å |
| 11 | G | 65.6 | Low | 65 | Low | 92 Ų | 92 | 105.4 Ų | 105.4 | 95% | 0.948 | 62% | 0.624 | S | S | * | * | G | 310 helix | trans | -62.5 | -12.9 | -168 | 0 | 0 | 0 | 0 | 0 | 116.9 | W9 | W9-G11 VanDerWaalsContact C-N 3.33Å; W9-G11 PolarHBondContact O-N 3.41Å |
| 12 | R | 72.5 | Confident | 68 | Low | 227 Ų | 227 | 97.3 Ų | 97.3 | 86% | 0.857 | 58% | 0.583 | S | S | * | * | G | 310 helix | trans | -107.2 | -11 | -178 | -173.3 | 172.7 | 174.9 | 131.5 | 0.5 | 114.1 | G10 | G10-R12 PolarHBondContact O-N 3.24Š|
| 13 | F | 74 | Confident | 71.1 | Confident | 114 Ų | 114 | 100.9 Ų | 100.9 | 50% | 0.5 | 58% | 0.58 | S | S | . | * | trans | -89.2 | 120.1 | -165.8 | -68.7 | -100.9 | 0 | 0 | 0 | 110.9 | W9 G10 | W9-F13 HydrophobicContact CD2-CE2 4.33Å; W9-F13 HydrophobicContact CD2-CZ 4.44Å; W9-F13 HydrophobicContact CE3-CD1 4.44Å; W9-F13 AromaticContact CE3-CD2 3.76Å; W9-F13 HydrophobicContact CE3-CD2 3.76Å; W9-F13 AromaticContact CE3-CE1 3.93Å; W9-F13 HydrophobicContact CE3-CE1 3.93Å; W9-F13 AromaticContact CE3-CE2 3.22Å; W9-F13 HydrophobicContact CE3-CE2 3.22Å; W9-F13 HydrophobicContact CE3-CG 4.37Å; W9-F13 AromaticContact CE3-CZ 3.29Å; W9-F13 HydrophobicContact CE3-CZ 3.29Å; W9-F13 HydrophobicContact CH2-CZ 4.5Å; W9-F13 AromaticContact CZ3-CD1 3.94Å; W9-F13 HydrophobicContact CZ3-CD1 3.94Å; W9-F13 HydrophobicContact CZ3-CD2 4.07Å; W9-F13 AromaticContact CZ3-CE1 3.46Å; W9-F13 HydrophobicContact CZ3-CE1 3.46Å; W9-F13 VanDerWaalsContact CZ3-CE1 3.46Å; W9-F13 AromaticContact CZ3-CE2 3.68Å; W9-F13 HydrophobicContact CZ3-CE2 3.68Å; W9-F13 HydrophobicContact CZ3-CG 4.23Å; W9-F13 AromaticContact CZ3-CZ 3.31Å; W9-F13 HydrophobicContact CZ3-CZ 3.31Å; W9-F13 VanDerWaalsContact O-CD2 3.24Å; W9-F13 WeakPolarHBondContact O-CD2 3.49Å; W9-F13 WeakPolarHBondContact O-CE2 3.39Å; G10-F13 PolarHBondContact O-N 2.88Å | ||
| 14 | V | 77.5 | Confident | 74.2 | Confident | 161 Ų | 161 | 103.7 Ų | 103.7 | 98% | 0.976 | 58% | 0.579 | S | S | * | * | S | Bend | trans | -85.7 | -6.6 | -179.3 | -66 | 0 | 0 | 0 | 0 | 113.7 | ||
| 15 | G | 81.5 | Confident | 76.8 | Confident | 52 Ų | 52 | 96.5 Ų | 96.5 | 54% | 0.536 | 55% | 0.546 | S | S | . | . | S | Bend | trans | -148.6 | 178 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 16 | A | 80.9 | Confident | 79.2 | Confident | 104 Ų | 104 | 94.4 Ų | 94.4 | 86% | 0.86 | 53% | 0.534 | S | S | * | . | P | Polyproline II helix | trans | -81 | 148 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 17 | V | 82.9 | Confident | 81.3 | Confident | 40 Ų | 40 | 92.1 Ų | 92.1 | 24% | 0.242 | 51% | 0.509 | C | S | . | . | P | Polyproline II helix | trans | -71 | 141 | 171 | -179.2 | 0 | 0 | 0 | 0 | 108.5 | W9 M21 E22 | W9-V17 HydrophobicContact CH2-CG2 3.96Å; W9-V17 HydrophobicContact CZ3-CG2 4.23Å; V17-M21 HydrophobicContact CG1-CB 4.01Å; V17-M21 HydrophobicContact CG1-CG 4.02Å; V17-E22 HydrophobicContact CG1-CB 4.2Å |
| 18 | D | 90.7 | Very high | 83.2 | Confident | 93 Ų | 93 | 91 Ų | 91 | 50% | 0.497 | 51% | 0.505 | S | S | . | . | P | Polyproline II helix | trans | -60.8 | 135.4 | 174.9 | -172.6 | -73.3 | 0 | 0 | 0 | 110.5 | I20 M21 E22 | D18-I20 PolarHBondContact O-N 3.49Å; D18-I20 VanDerWaalsContact OD1-CB 3.28Å; D18-I20 WeakPolarHBondContact OD1-CB 3.32Å; D18-I20 PolarHBondContact OD1-N 3.11Å; D18-M21 HydrophobicContact CB-CB 4.24Å; D18-M21 WeakPolarHBondContact O-CB 3.49Å; D18-M21 PolarHBondContact O-N 3.32Å; D18-E22 PolarHBondContact O-N 3.44Å |
| 19 | P | 90.3 | Very high | 85 | Confident | 97 Ų | 97 | 90.2 Ų | 90.2 | 63% | 0.63 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -56.5 | -32.2 | -179.6 | -26.1 | 34.4 | 0 | 0 | 0 | 114.6 | K23 | P19-K23 WeakPolarHBondContact O-CB 3.46Å; P19-K23 PolarHBondContact O-N 3.05Å |
| 20 | I | 94.5 | Very high | 86.5 | Confident | 136 Ų | 136 | 87.5 Ų | 87.5 | 70% | 0.697 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -66.5 | -46.1 | 175.5 | -61.5 | 178.5 | 0 | 0 | 0 | 109.6 | D18 E22 K23 F24 | D18-I20 PolarHBondContact O-N 3.49Å; D18-I20 VanDerWaalsContact OD1-CB 3.28Å; D18-I20 WeakPolarHBondContact OD1-CB 3.32Å; D18-I20 PolarHBondContact OD1-N 3.11Å; I20-E22 VanDerWaalsContact C-N 3.35Å; I20-K23 PolarHBondContact O-N 3.03Å; I20-F24 VanDerWaalsContact O-CB 3.27Å; I20-F24 WeakPolarHBondContact O-CB 3.49Å; I20-F24 PolarHBondContact O-N 3.04Å |
| 21 | M | 93.4 | Very high | 88.4 | Confident | 96 Ų | 96 | 86.5 Ų | 86.5 | 47% | 0.473 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.8 | -39.5 | 178.1 | -177.1 | 60.6 | -168.4 | 0 | 0 | 111.5 | V17 D18 F24 N25 | V17-M21 HydrophobicContact CG1-CB 4.01Å; V17-M21 HydrophobicContact CG1-CG 4.02Å; D18-M21 HydrophobicContact CB-CB 4.24Å; D18-M21 WeakPolarHBondContact O-CB 3.49Å; D18-M21 PolarHBondContact O-N 3.32Å; M21-F24 PolarHBondContact O-N 3.24Å; M21-F24 HydrophobicContact SD-CD1 4.26Å; M21-N25 HydrophobicContact CE-CB 4.3Å; M21-N25 WeakPolarHBondContact O-CB 3.36Å; M21-N25 PolarHBondContact O-N 3.38Å |
| 22 | E | 90.7 | Very high | 90 | Very high | 71 Ų | 71 | 86.8 Ų | 86.8 | 33% | 0.332 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -62.2 | -46.6 | 177.7 | -174.5 | 161.4 | -136.7 | 0 | 0 | 111.5 | K7 V17 D18 I20 N25 A26 | K7-E22 WeakPolarHBondContact CE-OE1 3.42Å; K7-E22 IonicContact NZ-OE1 3.93Å; K7-E22 PolarHBondContact NZ-OE1 3.37Å; V17-E22 HydrophobicContact CG1-CB 4.2Å; D18-E22 PolarHBondContact O-N 3.44Å; I20-E22 VanDerWaalsContact C-N 3.35Å; E22-N25 PolarHBondContact O-N 2.93Å; E22-A26 WeakPolarHBondContact O-CB 3.37Å; E22-A26 PolarHBondContact O-N 2.89Å |
| 23 | K | 92 | Very high | 91 | Very high | 178 Ų | 178 | 81 Ų | 81 | 77% | 0.774 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -64 | -40.8 | 174.6 | -177 | -178 | 175 | -174.9 | 0 | 112.4 | P19 I20 N25 | P19-K23 WeakPolarHBondContact O-CB 3.46Å; P19-K23 PolarHBondContact O-N 3.05Å; I20-K23 PolarHBondContact O-N 3.03Å; K23-N25 VanDerWaalsContact C-N 3.33Å |
| 24 | F | 94.7 | Very high | 92.2 | Very high | 165 Ų | 165 | 75.6 Ų | 75.6 | 72% | 0.724 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -68.3 | -32.3 | -179.5 | 179.9 | -108.7 | 0 | 0 | 0 | 112.6 | I20 M21 | I20-F24 VanDerWaalsContact O-CB 3.27Å; I20-F24 WeakPolarHBondContact O-CB 3.49Å; I20-F24 PolarHBondContact O-N 3.04Å; M21-F24 PolarHBondContact O-N 3.24Å; M21-F24 HydrophobicContact SD-CD1 4.26Å |
| 25 | N | 94.8 | Very high | 93.2 | Very high | 25 Ų | 25 | 70.6 Ų | 70.6 | 13% | 0.134 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -84.6 | -26.8 | 179.8 | 175.7 | 85 | 0 | 0 | 0 | 113.6 | M21 E22 K23 S27 E86 K323 Q326 | M21-N25 HydrophobicContact CE-CB 4.3Å; M21-N25 WeakPolarHBondContact O-CB 3.36Å; M21-N25 PolarHBondContact O-N 3.38Å; E22-N25 PolarHBondContact O-N 2.93Å; K23-N25 VanDerWaalsContact C-N 3.33Å; N25-S27 PolarHBondContact O-N 3.08Å; N25-E86 PolarHBondContact ND2-OE1 2.94Å; N25-K323 WeakPolarHBondContact OD1-CE 3.47Å; N25-K323 PolarHBondContact OD1-NZ 2.93Å; N25-K323 VanDerWaalsContact OD1-NZ 3.1Å; N25-Q326 PolarHBondContact O-NE2 2.92Å |
| 26 | A | 95.3 | Very high | 94 | Very high | 30 Ų | 30 | 73 Ų | 73 | 25% | 0.248 | 38% | 0.383 | C | S | . | . | trans | -64.6 | 132.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | E22 E86 | E22-A26 WeakPolarHBondContact O-CB 3.37Å; E22-A26 PolarHBondContact O-N 2.89Å; A26-E86 WeakPolarHBondContact CA-O 3.42Å | ||
| 27 | S | 97.4 | Very high | 94.9 | Very high | 4 Ų | 4 | 68.1 Ų | 68.1 | 3% | 0.028 | 34% | 0.343 | C | S | . | . | trans | -110.6 | -7.2 | 177 | 48 | 0 | 0 | 0 | 0 | 113.9 | N25 A29 Y30 D31 E86 D87 Q326 | N25-S27 PolarHBondContact O-N 3.08Å; S27-A29 PolarHBondContact O-N 3.21Å; S27-Y30 VanDerWaalsContact CB-CE2 3.45Å; S27-Y30 VanDerWaalsContact CB-CZ 3.41Å; S27-Y30 WeakPolarHBondContact CB-OH 3.18Å; S27-Y30 PolarHBondContact O-N 2.84Å; S27-D31 VanDerWaalsContact C-CG 3.47Å; S27-D31 WeakPolarHBondContact CB-OD2 3.45Å; S27-D31 VanDerWaalsContact O-CG 3.25Å; S27-D31 PolarHBondContact O-N 2.8Å; S27-D31 PolarHBondContact OG-OD2 2.69Å; S27-E86 PolarHBondContact N-O 3.36Å; S27-D87 WeakPolarHBondContact OG-CB 3.37Å; S27-Q326 PolarHBondContact OG-NE2 3.34Å | ||
| 28 | I | 97.5 | Very high | 95.6 | Very high | 22 Ų | 22 | 66.3 Ų | 66.3 | 11% | 0.113 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -20.5 | -179.4 | -165.8 | 58.7 | 0 | 0 | 0 | 115 | Y30 D31 R32 L81 D85 E86 I88 A91 | I28-Y30 VanDerWaalsContact C-N 3.25Å; I28-Y30 PolarHBondContact O-N 3.19Å; I28-D31 VanDerWaalsContact CA-OD1 3.22Å; I28-D31 WeakPolarHBondContact CA-OD1 3.35Å; I28-D31 PolarHBondContact N-OD1 2.73Å; I28-R32 HydrophobicContact CD1-CB 4.4Å; I28-R32 PolarHBondContact O-NE 3.23Å; I28-R32 PolarHBondContact O-NH2 2.63Å; I28-L81 HydrophobicContact CD1-CD2 3.55Å; I28-L81 HydrophobicContact CG1-CD2 3.19Å; I28-D85 HydrophobicContact CG1-CB 4.49Å; I28-D85 WeakPolarHBondContact CG2-O 3.49Å; I28-E86 PolarHBondContact N-O 3.17Å; I28-E86 VanDerWaalsContact N-O 3.16Å; I28-I88 HydrophobicContact CD1-CB 4.29Å; I28-A91 HydrophobicContact CD1-CB 4.3Å |
| 29 | A | 96.3 | Very high | 96 | Very high | 71 Ų | 71 | 62.1 Ų | 62.1 | 59% | 0.587 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -34.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | S27 R32 | S27-A29 PolarHBondContact O-N 3.21Å; A29-R32 PolarHBondContact O-NE 2.99Å |
| 30 | Y | 96.9 | Very high | 96.4 | Very high | 38 Ų | 38 | 61 Ų | 61 | 15% | 0.149 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -125.1 | -35.3 | -175.1 | 51.7 | -101.2 | 0 | 0 | 0 | 113.4 | S27 I28 R32 H33 K329 E330 F333 | S27-Y30 VanDerWaalsContact CB-CE2 3.45Å; S27-Y30 VanDerWaalsContact CB-CZ 3.41Å; S27-Y30 WeakPolarHBondContact CB-OH 3.18Å; S27-Y30 PolarHBondContact O-N 2.84Å; I28-Y30 VanDerWaalsContact C-N 3.25Å; I28-Y30 PolarHBondContact O-N 3.19Å; Y30-R32 PolarHBondContact O-N 3.46Å; Y30-R32 VanDerWaalsContact O-N 3.15Å; Y30-H33 PolarHBondContact O-CD2 3.44Å; Y30-H33 PolarHBondContact O-N 2.73Å; Y30-K329 HydrophobicContact CD2-CB 4.11Å; Y30-K329 HydrophobicContact CE2-CB 4.03Å; Y30-K329 HydrophobicContact CE2-CD 4.29Å; Y30-E330 HydrophobicContact CD1-CG 3.68Å; Y30-E330 HydrophobicContact CD2-CG 3.83Å; Y30-E330 HydrophobicContact CE1-CG 3.78Å; Y30-E330 WeakPolarHBondContact CE1-OE1 3.41Å; Y30-E330 HydrophobicContact CE2-CG 3.94Å; Y30-E330 HydrophobicContact CG-CG 3.7Å; Y30-F333 HydrophobicContact CD2-CE2 4.27Å; Y30-F333 WeakPolarHBondContact O-CE2 3.44Å |
| 31 | D | 97.8 | Very high | 96.6 | Very high | 1 Ų | 1 | 54.6 Ų | 54.6 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -72.1 | -8.1 | -179.4 | 76.1 | 9.4 | 0 | 0 | 0 | 113.3 | S27 I28 H33 L34 D87 I88 K329 | S27-D31 VanDerWaalsContact C-CG 3.47Å; S27-D31 WeakPolarHBondContact CB-OD2 3.45Å; S27-D31 VanDerWaalsContact O-CG 3.25Å; S27-D31 PolarHBondContact O-N 2.8Å; S27-D31 PolarHBondContact OG-OD2 2.69Å; I28-D31 VanDerWaalsContact CA-OD1 3.22Å; I28-D31 WeakPolarHBondContact CA-OD1 3.35Å; I28-D31 PolarHBondContact N-OD1 2.73Å; D31-H33 PolarHBondContact O-N 2.66Å; D31-L34 HydrophobicContact CB-CD1 4.39Å; D31-L34 VanDerWaalsContact O-CB 3.31Å; D31-L34 WeakPolarHBondContact O-CB 3.41Å; D31-L34 PolarHBondContact O-N 2.96Å; D31-D87 VanDerWaalsContact OD2-CB 3.26Å; D31-D87 WeakPolarHBondContact OD2-CB 3.4Å; D31-I88 HydrophobicContact CB-CG2 4.19Å; D31-I88 WeakPolarHBondContact O-CG2 3.11Å; D31-I88 WeakPolarHBondContact OD1-CB 3.37Å; D31-I88 PolarHBondContact OD1-N 2.95Å; D31-I88 PolarHBondContact OD2-N 2.97Å; D31-K329 HydrophobicContact CB-CD 3.94Å |
| 32 | R | 97.5 | Very high | 96.9 | Very high | 97 Ų | 97 | 50.2 Ų | 50.2 | 37% | 0.366 | 24% | 0.242 | S | C | . | . | G | 310 helix | trans | -51.5 | -26.8 | 169.1 | 71.8 | 176.7 | 66.5 | -172.4 | 1.5 | 112.6 | I28 A29 Y30 L34 W35 W74 | I28-R32 HydrophobicContact CD1-CB 4.4Å; I28-R32 PolarHBondContact O-NE 3.23Å; I28-R32 PolarHBondContact O-NH2 2.63Å; A29-R32 PolarHBondContact O-NE 2.99Å; Y30-R32 PolarHBondContact O-N 3.46Å; Y30-R32 VanDerWaalsContact O-N 3.15Å; R32-L34 PolarHBondContact O-N 3.45Å; R32-W35 WeakPolarHBondContact O-CB 3.15Å; R32-W35 PolarHBondContact O-N 2.99Å; R32-W35 VanDerWaalsContact O-N 3.16Å; R32-W74 HydrophobicContact CB-CH2 4.44Å |
| 33 | H | 94.7 | Very high | 97.3 | Very high | 107 Ų | 107 | 49.2 Ų | 49.2 | 50% | 0.495 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | -63.5 | -16.4 | 175.5 | -67.6 | -61 | 0 | 0 | 0 | 113.7 | Y30 D31 W35 F333 | Y30-H33 PolarHBondContact O-CD2 3.44Å; Y30-H33 PolarHBondContact O-N 2.73Å; D31-H33 PolarHBondContact O-N 2.66Å; H33-W35 VanDerWaalsContact C-N 3.34Å; H33-F333 HydrophobicContact CB-CZ 4.47Å |
| 34 | L | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -88.2 | 3.7 | 177 | -56.1 | 177.4 | 0 | 0 | 0 | 113.2 | D31 R32 E36 V37 D38 I88 D120 W124 K329 F333 | D31-L34 HydrophobicContact CB-CD1 4.39Å; D31-L34 VanDerWaalsContact O-CB 3.31Å; D31-L34 WeakPolarHBondContact O-CB 3.41Å; D31-L34 PolarHBondContact O-N 2.96Å; R32-L34 PolarHBondContact O-N 3.45Å; L34-E36 VanDerWaalsContact C-N 3.26Å; L34-E36 PolarHBondContact O-N 3.16Å; L34-V37 HydrophobicContact CB-CG2 3.94Å; L34-V37 HydrophobicContact CD2-CG2 4.08Å; L34-V37 WeakPolarHBondContact O-CG2 3.47Å; L34-V37 PolarHBondContact O-N 3.13Å; L34-D38 WeakPolarHBondContact O-CB 3.48Å; L34-D38 PolarHBondContact O-N 2.67Å; L34-I88 HydrophobicContact CB-CG2 4.27Å; L34-D120 HydrophobicContact CB-CB 4.49Å; L34-D120 HydrophobicContact CD1-CB 4.36Å; L34-W124 HydrophobicContact CD2-CB 3.57Å; L34-W124 HydrophobicContact CD2-CD2 4.47Å; L34-W124 HydrophobicContact CD2-CG 3.65Å; L34-K329 HydrophobicContact CD1-CD 4.16Å; L34-F333 HydrophobicContact CD1-CZ 4.3Å; L34-F333 HydrophobicContact CD2-CE1 4.09Å; L34-F333 HydrophobicContact CD2-CZ 3.88Å; L34-F333 HydrophobicContact CG-CZ 3.93Å |
| 35 | W | 98.7 | Very high | 97.8 | Very high | 55 Ų | 55 | 33 Ų | 33 | 21% | 0.208 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -55.2 | -41.7 | -174.5 | 75.3 | -99 | 0 | 0 | 0 | 112.9 | R32 H33 V39 A71 W74 A75 I88 | R32-W35 WeakPolarHBondContact O-CB 3.15Å; R32-W35 PolarHBondContact O-N 2.99Å; R32-W35 VanDerWaalsContact O-N 3.16Å; H33-W35 VanDerWaalsContact C-N 3.34Å; W35-V39 VanDerWaalsContact O-CG2 3.32Å; W35-V39 WeakPolarHBondContact O-CG2 3.48Å; W35-V39 PolarHBondContact O-N 3.25Å; W35-A71 HydrophobicContact CZ3-CB 3.89Å; W35-W74 HydrophobicContact CB-CD2 3.92Å; W35-W74 HydrophobicContact CB-CE3 4.5Å; W35-W74 HydrophobicContact CB-CG 4.05Å; W35-W74 HydrophobicContact CB-CZ2 4.4Å; W35-W74 HydrophobicContact CD2-CB 3.4Å; W35-W74 VanDerWaalsContact CD2-CB 3.4Å; W35-W74 HydrophobicContact CD2-CD2 4.17Å; W35-W74 AromaticContact CD2-CG 3.59Å; W35-W74 HydrophobicContact CD2-CG 3.59Å; W35-W74 HydrophobicContact CE3-CB 3.37Å; W35-W74 AromaticContact CE3-CD1 3.73Å; W35-W74 AromaticContact CE3-CG 3.64Å; W35-W74 HydrophobicContact CE3-CG 3.64Å; W35-W74 HydrophobicContact CG-CB 4.06Å; W35-W74 AromaticContact CG-CD2 3.85Å; W35-W74 HydrophobicContact CG-CD2 3.85Å; W35-W74 HydrophobicContact CG-CE3 4.22Å; W35-W74 AromaticContact CG-CG 3.78Å; W35-W74 HydrophobicContact CG-CG 3.78Å; W35-W74 HydrophobicContact CH2-CB 3.93Å; W35-W74 HydrophobicContact CZ2-CB 3.95Å; W35-W74 HydrophobicContact CZ3-CB 3.66Å; W35-W74 HydrophobicContact CZ3-CG 4.39Å; W35-A75 HydrophobicContact CH2-CB 4.24Å; W35-I88 HydrophobicContact CB-CD1 3.53Å; W35-I88 HydrophobicContact CB-CG1 3.94Å |
| 36 | E | 98.5 | Very high | 98 | Very high | 103 Ų | 103 | 31.8 Ų | 31.8 | 48% | 0.481 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -66.5 | -45.9 | -175.6 | -174 | 179.2 | -177.6 | 0 | 0 | 110.6 | L34 Q40 | L34-E36 VanDerWaalsContact C-N 3.26Å; L34-E36 PolarHBondContact O-N 3.16Å; E36-Q40 WeakPolarHBondContact O-CB 3.46Å; E36-Q40 PolarHBondContact O-N 3.18Å |
| 37 | V | 98.8 | Very high | 98.1 | Very high | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.012 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -76.2 | -31.2 | -178.4 | -65.3 | 0 | 0 | 0 | 0 | 112.5 | L34 Q40 G41 D120 L123 W124 | L34-V37 HydrophobicContact CB-CG2 3.94Å; L34-V37 HydrophobicContact CD2-CG2 4.08Å; L34-V37 WeakPolarHBondContact O-CG2 3.47Å; L34-V37 PolarHBondContact O-N 3.13Å; V37-Q40 PolarHBondContact O-N 3.49Å; V37-G41 PolarHBondContact O-N 3.21Å; V37-D120 HydrophobicContact CG2-CB 3.98Å; V37-D120 WeakPolarHBondContact CG2-O 3.1Å; V37-L123 HydrophobicContact CB-CB 3.78Å; V37-L123 HydrophobicContact CB-CD1 4.19Å; V37-L123 HydrophobicContact CG1-CB 3.74Å; V37-W124 HydrophobicContact CG1-CB 4.41Å; V37-W124 HydrophobicContact CG2-CB 4.17Å |
| 38 | D | 98.9 | Very high | 98.2 | Very high | 2 Ų | 2 | 33.8 Ų | 33.8 | 1% | 0.011 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -66.1 | -42.5 | 172.5 | 174.5 | 57.9 | 0 | 0 | 0 | 111.3 | L34 G41 S42 H89 N92 Q116 D120 | L34-D38 WeakPolarHBondContact O-CB 3.48Å; L34-D38 PolarHBondContact O-N 2.67Å; D38-G41 PolarHBondContact O-N 2.98Å; D38-S42 WeakPolarHBondContact O-CB 3.42Å; D38-S42 PolarHBondContact O-N 2.87Å; D38-S42 PolarHBondContact O-OG 3.01Å; D38-H89 IonicContact OD1-CD2 2.87Å; D38-N92 WeakPolarHBondContact OD2-CB 3.39Å; D38-N92 PolarHBondContact OD2-ND2 3.16Å; D38-Q116 PolarHBondContact OD1-NE2 3.42Å; D38-D120 WeakPolarHBondContact CA-OD1 3.46Å |
| 39 | V | 98.8 | Very high | 98.2 | Very high | 5 Ų | 5 | 32.8 Ų | 32.8 | 3% | 0.03 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.7 | -45.2 | 173.2 | 172.9 | 0 | 0 | 0 | 0 | 110.3 | W35 G41 S42 K43 L67 V70 A71 | W35-V39 VanDerWaalsContact O-CG2 3.32Å; W35-V39 WeakPolarHBondContact O-CG2 3.48Å; W35-V39 PolarHBondContact O-N 3.25Å; V39-G41 PolarHBondContact O-N 3.19Å; V39-S42 PolarHBondContact O-N 3.35Å; V39-K43 HydrophobicContact CG1-CD 4.29Å; V39-K43 WeakPolarHBondContact O-CG 3.42Å; V39-K43 PolarHBondContact O-N 2.9Å; V39-L67 HydrophobicContact CG1-CB 4.07Å; V39-L67 HydrophobicContact CG1-CD2 4.4Å; V39-V70 HydrophobicContact CG2-CG1 4.19Å; V39-A71 HydrophobicContact CG1-CB 4.09Å |
| 40 | Q | 98.7 | Very high | 98.3 | Very high | 73 Ų | 73 | 32.5 Ų | 32.5 | 34% | 0.341 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -58.3 | -49.4 | 176.2 | -173.6 | -175.4 | 18.3 | 0 | 0 | 112 | E36 V37 S42 K43 A44 L220 | E36-Q40 WeakPolarHBondContact O-CB 3.46Å; E36-Q40 PolarHBondContact O-N 3.18Å; V37-Q40 PolarHBondContact O-N 3.49Å; Q40-S42 VanDerWaalsContact C-N 3.3Å; Q40-S42 PolarHBondContact O-N 3.38Å; Q40-K43 PolarHBondContact O-N 3.31Å; Q40-A44 PolarHBondContact O-N 3.38Å; Q40-A44 VanDerWaalsContact O-N 3.14Å; Q40-L220 HydrophobicContact CG-CD2 3.88Å |
| 41 | G | 98.8 | Very high | 98.4 | Very high | 2 Ų | 2 | 36.4 Ų | 36.4 | 2% | 0.021 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -59.4 | -40.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | V37 D38 V39 A44 Y45 | V37-G41 PolarHBondContact O-N 3.21Å; D38-G41 PolarHBondContact O-N 2.98Å; V39-G41 PolarHBondContact O-N 3.19Å; G41-A44 PolarHBondContact O-N 3.31Å; G41-Y45 WeakPolarHBondContact O-CB 3.42Å; G41-Y45 PolarHBondContact O-N 3.34Å |
| 42 | S | 98.8 | Very high | 98.4 | Very high | 4 Ų | 4 | 38.1 Ų | 38.1 | 3% | 0.028 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -67.5 | -36.6 | 176.6 | -71.1 | 0 | 0 | 0 | 0 | 113.3 | D38 V39 Q40 Y45 S46 R111 | D38-S42 WeakPolarHBondContact O-CB 3.42Å; D38-S42 PolarHBondContact O-N 2.87Å; D38-S42 PolarHBondContact O-OG 3.01Å; V39-S42 PolarHBondContact O-N 3.35Å; Q40-S42 VanDerWaalsContact C-N 3.3Å; Q40-S42 PolarHBondContact O-N 3.38Å; S42-Y45 PolarHBondContact O-N 2.76Å; S42-S46 PolarHBondContact O-N 2.85Å; S42-R111 PolarHBondContact OG-NH1 3.32Å; S42-R111 PolarHBondContact OG-NH2 3.06Å |
| 43 | K | 98.9 | Very high | 98.5 | Very high | 50 Ų | 50 | 36.6 Ų | 36.6 | 22% | 0.217 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.2 | -44.6 | 172.9 | -70.8 | 175.5 | 70 | 170.8 | 0 | 111.5 | V39 Q40 S46 R47 L64 L67 D68 | V39-K43 HydrophobicContact CG1-CD 4.29Å; V39-K43 WeakPolarHBondContact O-CG 3.42Å; V39-K43 PolarHBondContact O-N 2.9Å; Q40-K43 PolarHBondContact O-N 3.31Å; K43-S46 WeakPolarHBondContact O-CB 3.27Å; K43-S46 PolarHBondContact O-N 3.21Å; K43-R47 PolarHBondContact O-N 2.95Å; K43-L64 HydrophobicContact CB-CD2 3.65Å; K43-L64 HydrophobicContact CG-CD2 3.79Å; K43-L67 HydrophobicContact CB-CD1 4.45Å; K43-L67 HydrophobicContact CD-CB 4.48Å; K43-L67 HydrophobicContact CG-CB 3.98Å; K43-L67 HydrophobicContact CG-CD1 3.69Å; K43-L67 HydrophobicContact CG-CG 4.49Å; K43-D68 WeakPolarHBondContact CE-OD1 3.4Å; K43-D68 IonicContact NZ-OD1 2.73Å; K43-D68 PolarHBondContact NZ-OD1 3.49Å; K43-D68 IonicContact NZ-OD2 2.63Å |
| 44 | A | 98.8 | Very high | 98.6 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.008 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.2 | -43.1 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q40 G41 S46 R47 G48 L216 E219 L220 | Q40-A44 PolarHBondContact O-N 3.38Å; Q40-A44 VanDerWaalsContact O-N 3.14Å; G41-A44 PolarHBondContact O-N 3.31Å; A44-S46 VanDerWaalsContact C-N 3.34Å; A44-S46 PolarHBondContact O-N 3.25Å; A44-R47 PolarHBondContact O-N 2.93Å; A44-G48 PolarHBondContact O-N 3.24Å; A44-L216 WeakPolarHBondContact O-CD2 3.23Å; A44-E219 HydrophobicContact CB-CB 3.74Å; A44-L220 HydrophobicContact CB-CD1 4.01Å; A44-L220 HydrophobicContact CB-CD2 3.55Å; A44-L220 HydrophobicContact CB-CG 3.54Å |
| 45 | Y | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63.8 | -38.5 | 178.5 | -162.6 | -106.5 | 0 | 0 | 0 | 112.5 | G41 S42 R47 G48 L49 L107 T109 G110 R111 L199 N207 V211 L216 | G41-Y45 WeakPolarHBondContact O-CB 3.42Å; G41-Y45 PolarHBondContact O-N 3.34Å; S42-Y45 PolarHBondContact O-N 2.76Å; Y45-R47 VanDerWaalsContact C-N 3.31Å; Y45-R47 PolarHBondContact O-N 3.41Å; Y45-G48 WeakPolarHBondContact O-CA 3.5Å; Y45-G48 PolarHBondContact O-N 2.84Å; Y45-L49 HydrophobicContact CD1-CD1 3.9Å; Y45-L49 HydrophobicContact CD1-CD2 4.47Å; Y45-L49 HydrophobicContact CD1-CG 4Å; Y45-L49 HydrophobicContact CE1-CD1 3.76Å; Y45-L49 HydrophobicContact CE1-CD2 3.72Å; Y45-L49 HydrophobicContact CE1-CG 3.74Å; Y45-L49 WeakPolarHBondContact O-CG 3.32Å; Y45-L49 PolarHBondContact O-N 2.99Å; Y45-L107 HydrophobicContact CD1-CD1 4.37Å; Y45-L107 VanDerWaalsContact CD1-O 3.23Å; Y45-L107 WeakPolarHBondContact CD1-O 3.17Å; Y45-L107 VanDerWaalsContact CE1-O 3.28Å; Y45-L107 WeakPolarHBondContact CE1-O 3.47Å; Y45-T109 WeakPolarHBondContact CE1-O 3.17Å; Y45-T109 PolarHBondContact OH-O 3.35Å; Y45-G110 PolarHBondContact OH-O 2.94Å; Y45-R111 HydrophobicContact CD1-CB 4.32Å; Y45-R111 HydrophobicContact CE1-CB 3.65Å; Y45-R111 HydrophobicContact CE1-CG 4.31Å; Y45-R111 HydrophobicContact CE2-CB 4.32Å; Y45-R111 HydrophobicContact CE2-CG 4.45Å; Y45-R111 PolarHBondContact OH-N 3.45Å; Y45-L199 HydrophobicContact CD2-CD1 4.22Å; Y45-L199 HydrophobicContact CD2-CD2 4.08Å; Y45-L199 HydrophobicContact CD2-CG 4.13Å; Y45-N207 PolarHBondContact OH-ND2 3.24Å; Y45-N207 VanDerWaalsContact OH-ND2 3.13Å; Y45-V211 HydrophobicContact CE2-CG2 4.38Å; Y45-L216 HydrophobicContact CD2-CD1 4.29Å; Y45-L216 HydrophobicContact CD2-CD2 4.29Å |
| 46 | S | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -55.9 | -43.8 | 173.2 | -173.2 | 0 | 0 | 0 | 0 | 112.2 | S42 K43 A44 L49 E50 M60 | S42-S46 PolarHBondContact O-N 2.85Å; K43-S46 WeakPolarHBondContact O-CB 3.27Å; K43-S46 PolarHBondContact O-N 3.21Å; A44-S46 VanDerWaalsContact C-N 3.34Å; A44-S46 PolarHBondContact O-N 3.25Å; S46-L49 PolarHBondContact O-N 3.34Å; S46-E50 PolarHBondContact O-N 3.32Å; S46-M60 WeakPolarHBondContact OG-CG 3.4Å |
| 47 | R | 98.7 | Very high | 98.6 | Very high | 77 Ų | 77 | 35.7 Ų | 35.7 | 29% | 0.291 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -66.3 | -37.2 | 174.1 | -67.7 | 179.2 | -176.9 | 110.1 | 7.8 | 112.7 | K43 A44 Y45 L49 E50 K51 M60 E219 | K43-R47 PolarHBondContact O-N 2.95Å; A44-R47 PolarHBondContact O-N 2.93Å; Y45-R47 VanDerWaalsContact C-N 3.31Å; Y45-R47 PolarHBondContact O-N 3.41Å; R47-L49 VanDerWaalsContact C-N 3.33Å; R47-L49 PolarHBondContact O-N 2.67Å; R47-E50 PolarHBondContact O-N 2.92Å; R47-K51 PolarHBondContact O-N 2.88Å; R47-M60 HydrophobicContact CB-SD 4.3Å; R47-M60 HydrophobicContact CG-SD 3.75Å; R47-E219 WeakPolarHBondContact CD-OE1 3.24Å; R47-E219 WeakPolarHBondContact CD-OE2 3.29Å; R47-E219 IonicContact CZ-OE2 2.69Å; R47-E219 IonicContact NE-OE2 3.44Å; R47-E219 IonicContact NH1-OE2 2.73Å; R47-E219 PolarHBondContact NH1-OE2 2.93Å |
| 48 | G | 98.6 | Very high | 98.6 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59 | -43.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | A44 Y45 A52 | A44-G48 PolarHBondContact O-N 3.24Å; Y45-G48 WeakPolarHBondContact O-CA 3.5Å; Y45-G48 PolarHBondContact O-N 2.84Å; G48-A52 WeakPolarHBondContact O-CB 3.32Å; G48-A52 PolarHBondContact O-N 3.27Å; G48-A52 VanDerWaalsContact O-N 3.11Å |
| 49 | L | 98.7 | Very high | 98.6 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -67.8 | -39.9 | 177.3 | -66.9 | 177.2 | 0 | 0 | 0 | 112.6 | Y45 S46 R47 A52 G53 L54 L55 T109 V211 | Y45-L49 HydrophobicContact CD1-CD1 3.9Å; Y45-L49 HydrophobicContact CD1-CD2 4.47Å; Y45-L49 HydrophobicContact CD1-CG 4Å; Y45-L49 HydrophobicContact CE1-CD1 3.76Å; Y45-L49 HydrophobicContact CE1-CD2 3.72Å; Y45-L49 HydrophobicContact CE1-CG 3.74Å; Y45-L49 WeakPolarHBondContact O-CG 3.32Å; Y45-L49 PolarHBondContact O-N 2.99Å; S46-L49 PolarHBondContact O-N 3.34Å; R47-L49 VanDerWaalsContact C-N 3.33Å; R47-L49 PolarHBondContact O-N 2.67Å; L49-A52 PolarHBondContact O-N 2.91Å; L49-G53 PolarHBondContact O-N 3.12Å; L49-L54 HydrophobicContact CB-CB 4.26Å; L49-L54 HydrophobicContact CD2-CB 4.27Å; L49-L54 HydrophobicContact CD2-CD1 3.56Å; L49-L54 WeakPolarHBondContact O-CB 3.38Å; L49-L54 PolarHBondContact O-N 3.3Å; L49-L55 HydrophobicContact CB-CD1 3.69Å; L49-L55 HydrophobicContact CB-CG 3.8Å; L49-L55 HydrophobicContact CD1-CD1 4.02Å; L49-L55 HydrophobicContact CD1-CG 4.36Å; L49-L55 PolarHBondContact O-N 2.8Å; L49-T109 WeakPolarHBondContact CD2-O 3.36Å; L49-V211 HydrophobicContact CD2-CG1 4.07Å |
| 50 | E | 98.6 | Very high | 98.6 | Very high | 65 Ų | 65 | 41.4 Ų | 41.4 | 30% | 0.304 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -62.4 | -48.6 | 176.1 | -170.7 | -84.2 | 168.4 | 0 | 0 | 111.3 | S46 R47 A52 G53 L55 M60 | S46-E50 PolarHBondContact O-N 3.32Å; R47-E50 PolarHBondContact O-N 2.92Å; E50-A52 PolarHBondContact O-N 2.69Å; E50-G53 WeakPolarHBondContact O-CA 3.48Å; E50-G53 PolarHBondContact O-N 3.38Å; E50-L55 HydrophobicContact CB-CB 4.28Å; E50-M60 HydrophobicContact CB-CB 3.96Å; E50-M60 HydrophobicContact CB-CG 3.98Å; E50-M60 HydrophobicContact CB-SD 3.58Å; E50-M60 VanDerWaalsContact CB-SD 3.58Å; E50-M60 HydrophobicContact CG-CB 3.98Å; E50-M60 HydrophobicContact CG-CG 4.33Å; E50-M60 HydrophobicContact CG-SD 3.73Å |
| 51 | K | 98 | Very high | 98.6 | Very high | 120 Ų | 120 | 41.2 Ų | 41.2 | 52% | 0.522 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -60.8 | -32.8 | 176.5 | -175 | 175.3 | 179.2 | -174.7 | 0 | 112.5 | R47 G53 D212 L215 | R47-K51 PolarHBondContact O-N 2.88Å; K51-G53 PolarHBondContact O-N 3.46Å; K51-D212 HydrophobicContact CD-CB 4.32Å; K51-D212 WeakPolarHBondContact CE-OD2 3.4Å; K51-D212 IonicContact NZ-OD2 3.57Å; K51-D212 PolarHBondContact NZ-OD2 3.32Å; K51-L215 HydrophobicContact CB-CD2 3.84Å; K51-L215 HydrophobicContact CD-CB 4.37Å; K51-L215 HydrophobicContact CD-CD2 3.53Å; K51-L215 HydrophobicContact CD-CG 4.42Å; K51-L215 HydrophobicContact CG-CD2 4.31Å |
| 52 | A | 98.2 | Very high | 98.5 | Very high | 37 Ų | 37 | 45.1 Ų | 45.1 | 31% | 0.306 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -0.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | G48 L49 E50 L54 V211 | G48-A52 WeakPolarHBondContact O-CB 3.32Å; G48-A52 PolarHBondContact O-N 3.27Å; G48-A52 VanDerWaalsContact O-N 3.11Å; L49-A52 PolarHBondContact O-N 2.91Å; E50-A52 PolarHBondContact O-N 2.69Å; A52-L54 VanDerWaalsContact C-N 3.32Å; A52-L54 HydrophobicContact CB-CD1 4.06Å; A52-L54 HydrophobicContact CB-CG 4.25Å; A52-L54 PolarHBondContact O-N 3.19Å; A52-V211 HydrophobicContact CB-CG1 4.16Å |
| 53 | G | 98.2 | Very high | 98.5 | Very high | 65 Ų | 65 | 45 Ų | 45 | 67% | 0.67 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 75 | 17.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | L49 E50 K51 | L49-G53 PolarHBondContact O-N 3.12Å; E50-G53 WeakPolarHBondContact O-CA 3.48Å; E50-G53 PolarHBondContact O-N 3.38Å; K51-G53 PolarHBondContact O-N 3.46Å |
| 54 | L | 98.3 | Very high | 98.5 | Very high | 51 Ų | 51 | 43.3 Ų | 43.3 | 27% | 0.267 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -91.9 | -20 | -179.9 | -61.8 | 167.1 | 0 | 0 | 0 | 112.5 | L49 A52 K106 T109 L209 V211 | L49-L54 HydrophobicContact CB-CB 4.26Å; L49-L54 HydrophobicContact CD2-CB 4.27Å; L49-L54 HydrophobicContact CD2-CD1 3.56Å; L49-L54 WeakPolarHBondContact O-CB 3.38Å; L49-L54 PolarHBondContact O-N 3.3Å; A52-L54 VanDerWaalsContact C-N 3.32Å; A52-L54 HydrophobicContact CB-CD1 4.06Å; A52-L54 HydrophobicContact CB-CG 4.25Å; A52-L54 PolarHBondContact O-N 3.19Å; L54-K106 VanDerWaalsContact O-CE 3.32Å; L54-K106 WeakPolarHBondContact O-CE 3.35Å; L54-K106 PolarHBondContact O-NZ 3.02Å; L54-T109 HydrophobicContact CD1-CG2 4.36Å; L54-L209 HydrophobicContact CD1-CB 3.79Å; L54-L209 HydrophobicContact CD1-CD1 3.73Å; L54-L209 HydrophobicContact CD1-CG 4.39Å; L54-L209 HydrophobicContact CD2-CD1 4.28Å; L54-V211 HydrophobicContact CD1-CG1 4.45Å |
| 55 | L | 98.3 | Very high | 98.5 | Very high | 8 Ų | 8 | 48.8 Ų | 48.8 | 4% | 0.042 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -123.2 | 144 | 169.7 | -61.9 | 176 | 0 | 0 | 0 | 109.3 | L49 E50 E59 M60 I63 K106 | L49-L55 HydrophobicContact CB-CD1 3.69Å; L49-L55 HydrophobicContact CB-CG 3.8Å; L49-L55 HydrophobicContact CD1-CD1 4.02Å; L49-L55 HydrophobicContact CD1-CG 4.36Å; L49-L55 PolarHBondContact O-N 2.8Å; E50-L55 HydrophobicContact CB-CB 4.28Å; L55-E59 HydrophobicContact CB-CB 4.32Å; L55-E59 HydrophobicContact CD2-CB 4.2Å; L55-M60 HydrophobicContact CD1-CB 4.5Å; L55-I63 HydrophobicContact CD1-CD1 3.78Å; L55-I63 HydrophobicContact CD2-CD1 4.12Å; L55-K106 HydrophobicContact CD2-CB 3.66Å; L55-K106 HydrophobicContact CD2-CD 3.9Å; L55-K106 HydrophobicContact CD2-CG 4.41Å |
| 56 | T | 98.5 | Very high | 98.5 | Very high | 80 Ų | 80 | 48.9 Ų | 48.9 | 49% | 0.491 | 27% | 0.268 | S | S | . | . | trans | -73.5 | 159.4 | 161.5 | 64.7 | 0 | 0 | 0 | 0 | 110.1 | A58 E59 M60 | T56-A58 PolarHBondContact O-N 2.68Å; T56-E59 PolarHBondContact N-OE2 2.82Å; T56-E59 PolarHBondContact O-N 2.86Å; T56-E59 VanDerWaalsContact O-N 3.08Å; T56-E59 VanDerWaalsContact OG1-CG 3.27Å; T56-E59 WeakPolarHBondContact OG1-CG 3.26Å; T56-E59 PolarHBondContact OG1-N 2.83Å; T56-E59 PolarHBondContact OG1-OE2 3.39Å; T56-M60 PolarHBondContact O-N 2.74Å | ||
| 57 | K | 98.5 | Very high | 98.5 | Very high | 107 Ų | 107 | 49 Ų | 49 | 47% | 0.465 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -52.6 | -40.4 | 174.2 | -175.1 | 63.8 | 175.8 | 68.2 | 0 | 112.9 | M60 D61 | K57-M60 HydrophobicContact CD-CE 3.67Å; K57-M60 PolarHBondContact O-N 3.21Å; K57-D61 IonicContact NZ-OD1 2.73Å; K57-D61 PolarHBondContact NZ-OD1 3.26Å; K57-D61 IonicContact NZ-OD2 2.66Å; K57-D61 PolarHBondContact NZ-OD2 3.24Å; K57-D61 WeakPolarHBondContact O-CB 3.22Å; K57-D61 PolarHBondContact O-N 3.07Å |
| 58 | A | 98.4 | Very high | 98.5 | Very high | 71 Ų | 71 | 48.9 Ų | 48.9 | 59% | 0.587 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -67.3 | -40.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | T56 D61 Q62 | T56-A58 PolarHBondContact O-N 2.68Å; A58-D61 PolarHBondContact O-N 2.95Å; A58-Q62 WeakPolarHBondContact O-CB 3.42Å; A58-Q62 PolarHBondContact O-N 3.32Å |
| 59 | E | 98.6 | Very high | 98.5 | Very high | 45 Ų | 45 | 53.4 Ų | 53.4 | 21% | 0.21 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -66.9 | -40.9 | 175.6 | -71.7 | 172.1 | 129.6 | 0 | 0 | 111.7 | L55 T56 Q62 I63 T103 K106 | L55-E59 HydrophobicContact CB-CB 4.32Å; L55-E59 HydrophobicContact CD2-CB 4.2Å; T56-E59 PolarHBondContact N-OE2 2.82Å; T56-E59 PolarHBondContact O-N 2.86Å; T56-E59 VanDerWaalsContact O-N 3.08Å; T56-E59 VanDerWaalsContact OG1-CG 3.27Å; T56-E59 WeakPolarHBondContact OG1-CG 3.26Å; T56-E59 PolarHBondContact OG1-N 2.83Å; T56-E59 PolarHBondContact OG1-OE2 3.39Å; E59-Q62 PolarHBondContact O-N 3.07Å; E59-I63 WeakPolarHBondContact O-CG1 3.46Å; E59-I63 PolarHBondContact O-N 3.05Å; E59-T103 HydrophobicContact CB-CG2 3.7Å; E59-T103 HydrophobicContact CG-CG2 3.84Å; E59-K106 WeakPolarHBondContact OE1-CD 3.36Å; E59-K106 IonicContact OE1-NZ 2.8Å; E59-K106 PolarHBondContact OE1-NZ 3.4Å; E59-K106 IonicContact OE2-NZ 2.65Å; E59-K106 PolarHBondContact OE2-NZ 2.87Å |
| 60 | M | 98.6 | Very high | 98.5 | Very high | 13 Ų | 13 | 53.3 Ų | 53.3 | 6% | 0.064 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.6 | -48.7 | 174.2 | -175.7 | -161.4 | 73.4 | 0 | 0 | 110.8 | S46 R47 E50 L55 T56 K57 Q62 I63 L64 | S46-M60 WeakPolarHBondContact OG-CG 3.4Å; R47-M60 HydrophobicContact CB-SD 4.3Å; R47-M60 HydrophobicContact CG-SD 3.75Å; E50-M60 HydrophobicContact CB-CB 3.96Å; E50-M60 HydrophobicContact CB-CG 3.98Å; E50-M60 HydrophobicContact CB-SD 3.58Å; E50-M60 VanDerWaalsContact CB-SD 3.58Å; E50-M60 HydrophobicContact CG-CB 3.98Å; E50-M60 HydrophobicContact CG-CG 4.33Å; E50-M60 HydrophobicContact CG-SD 3.73Å; L55-M60 HydrophobicContact CD1-CB 4.5Å; T56-M60 PolarHBondContact O-N 2.74Å; K57-M60 HydrophobicContact CD-CE 3.67Å; K57-M60 PolarHBondContact O-N 3.21Å; M60-Q62 VanDerWaalsContact C-N 3.31Å; M60-Q62 PolarHBondContact O-N 3.08Å; M60-I63 PolarHBondContact O-N 3.06Å; M60-L64 HydrophobicContact CE-CD1 3.94Å; M60-L64 HydrophobicContact CG-CD1 4.06Å; M60-L64 HydrophobicContact CG-CG 4.36Å; M60-L64 WeakPolarHBondContact O-CB 3.39Å; M60-L64 VanDerWaalsContact O-CG 3.29Å; M60-L64 WeakPolarHBondContact O-CG 3.3Å; M60-L64 PolarHBondContact O-N 3.18Å; M60-L64 HydrophobicContact SD-CD1 4.37Å |
| 61 | D | 98.6 | Very high | 98.5 | Very high | 69 Ų | 69 | 51.3 Ų | 51.3 | 37% | 0.369 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62.5 | -38.2 | 178.8 | -69.3 | -17.9 | 0 | 0 | 0 | 111.8 | K57 A58 L64 H65 | K57-D61 IonicContact NZ-OD1 2.73Å; K57-D61 PolarHBondContact NZ-OD1 3.26Å; K57-D61 IonicContact NZ-OD2 2.66Å; K57-D61 PolarHBondContact NZ-OD2 3.24Å; K57-D61 WeakPolarHBondContact O-CB 3.22Å; K57-D61 PolarHBondContact O-N 3.07Å; A58-D61 PolarHBondContact O-N 2.95Å; D61-L64 PolarHBondContact O-N 2.93Å; D61-H65 WeakPolarHBondContact O-CB 3.45Å; D61-H65 PolarHBondContact O-N 3.39Å |
| 62 | Q | 98.5 | Very high | 98.6 | Very high | 84 Ų | 84 | 50.8 Ų | 50.8 | 39% | 0.393 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62.5 | -44.7 | 174.6 | -170.7 | 179.9 | 30 | 0 | 0 | 111.7 | A58 E59 M60 G66 I100 T103 | A58-Q62 WeakPolarHBondContact O-CB 3.42Å; A58-Q62 PolarHBondContact O-N 3.32Å; E59-Q62 PolarHBondContact O-N 3.07Å; M60-Q62 VanDerWaalsContact C-N 3.31Å; M60-Q62 PolarHBondContact O-N 3.08Å; Q62-G66 PolarHBondContact O-N 3.14Å; Q62-I100 HydrophobicContact CG-CB 4.06Å; Q62-I100 HydrophobicContact CG-CD1 4.49Å; Q62-I100 HydrophobicContact CG-CG2 4.2Å; Q62-T103 PolarHBondContact OE1-OG1 2.97Å |
| 63 | I | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.1 | -47 | 175.8 | -72.3 | 167.2 | 0 | 0 | 0 | 110.9 | L55 E59 M60 H65 G66 L67 L96 I100 T103 L107 | L55-I63 HydrophobicContact CD1-CD1 3.78Å; L55-I63 HydrophobicContact CD2-CD1 4.12Å; E59-I63 WeakPolarHBondContact O-CG1 3.46Å; E59-I63 PolarHBondContact O-N 3.05Å; M60-I63 PolarHBondContact O-N 3.06Å; I63-H65 PolarHBondContact O-N 3.12Å; I63-G66 PolarHBondContact O-N 3.04Å; I63-L67 HydrophobicContact CG2-CD1 3.79Å; I63-L67 HydrophobicContact CG2-CG 4.27Å; I63-L67 WeakPolarHBondContact O-CB 3.45Å; I63-L67 WeakPolarHBondContact O-CG 3.05Å; I63-L67 PolarHBondContact O-N 3.49Å; I63-L96 HydrophobicContact CG2-CD2 4.4Å; I63-I100 HydrophobicContact CB-CD1 4.33Å; I63-I100 HydrophobicContact CG1-CD1 3.69Å; I63-T103 HydrophobicContact CD1-CG2 4.03Å; I63-T103 HydrophobicContact CG1-CG2 4Å; I63-L107 HydrophobicContact CD1-CB 4.39Å; I63-L107 HydrophobicContact CG2-CD1 4.14Å; I63-L107 HydrophobicContact CG2-CD2 4.22Å |
| 64 | L | 98.8 | Very high | 98.6 | Very high | 16 Ų | 16 | 49 Ų | 49 | 8% | 0.084 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.9 | -47.1 | -179.4 | -71.3 | 176 | 0 | 0 | 0 | 111.3 | K43 M60 D61 G66 L67 D68 | K43-L64 HydrophobicContact CB-CD2 3.65Å; K43-L64 HydrophobicContact CG-CD2 3.79Å; M60-L64 HydrophobicContact CE-CD1 3.94Å; M60-L64 HydrophobicContact CG-CD1 4.06Å; M60-L64 HydrophobicContact CG-CG 4.36Å; M60-L64 WeakPolarHBondContact O-CB 3.39Å; M60-L64 VanDerWaalsContact O-CG 3.29Å; M60-L64 WeakPolarHBondContact O-CG 3.3Å; M60-L64 PolarHBondContact O-N 3.18Å; M60-L64 HydrophobicContact SD-CD1 4.37Å; D61-L64 PolarHBondContact O-N 2.93Å; L64-G66 VanDerWaalsContact C-N 3.32Å; L64-G66 PolarHBondContact O-N 3.39Å; L64-L67 PolarHBondContact O-N 3.44Å; L64-D68 PolarHBondContact O-N 3.21Å |
| 65 | H | 98.6 | Very high | 98.6 | Very high | 115 Ų | 115 | 50.1 Ų | 50.1 | 53% | 0.532 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -65 | -36.8 | 176.8 | -168.5 | -42.1 | 0 | 0 | 0 | 111.8 | D61 I63 D68 K69 | D61-H65 WeakPolarHBondContact O-CB 3.45Å; D61-H65 PolarHBondContact O-N 3.39Å; I63-H65 PolarHBondContact O-N 3.12Å; H65-D68 PolarHBondContact O-N 3.4Å; H65-K69 WeakPolarHBondContact CE1-CE 3.5Å; H65-K69 PolarHBondContact O-N 2.92Å |
| 66 | G | 98.7 | Very high | 98.6 | Very high | 2 Ų | 2 | 55.5 Ų | 55.5 | 2% | 0.021 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.7 | -46 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | Q62 I63 L64 D68 K69 V70 L96 | Q62-G66 PolarHBondContact O-N 3.14Å; I63-G66 PolarHBondContact O-N 3.04Å; L64-G66 VanDerWaalsContact C-N 3.32Å; L64-G66 PolarHBondContact O-N 3.39Å; G66-D68 VanDerWaalsContact C-N 3.34Å; G66-D68 PolarHBondContact O-N 2.96Å; G66-K69 WeakPolarHBondContact O-CB 3.3Å; G66-K69 PolarHBondContact O-N 3.34Å; G66-V70 WeakPolarHBondContact O-CG2 3.45Å; G66-V70 PolarHBondContact O-N 3.09Å; G66-V70 VanDerWaalsContact O-N 3.08Å; G66-L96 VanDerWaalsContact C-CD1 3.49Å |
| 67 | L | 98.8 | Very high | 98.5 | Very high | 3 Ų | 3 | 54.9 Ų | 54.9 | 2% | 0.016 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.7 | -37.1 | 177.7 | -75.1 | 173.1 | 0 | 0 | 0 | 112.5 | V39 K43 I63 L64 K69 V70 A71 L96 L107 | V39-L67 HydrophobicContact CG1-CB 4.07Å; V39-L67 HydrophobicContact CG1-CD2 4.4Å; K43-L67 HydrophobicContact CB-CD1 4.45Å; K43-L67 HydrophobicContact CD-CB 4.48Å; K43-L67 HydrophobicContact CG-CB 3.98Å; K43-L67 HydrophobicContact CG-CD1 3.69Å; K43-L67 HydrophobicContact CG-CG 4.49Å; I63-L67 HydrophobicContact CG2-CD1 3.79Å; I63-L67 HydrophobicContact CG2-CG 4.27Å; I63-L67 WeakPolarHBondContact O-CB 3.45Å; I63-L67 WeakPolarHBondContact O-CG 3.05Å; I63-L67 PolarHBondContact O-N 3.49Å; L64-L67 PolarHBondContact O-N 3.44Å; L67-K69 VanDerWaalsContact C-N 3.33Å; L67-K69 PolarHBondContact O-N 3.31Å; L67-V70 PolarHBondContact O-N 2.77Å; L67-A71 PolarHBondContact O-N 3.14Å; L67-L96 HydrophobicContact CD2-CD1 4.13Å; L67-L96 HydrophobicContact CD2-CD2 3.99Å; L67-L96 HydrophobicContact CG-CD1 3.99Å; L67-L96 HydrophobicContact CG-CD2 4.24Å; L67-L107 HydrophobicContact CD1-CD2 4.34Å |
| 68 | D | 98.8 | Very high | 98.5 | Very high | 74 Ų | 74 | 53.2 Ų | 53.2 | 40% | 0.396 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63.1 | -38.6 | 175 | -73.1 | -23.9 | 0 | 0 | 0 | 112.2 | K43 L64 H65 G66 A71 E72 | K43-D68 WeakPolarHBondContact CE-OD1 3.4Å; K43-D68 IonicContact NZ-OD1 2.73Å; K43-D68 PolarHBondContact NZ-OD1 3.49Å; K43-D68 IonicContact NZ-OD2 2.63Å; L64-D68 PolarHBondContact O-N 3.21Å; H65-D68 PolarHBondContact O-N 3.4Å; G66-D68 VanDerWaalsContact C-N 3.34Å; G66-D68 PolarHBondContact O-N 2.96Å; D68-A71 PolarHBondContact O-N 3.14Å; D68-E72 PolarHBondContact O-N 3.45Å |
| 69 | K | 98.7 | Very high | 98.5 | Very high | 95 Ų | 95 | 50.6 Ų | 50.6 | 41% | 0.413 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -66.1 | -39.8 | 172.8 | -70.3 | -177.6 | -179.8 | -179.5 | 0 | 112.3 | H65 G66 L67 A71 E72 E73 L99 | H65-K69 WeakPolarHBondContact CE1-CE 3.5Å; H65-K69 PolarHBondContact O-N 2.92Å; G66-K69 WeakPolarHBondContact O-CB 3.3Å; G66-K69 PolarHBondContact O-N 3.34Å; L67-K69 VanDerWaalsContact C-N 3.33Å; L67-K69 PolarHBondContact O-N 3.31Å; K69-A71 VanDerWaalsContact C-N 3.33Å; K69-A71 PolarHBondContact O-N 3.24Å; K69-E72 PolarHBondContact O-N 3.18Å; K69-E73 WeakPolarHBondContact O-CG 3.49Å; K69-E73 PolarHBondContact O-N 3.23Å; K69-L99 HydrophobicContact CB-CD1 3.9Å |
| 70 | V | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.8 | -44.7 | 175.2 | 175.1 | 0 | 0 | 0 | 0 | 110.6 | V39 G66 L67 E73 W74 F79 R95 L96 L99 | V39-V70 HydrophobicContact CG2-CG1 4.19Å; G66-V70 WeakPolarHBondContact O-CG2 3.45Å; G66-V70 PolarHBondContact O-N 3.09Å; G66-V70 VanDerWaalsContact O-N 3.08Å; L67-V70 PolarHBondContact O-N 2.77Å; V70-E73 PolarHBondContact O-N 3.26Å; V70-W74 PolarHBondContact O-N 3.02Å; V70-W74 VanDerWaalsContact O-N 3.13Å; V70-F79 HydrophobicContact CG1-CD2 4.41Å; V70-F79 HydrophobicContact CG1-CE2 4.09Å; V70-R95 HydrophobicContact CG2-CB 4.17Å; V70-R95 HydrophobicContact CG2-CG 3.93Å; V70-L96 HydrophobicContact CG2-CB 4.48Å; V70-L99 HydrophobicContact CG2-CD1 3.7Å |
| 71 | A | 98.7 | Very high | 98.3 | Very high | 23 Ų | 23 | 58.8 Ų | 58.8 | 19% | 0.19 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.4 | -41.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | W35 V39 L67 D68 K69 E73 W74 A75 | W35-A71 HydrophobicContact CZ3-CB 3.89Å; V39-A71 HydrophobicContact CG1-CB 4.09Å; L67-A71 PolarHBondContact O-N 3.14Å; D68-A71 PolarHBondContact O-N 3.14Å; K69-A71 VanDerWaalsContact C-N 3.33Å; K69-A71 PolarHBondContact O-N 3.24Å; A71-E73 VanDerWaalsContact C-N 3.33Å; A71-E73 PolarHBondContact O-N 3.29Å; A71-W74 PolarHBondContact O-N 2.98Å; A71-A75 WeakPolarHBondContact O-CB 3.36Å; A71-A75 PolarHBondContact O-N 3.28Å |
| 72 | E | 98.7 | Very high | 98 | Very high | 108 Ų | 108 | 58.6 Ų | 58.6 | 51% | 0.505 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -60 | -43.3 | 175.6 | -176.7 | 176.9 | -152.5 | 0 | 0 | 111.6 | D68 K69 W74 A75 Q76 | D68-E72 PolarHBondContact O-N 3.45Å; K69-E72 PolarHBondContact O-N 3.18Å; E72-W74 PolarHBondContact O-N 2.86Å; E72-A75 PolarHBondContact O-N 3.44Å; E72-Q76 HydrophobicContact CG-CG 4.39Å; E72-Q76 VanDerWaalsContact CG-NE2 3.28Å; E72-Q76 WeakPolarHBondContact O-CB 3.46Å; E72-Q76 WeakPolarHBondContact O-CG 3.28Å; E72-Q76 PolarHBondContact O-N 2.94Å; E72-Q76 PolarHBondContact OE1-NE2 2.97Å; E72-Q76 VanDerWaalsContact OE1-NE2 3.07Å |
| 73 | E | 98.7 | Very high | 97.5 | Very high | 30 Ų | 30 | 60.1 Ų | 60.1 | 14% | 0.14 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62.9 | -40 | 177.8 | -72.9 | 179.9 | -163.1 | 0 | 0 | 112.8 | K69 V70 A71 G77 T78 F79 R95 | K69-E73 WeakPolarHBondContact O-CG 3.49Å; K69-E73 PolarHBondContact O-N 3.23Å; V70-E73 PolarHBondContact O-N 3.26Å; A71-E73 VanDerWaalsContact C-N 3.33Å; A71-E73 PolarHBondContact O-N 3.29Å; E73-G77 PolarHBondContact O-N 3.47Å; E73-T78 VanDerWaalsContact CA-OG1 3.31Å; E73-T78 WeakPolarHBondContact CA-OG1 3.23Å; E73-T78 PolarHBondContact O-N 2.94Å; E73-T78 PolarHBondContact O-OG1 3.42Å; E73-F79 HydrophobicContact CB-CB 4.08Å; E73-F79 HydrophobicContact CB-CD2 4.37Å; E73-F79 PolarHBondContact O-N 3.17Å; E73-R95 VanDerWaalsContact CD-NE 3.34Å; E73-R95 IonicContact OE1-CZ 3.98Å; E73-R95 IonicContact OE1-NE 2.72Å; E73-R95 PolarHBondContact OE1-NE 2.96Å; E73-R95 VanDerWaalsContact OE1-NE 3.15Å; E73-R95 IonicContact OE1-NH2 3.64Å; E73-R95 PolarHBondContact OE1-NH2 3.43Å; E73-R95 IonicContact OE2-CZ 2.75Å; E73-R95 IonicContact OE2-NE 3.73Å; E73-R95 PolarHBondContact OE2-NE 2.93Å; E73-R95 IonicContact OE2-NH2 3.5Å |
| 74 | W | 98.3 | Very high | 96.9 | Very high | 34 Ų | 34 | 64.8 Ų | 64.8 | 13% | 0.129 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -65 | -47.9 | 174 | -84 | 113.9 | 0 | 0 | 0 | 112 | R32 W35 V70 A71 E72 Q76 G77 F79 L81 I88 N92 | R32-W74 HydrophobicContact CB-CH2 4.44Å; W35-W74 HydrophobicContact CB-CD2 3.92Å; W35-W74 HydrophobicContact CB-CE3 4.5Å; W35-W74 HydrophobicContact CB-CG 4.05Å; W35-W74 HydrophobicContact CB-CZ2 4.4Å; W35-W74 HydrophobicContact CD2-CB 3.4Å; W35-W74 VanDerWaalsContact CD2-CB 3.4Å; W35-W74 HydrophobicContact CD2-CD2 4.17Å; W35-W74 AromaticContact CD2-CG 3.59Å; W35-W74 HydrophobicContact CD2-CG 3.59Å; W35-W74 HydrophobicContact CE3-CB 3.37Å; W35-W74 AromaticContact CE3-CD1 3.73Å; W35-W74 AromaticContact CE3-CG 3.64Å; W35-W74 HydrophobicContact CE3-CG 3.64Å; W35-W74 HydrophobicContact CG-CB 4.06Å; W35-W74 AromaticContact CG-CD2 3.85Å; W35-W74 HydrophobicContact CG-CD2 3.85Å; W35-W74 HydrophobicContact CG-CE3 4.22Å; W35-W74 AromaticContact CG-CG 3.78Å; W35-W74 HydrophobicContact CG-CG 3.78Å; W35-W74 HydrophobicContact CH2-CB 3.93Å; W35-W74 HydrophobicContact CZ2-CB 3.95Å; W35-W74 HydrophobicContact CZ3-CB 3.66Å; W35-W74 HydrophobicContact CZ3-CG 4.39Å; V70-W74 PolarHBondContact O-N 3.02Å; V70-W74 VanDerWaalsContact O-N 3.13Å; A71-W74 PolarHBondContact O-N 2.98Å; E72-W74 PolarHBondContact O-N 2.86Å; W74-Q76 VanDerWaalsContact C-N 3.26Å; W74-Q76 PolarHBondContact O-N 2.86Å; W74-G77 PolarHBondContact O-N 2.93Å; W74-G77 VanDerWaalsContact O-N 3.08Å; W74-F79 AromaticContact CD1-CD2 3.73Å; W74-F79 HydrophobicContact CD2-CB 3.9Å; W74-F79 HydrophobicContact CD2-CD1 4.29Å; W74-F79 HydrophobicContact CD2-CD2 4.14Å; W74-F79 AromaticContact CD2-CG 3.85Å; W74-F79 HydrophobicContact CD2-CG 3.85Å; W74-F79 AromaticContact CE2-CD1 3.73Å; W74-F79 AromaticContact CE2-CD2 3.64Å; W74-F79 AromaticContact CE2-CE2 3.89Å; W74-F79 AromaticContact CE2-CG 3.55Å; W74-F79 HydrophobicContact CE3-CB 4.13Å; W74-F79 HydrophobicContact CE3-CG 4.35Å; W74-F79 HydrophobicContact CG-CB 4.19Å; W74-F79 HydrophobicContact CG-CD2 4.18Å; W74-F79 HydrophobicContact CG-CG 4.27Å; W74-F79 AromaticContact CH2-CD1 3.78Å; W74-F79 HydrophobicContact CH2-CD1 3.78Å; W74-F79 HydrophobicContact CH2-CE1 4.11Å; W74-F79 HydrophobicContact CH2-CG 4.33Å; W74-F79 AromaticContact CZ2-CD1 3.45Å; W74-F79 HydrophobicContact CZ2-CD1 3.45Å; W74-F79 VanDerWaalsContact CZ2-CD1 3.45Å; W74-F79 HydrophobicContact CZ2-CD2 4.17Å; W74-F79 AromaticContact CZ2-CE1 3.51Å; W74-F79 HydrophobicContact CZ2-CE1 3.51Å; W74-F79 HydrophobicContact CZ2-CE2 4.18Å; W74-F79 AromaticContact CZ2-CG 3.82Å; W74-F79 HydrophobicContact CZ2-CG 3.82Å; W74-F79 AromaticContact CZ2-CZ 3.89Å; W74-F79 HydrophobicContact CZ2-CZ 3.89Å; W74-F79 HydrophobicContact CZ3-CD1 4.32Å; W74-F79 AromaticContact NE1-CD2 3.37Å; W74-F79 AromaticContact NE1-CE2 3.46Å; W74-F79 AromaticContact NE1-CG 3.81Å; W74-L81 HydrophobicContact CH2-CD1 3.89Å; W74-L81 HydrophobicContact CH2-CD2 4.35Å; W74-L81 HydrophobicContact CH2-CG 4.08Å; W74-L81 HydrophobicContact CZ3-CD1 4.17Å; W74-I88 HydrophobicContact CH2-CD1 4.02Å; W74-I88 HydrophobicContact CZ2-CD1 3.37Å; W74-N92 PolarHBondContact NE1-OD1 2.92Å |
| 75 | A | 98.1 | Very high | 96.6 | Very high | 76 Ų | 76 | 64.4 Ų | 64.4 | 63% | 0.628 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -62.4 | -33.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | W35 A71 E72 | W35-A75 HydrophobicContact CH2-CB 4.24Å; A71-A75 WeakPolarHBondContact O-CB 3.36Å; A71-A75 PolarHBondContact O-N 3.28Å; E72-A75 PolarHBondContact O-N 3.44Å |
| 76 | Q | 98.1 | Very high | 96.3 | Very high | 121 Ų | 121 | 60.2 Ų | 60.2 | 57% | 0.565 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -4.9 | 177.5 | -66.2 | 177.4 | 6 | 0 | 0 | 113.6 | E72 W74 T78 | E72-Q76 HydrophobicContact CG-CG 4.39Å; E72-Q76 VanDerWaalsContact CG-NE2 3.28Å; E72-Q76 WeakPolarHBondContact O-CB 3.46Å; E72-Q76 WeakPolarHBondContact O-CG 3.28Å; E72-Q76 PolarHBondContact O-N 2.94Å; E72-Q76 PolarHBondContact OE1-NE2 2.97Å; E72-Q76 VanDerWaalsContact OE1-NE2 3.07Å; W74-Q76 VanDerWaalsContact C-N 3.26Å; W74-Q76 PolarHBondContact O-N 2.86Å; Q76-T78 HydrophobicContact CB-CG2 4.01Å; Q76-T78 PolarHBondContact O-N 2.66Å |
| 77 | G | 97.5 | Very high | 96.2 | Very high | 67 Ų | 67 | 61 Ų | 61 | 69% | 0.691 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67 | 19.9 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | E73 W74 | E73-G77 PolarHBondContact O-N 3.47Å; W74-G77 PolarHBondContact O-N 2.93Å; W74-G77 VanDerWaalsContact O-N 3.08Å |
| 78 | T | 98 | Very high | 96.2 | Very high | 71 Ų | 71 | 60.8 Ų | 60.8 | 44% | 0.436 | 34% | 0.341 | S | S | . | . | trans | -93.8 | -11.6 | 179.5 | 58.2 | 0 | 0 | 0 | 0 | 112.7 | E73 Q76 K80 | E73-T78 VanDerWaalsContact CA-OG1 3.31Å; E73-T78 WeakPolarHBondContact CA-OG1 3.23Å; E73-T78 PolarHBondContact O-N 2.94Å; E73-T78 PolarHBondContact O-OG1 3.42Å; Q76-T78 HydrophobicContact CB-CG2 4.01Å; Q76-T78 PolarHBondContact O-N 2.66Å; T78-K80 PolarHBondContact O-N 3.17Å | ||
| 79 | F | 98.1 | Very high | 96.1 | Very high | 16 Ų | 16 | 57.5 Ų | 57.5 | 7% | 0.07 | 32% | 0.324 | C | S | . | . | trans | -58.1 | 122.6 | 173.3 | -169.8 | -79.7 | 0 | 0 | 0 | 110.8 | V70 E73 W74 L81 A91 R95 | V70-F79 HydrophobicContact CG1-CD2 4.41Å; V70-F79 HydrophobicContact CG1-CE2 4.09Å; E73-F79 HydrophobicContact CB-CB 4.08Å; E73-F79 HydrophobicContact CB-CD2 4.37Å; E73-F79 PolarHBondContact O-N 3.17Å; W74-F79 AromaticContact CD1-CD2 3.73Å; W74-F79 HydrophobicContact CD2-CB 3.9Å; W74-F79 HydrophobicContact CD2-CD1 4.29Å; W74-F79 HydrophobicContact CD2-CD2 4.14Å; W74-F79 AromaticContact CD2-CG 3.85Å; W74-F79 HydrophobicContact CD2-CG 3.85Å; W74-F79 AromaticContact CE2-CD1 3.73Å; W74-F79 AromaticContact CE2-CD2 3.64Å; W74-F79 AromaticContact CE2-CE2 3.89Å; W74-F79 AromaticContact CE2-CG 3.55Å; W74-F79 HydrophobicContact CE3-CB 4.13Å; W74-F79 HydrophobicContact CE3-CG 4.35Å; W74-F79 HydrophobicContact CG-CB 4.19Å; W74-F79 HydrophobicContact CG-CD2 4.18Å; W74-F79 HydrophobicContact CG-CG 4.27Å; W74-F79 AromaticContact CH2-CD1 3.78Å; W74-F79 HydrophobicContact CH2-CD1 3.78Å; W74-F79 HydrophobicContact CH2-CE1 4.11Å; W74-F79 HydrophobicContact CH2-CG 4.33Å; W74-F79 AromaticContact CZ2-CD1 3.45Å; W74-F79 HydrophobicContact CZ2-CD1 3.45Å; W74-F79 VanDerWaalsContact CZ2-CD1 3.45Å; W74-F79 HydrophobicContact CZ2-CD2 4.17Å; W74-F79 AromaticContact CZ2-CE1 3.51Å; W74-F79 HydrophobicContact CZ2-CE1 3.51Å; W74-F79 HydrophobicContact CZ2-CE2 4.18Å; W74-F79 AromaticContact CZ2-CG 3.82Å; W74-F79 HydrophobicContact CZ2-CG 3.82Å; W74-F79 AromaticContact CZ2-CZ 3.89Å; W74-F79 HydrophobicContact CZ2-CZ 3.89Å; W74-F79 HydrophobicContact CZ3-CD1 4.32Å; W74-F79 AromaticContact NE1-CD2 3.37Å; W74-F79 AromaticContact NE1-CE2 3.46Å; W74-F79 AromaticContact NE1-CG 3.81Å; F79-L81 HydrophobicContact CD1-CG 4.32Å; F79-L81 HydrophobicContact CE1-CG 4.34Å; F79-A91 HydrophobicContact CE1-CB 4.06Å; F79-A91 HydrophobicContact CZ-CB 3.88Å; F79-A91 WeakPolarHBondContact CZ-O 3.44Å; F79-R95 HydrophobicContact CD2-CB 4.42Å; F79-R95 HydrophobicContact CD2-CG 4.13Å; F79-R95 HydrophobicContact CE2-CB 3.44Å; F79-R95 VanDerWaalsContact CE2-CB 3.44Å; F79-R95 HydrophobicContact CE2-CG 3.62Å; F79-R95 HydrophobicContact CZ-CB 3.86Å; F79-R95 HydrophobicContact CZ-CG 4.39Å | ||
| 80 | K | 96.9 | Very high | 96 | Very high | 166 Ų | 166 | 53.5 Ų | 53.5 | 72% | 0.722 | 31% | 0.307 | S | S | * | . | trans | -94.2 | 104 | 178.3 | -63.4 | -177.8 | -176.1 | 177.5 | 0 | 109.9 | T78 R94 | T78-K80 PolarHBondContact O-N 3.17Å; K80-R94 PolarHBondContact O-NH2 3.5Å | ||
| 81 | L | 96 | Very high | 96 | Very high | 64 Ų | 64 | 53.5 Ų | 53.5 | 34% | 0.335 | 31% | 0.307 | S | S | . | . | trans | -63 | 134.8 | 168.5 | -83.5 | 128.1 | 0 | 0 | 0 | 110.7 | I28 W74 F79 | I28-L81 HydrophobicContact CD1-CD2 3.55Å; I28-L81 HydrophobicContact CG1-CD2 3.19Å; W74-L81 HydrophobicContact CH2-CD1 3.89Å; W74-L81 HydrophobicContact CH2-CD2 4.35Å; W74-L81 HydrophobicContact CH2-CG 4.08Å; W74-L81 HydrophobicContact CZ3-CD1 4.17Å; F79-L81 HydrophobicContact CD1-CG 4.32Å; F79-L81 HydrophobicContact CE1-CG 4.34Å | ||
| 82 | N | 93 | Very high | 95.9 | Very high | 65 Ų | 65 | 52.6 Ų | 52.6 | 35% | 0.348 | 30% | 0.299 | S | S | . | . | trans | -96.9 | 149 | 172.3 | -70.9 | -8.1 | 0 | 0 | 0 | 110.3 | N84 D85 R94 | N82-N84 PolarHBondContact O-N 3.43Å; N82-D85 PolarHBondContact N-OD2 3Å; N82-D85 WeakPolarHBondContact O-CB 3.39Å; N82-D85 PolarHBondContact O-N 2.89Å; N82-R94 WeakPolarHBondContact ND2-CD 3.4Å; N82-R94 VanDerWaalsContact ND2-CZ 3.29Å; N82-R94 PolarHBondContact ND2-NE 2.87Å; N82-R94 PolarHBondContact ND2-NH1 3.42Å | ||
| 83 | S | 88 | Confident | 95.9 | Very high | 117 Ų | 117 | 48.9 Ų | 48.9 | 82% | 0.818 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -19.2 | 172.2 | 54.6 | 0 | 0 | 0 | 0 | 113.5 | ||
| 84 | N | 85.5 | Confident | 95.8 | Very high | 98 Ų | 98 | 49.6 Ų | 49.6 | 52% | 0.524 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | -0.7 | -177.1 | -53.8 | -1.4 | 0 | 0 | 0 | 112.1 | N82 E86 | N82-N84 PolarHBondContact O-N 3.43Å; N84-E86 PolarHBondContact O-N 3.1Å |
| 85 | D | 93 | Very high | 95.8 | Very high | 7 Ų | 7 | 50.7 Ų | 50.7 | 4% | 0.037 | 29% | 0.287 | C | S | . | . | trans | -75.7 | 105.6 | 173 | -66.9 | -25.4 | 0 | 0 | 0 | 107.9 | I28 N82 A91 R94 | I28-D85 HydrophobicContact CG1-CB 4.49Å; I28-D85 WeakPolarHBondContact CG2-O 3.49Å; N82-D85 PolarHBondContact N-OD2 3Å; N82-D85 WeakPolarHBondContact O-CB 3.39Å; N82-D85 PolarHBondContact O-N 2.89Å; D85-A91 HydrophobicContact CB-CB 3.98Å; D85-R94 IonicContact OD1-NE 3.55Å; D85-R94 PolarHBondContact OD1-NE 2.8Å; D85-R94 IonicContact OD2-NE 3.88Å; D85-R94 IonicContact OD2-NH2 2.96Å | ||
| 86 | E | 92.3 | Very high | 95.8 | Very high | 28 Ų | 28 | 47.1 Ų | 47.1 | 13% | 0.131 | 26% | 0.257 | C | S | . | . | trans | -66.6 | -42.8 | 179.6 | 179.1 | -178.4 | 156.4 | 0 | 0 | 111.7 | W9 N25 A26 S27 I28 N84 K323 | W9-E86 VanDerWaalsContact CE2-OE2 3.31Å; W9-E86 VanDerWaalsContact CZ2-OE2 3.29Å; W9-E86 WeakPolarHBondContact CZ2-OE2 3.49Å; W9-E86 PolarHBondContact NE1-OE2 3.23Å; N25-E86 PolarHBondContact ND2-OE1 2.94Å; A26-E86 WeakPolarHBondContact CA-O 3.42Å; S27-E86 PolarHBondContact N-O 3.36Å; I28-E86 PolarHBondContact N-O 3.17Å; I28-E86 VanDerWaalsContact N-O 3.16Å; N84-E86 PolarHBondContact O-N 3.1Å; E86-K323 IonicContact OE1-NZ 3.32Å | ||
| 87 | D | 96.9 | Very high | 95.8 | Very high | 17 Ų | 17 | 47 Ų | 47 | 9% | 0.091 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -146.6 | 167.4 | -173.2 | 65.1 | 6.7 | 0 | 0 | 0 | 110.6 | S27 D31 H89 T90 A91 | S27-D87 WeakPolarHBondContact OG-CB 3.37Å; D31-D87 VanDerWaalsContact OD2-CB 3.26Å; D31-D87 WeakPolarHBondContact OD2-CB 3.4Å; D87-H89 PolarHBondContact O-N 2.95Å; D87-H89 PolarHBondContact OD1-N 3.19Å; D87-H89 IonicContact OD1-ND1 3.25Å; D87-H89 IonicContact OD2-CE1 3.33Å; D87-H89 IonicContact OD2-CG 2.76Å; D87-H89 IonicContact OD2-ND1 3.03Å; D87-H89 PolarHBondContact OD2-ND1 3.18Å; D87-T90 PolarHBondContact O-N 3.36Å; D87-T90 WeakPolarHBondContact OD1-CB 3.46Å; D87-T90 PolarHBondContact OD1-N 3.34Å; D87-T90 PolarHBondContact OD1-OG1 2.87Å; D87-A91 PolarHBondContact O-N 2.64Å; D87-A91 VanDerWaalsContact O-N 3.12Å |
| 88 | I | 98.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -57.8 | -35.3 | 179.4 | -176 | 53.7 | 0 | 0 | 0 | 112.8 | I28 D31 L34 W35 W74 T90 A91 N92 | I28-I88 HydrophobicContact CD1-CB 4.29Å; D31-I88 HydrophobicContact CB-CG2 4.19Å; D31-I88 WeakPolarHBondContact O-CG2 3.11Å; D31-I88 WeakPolarHBondContact OD1-CB 3.37Å; D31-I88 PolarHBondContact OD1-N 2.95Å; D31-I88 PolarHBondContact OD2-N 2.97Å; L34-I88 HydrophobicContact CB-CG2 4.27Å; W35-I88 HydrophobicContact CB-CD1 3.53Å; W35-I88 HydrophobicContact CB-CG1 3.94Å; W74-I88 HydrophobicContact CH2-CD1 4.02Å; W74-I88 HydrophobicContact CZ2-CD1 3.37Å; I88-T90 PolarHBondContact O-N 3.01Å; I88-A91 WeakPolarHBondContact O-CB 3.42Å; I88-A91 PolarHBondContact O-N 2.69Å; I88-N92 WeakPolarHBondContact O-CB 3.3Å; I88-N92 PolarHBondContact O-N 3.09Å |
| 89 | H | 97.8 | Very high | 95.8 | Very high | 5 Ų | 5 | 47.8 Ų | 47.8 | 2% | 0.023 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -67.2 | -40.5 | -177.4 | -37.6 | 98.3 | 0 | 0 | 0 | 111.5 | D38 D87 E93 R113 D120 | D38-H89 IonicContact OD1-CD2 2.87Å; D87-H89 PolarHBondContact O-N 2.95Å; D87-H89 PolarHBondContact OD1-N 3.19Å; D87-H89 IonicContact OD1-ND1 3.25Å; D87-H89 IonicContact OD2-CE1 3.33Å; D87-H89 IonicContact OD2-CG 2.76Å; D87-H89 IonicContact OD2-ND1 3.03Å; D87-H89 PolarHBondContact OD2-ND1 3.18Å; H89-E93 VanDerWaalsContact O-CB 3.27Å; H89-E93 WeakPolarHBondContact O-CB 3.3Å; H89-E93 PolarHBondContact O-N 3.37Å; H89-R113 VanDerWaalsContact C-NH2 3.26Å; H89-R113 PolarHBondContact O-NH2 3.25Å; H89-D120 IonicContact CD2-OD2 3.96Å; H89-D120 PolarHBondContact CD2-OD2 3.21Å; H89-D120 IonicContact NE2-OD2 3.49Å; H89-D120 PolarHBondContact NE2-OD2 3.24Å |
| 90 | T | 96 | Very high | 95.8 | Very high | 11 Ų | 11 | 48.2 Ų | 48.2 | 7% | 0.067 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.3 | -42.9 | 174.1 | -58.2 | 0 | 0 | 0 | 0 | 110.6 | L8 D87 I88 E93 R94 | L8-T90 HydrophobicContact CD1-CG2 4.48Å; L8-T90 WeakPolarHBondContact CD1-OG1 3.43Å; D87-T90 PolarHBondContact O-N 3.36Å; D87-T90 WeakPolarHBondContact OD1-CB 3.46Å; D87-T90 PolarHBondContact OD1-N 3.34Å; D87-T90 PolarHBondContact OD1-OG1 2.87Å; I88-T90 PolarHBondContact O-N 3.01Å; T90-E93 PolarHBondContact O-N 2.79Å; T90-R94 VanDerWaalsContact O-CB 3.23Å; T90-R94 WeakPolarHBondContact O-CB 3.39Å; T90-R94 PolarHBondContact O-N 3.26Å |
| 91 | A | 97.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -58.9 | -50.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | I28 F79 D85 D87 I88 R94 R95 | I28-A91 HydrophobicContact CD1-CB 4.3Å; F79-A91 HydrophobicContact CE1-CB 4.06Å; F79-A91 HydrophobicContact CZ-CB 3.88Å; F79-A91 WeakPolarHBondContact CZ-O 3.44Å; D85-A91 HydrophobicContact CB-CB 3.98Å; D87-A91 PolarHBondContact O-N 2.64Å; D87-A91 VanDerWaalsContact O-N 3.12Å; I88-A91 WeakPolarHBondContact O-CB 3.42Å; I88-A91 PolarHBondContact O-N 2.69Å; A91-R94 PolarHBondContact O-N 3.28Å; A91-R95 WeakPolarHBondContact O-CB 3.48Å; A91-R95 PolarHBondContact O-N 3.48Å |
| 92 | N | 98.3 | Very high | 95.6 | Very high | 4 Ų | 4 | 43.3 Ų | 43.3 | 2% | 0.021 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.2 | -43.3 | -179.4 | -76.2 | -6.4 | 0 | 0 | 0 | 112.3 | D38 W74 I88 R95 L96 | D38-N92 WeakPolarHBondContact OD2-CB 3.39Å; D38-N92 PolarHBondContact OD2-ND2 3.16Å; W74-N92 PolarHBondContact NE1-OD1 2.92Å; I88-N92 WeakPolarHBondContact O-CB 3.3Å; I88-N92 PolarHBondContact O-N 3.09Å; N92-R95 PolarHBondContact O-N 3.04Å; N92-L96 WeakPolarHBondContact O-CB 3.23Å; N92-L96 PolarHBondContact O-N 3.41Å |
| 93 | E | 96.8 | Very high | 95.8 | Very high | 29 Ų | 29 | 41.2 Ų | 41.2 | 14% | 0.136 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -68 | -40.8 | 178.7 | -175.7 | 165.5 | -153.7 | 0 | 0 | 112.6 | L8 H89 T90 L96 K97 R113 | L8-E93 WeakPolarHBondContact CD2-OE2 3.44Å; H89-E93 VanDerWaalsContact O-CB 3.27Å; H89-E93 WeakPolarHBondContact O-CB 3.3Å; H89-E93 PolarHBondContact O-N 3.37Å; T90-E93 PolarHBondContact O-N 2.79Å; E93-L96 PolarHBondContact O-N 3.43Å; E93-K97 WeakPolarHBondContact O-CB 3.39Å; E93-K97 PolarHBondContact O-N 2.98Å; E93-R113 IonicContact OE2-CZ 2.69Å; E93-R113 IonicContact OE2-NH1 3.08Å; E93-R113 IonicContact OE2-NH2 2.69Å; E93-R113 PolarHBondContact OE2-NH2 3.26Å |
| 94 | R | 97 | Very high | 96.3 | Very high | 45 Ų | 45 | 35.7 Ų | 35.7 | 17% | 0.17 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -57.4 | -51.5 | 172.1 | 176.3 | -162.7 | 60.7 | 92.3 | -1.9 | 109.9 | K80 N82 D85 T90 A91 L96 K97 E98 | K80-R94 PolarHBondContact O-NH2 3.5Å; N82-R94 WeakPolarHBondContact ND2-CD 3.4Å; N82-R94 VanDerWaalsContact ND2-CZ 3.29Å; N82-R94 PolarHBondContact ND2-NE 2.87Å; N82-R94 PolarHBondContact ND2-NH1 3.42Å; D85-R94 IonicContact OD1-NE 3.55Å; D85-R94 PolarHBondContact OD1-NE 2.8Å; D85-R94 IonicContact OD2-NE 3.88Å; D85-R94 IonicContact OD2-NH2 2.96Å; T90-R94 VanDerWaalsContact O-CB 3.23Å; T90-R94 WeakPolarHBondContact O-CB 3.39Å; T90-R94 PolarHBondContact O-N 3.26Å; A91-R94 PolarHBondContact O-N 3.28Å; R94-L96 VanDerWaalsContact C-N 3.31Å; R94-L96 PolarHBondContact O-N 2.89Å; R94-K97 WeakPolarHBondContact O-CB 3.4Å; R94-K97 PolarHBondContact O-N 3.23Å; R94-K97 VanDerWaalsContact O-N 3.13Å; R94-E98 IonicContact CZ-OE1 2.81Å; R94-E98 IonicContact NH1-OE1 3.53Å; R94-E98 PolarHBondContact NH1-OE1 2.94Å; R94-E98 IonicContact NH1-OE2 3.89Å; R94-E98 PolarHBondContact NH1-OE2 2.74Å; R94-E98 WeakPolarHBondContact O-CG 3.43Å; R94-E98 PolarHBondContact O-N 2.62Å |
| 95 | R | 98 | Very high | 96.8 | Very high | 57 Ų | 57 | 33.7 Ų | 33.7 | 22% | 0.215 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.5 | -39.6 | -176.8 | -172 | 63.3 | -172.7 | 142.6 | 4.3 | 111.5 | V70 E73 F79 A91 N92 K97 E98 L99 | V70-R95 HydrophobicContact CG2-CB 4.17Å; V70-R95 HydrophobicContact CG2-CG 3.93Å; E73-R95 VanDerWaalsContact CD-NE 3.34Å; E73-R95 IonicContact OE1-CZ 3.98Å; E73-R95 IonicContact OE1-NE 2.72Å; E73-R95 PolarHBondContact OE1-NE 2.96Å; E73-R95 VanDerWaalsContact OE1-NE 3.15Å; E73-R95 IonicContact OE1-NH2 3.64Å; E73-R95 PolarHBondContact OE1-NH2 3.43Å; E73-R95 IonicContact OE2-CZ 2.75Å; E73-R95 IonicContact OE2-NE 3.73Å; E73-R95 PolarHBondContact OE2-NE 2.93Å; E73-R95 IonicContact OE2-NH2 3.5Å; F79-R95 HydrophobicContact CD2-CB 4.42Å; F79-R95 HydrophobicContact CD2-CG 4.13Å; F79-R95 HydrophobicContact CE2-CB 3.44Å; F79-R95 VanDerWaalsContact CE2-CB 3.44Å; F79-R95 HydrophobicContact CE2-CG 3.62Å; F79-R95 HydrophobicContact CZ-CB 3.86Å; F79-R95 HydrophobicContact CZ-CG 4.39Å; A91-R95 WeakPolarHBondContact O-CB 3.48Å; A91-R95 PolarHBondContact O-N 3.48Å; N92-R95 PolarHBondContact O-N 3.04Å; R95-K97 VanDerWaalsContact C-N 3.33Å; R95-K97 PolarHBondContact O-N 3.4Å; R95-E98 WeakPolarHBondContact CD-OE2 3.47Å; R95-E98 IonicContact CZ-OE2 2.63Å; R95-E98 IonicContact NH1-OE2 3.67Å; R95-E98 PolarHBondContact NH1-OE2 3.13Å; R95-E98 PolarHBondContact O-N 3.47Å; R95-L99 HydrophobicContact CG-CD1 4.27Å; R95-L99 WeakPolarHBondContact O-CG 3.35Å; R95-L99 PolarHBondContact O-N 3.21Å; R95-L99 VanDerWaalsContact O-N 3.12Å |
| 96 | L | 98.4 | Very high | 97 | Very high | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -57.2 | -46.9 | 172.5 | -175.2 | 66.2 | 0 | 0 | 0 | 111.1 | I63 G66 L67 V70 N92 E93 R94 E98 L99 I100 A104 L107 | I63-L96 HydrophobicContact CG2-CD2 4.4Å; G66-L96 VanDerWaalsContact C-CD1 3.49Å; L67-L96 HydrophobicContact CD2-CD1 4.13Å; L67-L96 HydrophobicContact CD2-CD2 3.99Å; L67-L96 HydrophobicContact CG-CD1 3.99Å; L67-L96 HydrophobicContact CG-CD2 4.24Å; V70-L96 HydrophobicContact CG2-CB 4.48Å; N92-L96 WeakPolarHBondContact O-CB 3.23Å; N92-L96 PolarHBondContact O-N 3.41Å; E93-L96 PolarHBondContact O-N 3.43Å; R94-L96 VanDerWaalsContact C-N 3.31Å; R94-L96 PolarHBondContact O-N 2.89Å; L96-E98 VanDerWaalsContact C-N 3.33Å; L96-E98 PolarHBondContact O-N 3.47Å; L96-L99 PolarHBondContact O-N 3.46Å; L96-I100 HydrophobicContact CD1-CD1 3.86Å; L96-I100 HydrophobicContact CD1-CG1 4.32Å; L96-I100 HydrophobicContact CD2-CD1 4.43Å; L96-I100 HydrophobicContact CG-CD1 3.94Å; L96-I100 HydrophobicContact CG-CG1 4.27Å; L96-I100 WeakPolarHBondContact O-CG1 3.26Å; L96-I100 PolarHBondContact O-N 3.08Å; L96-A104 HydrophobicContact CB-CB 4.44Å; L96-A104 HydrophobicContact CD2-CB 4.14Å; L96-A104 HydrophobicContact CG-CB 3.92Å; L96-L107 HydrophobicContact CD2-CD2 3.53Å |
| 97 | K | 97.7 | Very high | 97.3 | Very high | 119 Ų | 119 | 35.1 Ų | 35.1 | 52% | 0.517 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -59.4 | -40.7 | 177.1 | -173.9 | -176.5 | 177.1 | -171.7 | 0 | 112.5 | E93 R94 R95 L99 G101 A104 | E93-K97 WeakPolarHBondContact O-CB 3.39Å; E93-K97 PolarHBondContact O-N 2.98Å; R94-K97 WeakPolarHBondContact O-CB 3.4Å; R94-K97 PolarHBondContact O-N 3.23Å; R94-K97 VanDerWaalsContact O-N 3.13Å; R95-K97 VanDerWaalsContact C-N 3.33Å; R95-K97 PolarHBondContact O-N 3.4Å; K97-L99 PolarHBondContact O-N 2.85Å; K97-G101 VanDerWaalsContact O-CA 3.22Å; K97-G101 WeakPolarHBondContact O-CA 3.16Å; K97-G101 PolarHBondContact O-N 3.38Å; K97-A104 VanDerWaalsContact CA-CB 3.47Å; K97-A104 HydrophobicContact CB-CB 3.91Å; K97-A104 HydrophobicContact CG-CB 4.46Å |
| 98 | E | 97.8 | Very high | 97.2 | Very high | 100 Ų | 100 | 36.3 Ų | 36.3 | 47% | 0.467 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -64.1 | -30.4 | 175.6 | -69.7 | 170.6 | -176.6 | 0 | 0 | 112.8 | R94 R95 L96 | R94-E98 IonicContact CZ-OE1 2.81Å; R94-E98 IonicContact NH1-OE1 3.53Å; R94-E98 PolarHBondContact NH1-OE1 2.94Å; R94-E98 IonicContact NH1-OE2 3.89Å; R94-E98 PolarHBondContact NH1-OE2 2.74Å; R94-E98 WeakPolarHBondContact O-CG 3.43Å; R94-E98 PolarHBondContact O-N 2.62Å; R95-E98 WeakPolarHBondContact CD-OE2 3.47Å; R95-E98 IonicContact CZ-OE2 2.63Å; R95-E98 IonicContact NH1-OE2 3.67Å; R95-E98 PolarHBondContact NH1-OE2 3.13Å; R95-E98 PolarHBondContact O-N 3.47Å; L96-E98 VanDerWaalsContact C-N 3.33Å; L96-E98 PolarHBondContact O-N 3.47Å |
| 99 | L | 98.1 | Very high | 97.2 | Very high | 54 Ų | 54 | 38.8 Ų | 38.8 | 28% | 0.283 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -85.3 | -36.6 | -177.8 | -69.4 | 171.8 | 0 | 0 | 0 | 113.8 | K69 V70 R95 L96 K97 | K69-L99 HydrophobicContact CB-CD1 3.9Å; V70-L99 HydrophobicContact CG2-CD1 3.7Å; R95-L99 HydrophobicContact CG-CD1 4.27Å; R95-L99 WeakPolarHBondContact O-CG 3.35Å; R95-L99 PolarHBondContact O-N 3.21Å; R95-L99 VanDerWaalsContact O-N 3.12Å; L96-L99 PolarHBondContact O-N 3.46Å; K97-L99 PolarHBondContact O-N 2.85Å |
| 100 | I | 98 | Very high | 97.1 | Very high | 25 Ų | 25 | 39.7 Ų | 39.7 | 13% | 0.128 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -123.2 | -3.8 | -172.2 | 75.5 | 175.9 | 0 | 0 | 0 | 114.6 | Q62 I63 L96 A104 | Q62-I100 HydrophobicContact CG-CB 4.06Å; Q62-I100 HydrophobicContact CG-CD1 4.49Å; Q62-I100 HydrophobicContact CG-CG2 4.2Å; I63-I100 HydrophobicContact CB-CD1 4.33Å; I63-I100 HydrophobicContact CG1-CD1 3.69Å; L96-I100 HydrophobicContact CD1-CD1 3.86Å; L96-I100 HydrophobicContact CD1-CG1 4.32Å; L96-I100 HydrophobicContact CD2-CD1 4.43Å; L96-I100 HydrophobicContact CG-CD1 3.94Å; L96-I100 HydrophobicContact CG-CG1 4.27Å; L96-I100 WeakPolarHBondContact O-CG1 3.26Å; L96-I100 PolarHBondContact O-N 3.08Å; I100-A104 HydrophobicContact CD1-CB 4.02Å; I100-A104 HydrophobicContact CG1-CB 3.8Å |
| 101 | G | 96 | Very high | 97.2 | Very high | 34 Ų | 34 | 40.1 Ų | 40.1 | 35% | 0.351 | 23% | 0.233 | S | C | . | . | G | 310 helix | trans | 70.5 | -134.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | K97 T103 A104 | K97-G101 VanDerWaalsContact O-CA 3.22Å; K97-G101 WeakPolarHBondContact O-CA 3.16Å; K97-G101 PolarHBondContact O-N 3.38Å; G101-T103 VanDerWaalsContact C-N 3.34Å; G101-T103 PolarHBondContact O-N 3.23Å; G101-A104 WeakPolarHBondContact O-CB 3.4Å; G101-A104 PolarHBondContact O-N 3.06Å |
| 102 | A | 94 | Very high | 97.2 | Very high | 93 Ų | 93 | 41 Ų | 41 | 77% | 0.769 | 24% | 0.239 | S | C | * | . | G | 310 helix | trans | -62.4 | -35.2 | -166.1 | 0 | 0 | 0 | 0 | 0 | 114 | A104 G105 | A102-A104 PolarHBondContact O-N 3.12Å; A102-A104 VanDerWaalsContact O-N 3.14Å; A102-G105 PolarHBondContact O-N 3.25Å |
| 103 | T | 97 | Very high | 97.1 | Very high | 21 Ų | 21 | 42.9 Ų | 42.9 | 13% | 0.129 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -58.8 | -28.6 | -178.9 | -42.8 | 0 | 0 | 0 | 0 | 112.3 | E59 Q62 I63 G101 G105 K106 | E59-T103 HydrophobicContact CB-CG2 3.7Å; E59-T103 HydrophobicContact CG-CG2 3.84Å; Q62-T103 PolarHBondContact OE1-OG1 2.97Å; I63-T103 HydrophobicContact CD1-CG2 4.03Å; I63-T103 HydrophobicContact CG1-CG2 4Å; G101-T103 VanDerWaalsContact C-N 3.34Å; G101-T103 PolarHBondContact O-N 3.23Å; T103-G105 PolarHBondContact O-N 3.42Å; T103-K106 WeakPolarHBondContact O-CB 3.27Å; T103-K106 PolarHBondContact O-N 2.98Å |
| 104 | A | 97.4 | Very high | 97.2 | Very high | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.008 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -57.7 | -36.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L96 K97 I100 G101 A102 K106 L107 | L96-A104 HydrophobicContact CB-CB 4.44Å; L96-A104 HydrophobicContact CD2-CB 4.14Å; L96-A104 HydrophobicContact CG-CB 3.92Å; K97-A104 VanDerWaalsContact CA-CB 3.47Å; K97-A104 HydrophobicContact CB-CB 3.91Å; K97-A104 HydrophobicContact CG-CB 4.46Å; I100-A104 HydrophobicContact CD1-CB 4.02Å; I100-A104 HydrophobicContact CG1-CB 3.8Å; G101-A104 WeakPolarHBondContact O-CB 3.4Å; G101-A104 PolarHBondContact O-N 3.06Å; A102-A104 PolarHBondContact O-N 3.12Å; A102-A104 VanDerWaalsContact O-N 3.14Å; A104-K106 PolarHBondContact O-N 3.33Å; A104-K106 VanDerWaalsContact O-N 3.14Å; A104-L107 WeakPolarHBondContact O-CB 3.42Å; A104-L107 PolarHBondContact O-N 2.75Å; A104-L107 VanDerWaalsContact O-N 3.12Å |
| 105 | G | 95.6 | Very high | 97.3 | Very high | 56 Ų | 56 | 40.7 Ų | 40.7 | 58% | 0.577 | 24% | 0.239 | S | C | * | . | G | 310 helix | trans | -67 | -11.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | A102 T103 | A102-G105 PolarHBondContact O-N 3.25Å; T103-G105 PolarHBondContact O-N 3.42Å |
| 106 | K | 98 | Very high | 97.3 | Very high | 61 Ų | 61 | 38 Ų | 38 | 27% | 0.265 | 23% | 0.229 | S | C | . | . | G | 310 helix | trans | -83.1 | -22.7 | 174.6 | -59.6 | -175.7 | 71.4 | -175.6 | 0 | 112.5 | L54 L55 E59 T103 A104 H108 T109 | L54-K106 VanDerWaalsContact O-CE 3.32Å; L54-K106 WeakPolarHBondContact O-CE 3.35Å; L54-K106 PolarHBondContact O-NZ 3.02Å; L55-K106 HydrophobicContact CD2-CB 3.66Å; L55-K106 HydrophobicContact CD2-CD 3.9Å; L55-K106 HydrophobicContact CD2-CG 4.41Å; E59-K106 WeakPolarHBondContact OE1-CD 3.36Å; E59-K106 IonicContact OE1-NZ 2.8Å; E59-K106 PolarHBondContact OE1-NZ 3.4Å; E59-K106 IonicContact OE2-NZ 2.65Å; E59-K106 PolarHBondContact OE2-NZ 2.87Å; T103-K106 WeakPolarHBondContact O-CB 3.27Å; T103-K106 PolarHBondContact O-N 2.98Å; A104-K106 PolarHBondContact O-N 3.33Å; A104-K106 VanDerWaalsContact O-N 3.14Å; K106-H108 VanDerWaalsContact C-N 3.28Å; K106-H108 PolarHBondContact O-N 3.03Å; K106-T109 WeakPolarHBondContact O-CB 3.38Å; K106-T109 PolarHBondContact O-N 2.72Å; K106-T109 PolarHBondContact O-OG1 2.78Å |
| 107 | L | 97.9 | Very high | 97.3 | Very high | 4 Ų | 4 | 38.6 Ų | 38.6 | 2% | 0.021 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -33 | -173.8 | 178.1 | 59 | 0 | 0 | 0 | 113 | Y45 I63 L67 L96 A104 T109 | Y45-L107 HydrophobicContact CD1-CD1 4.37Å; Y45-L107 VanDerWaalsContact CD1-O 3.23Å; Y45-L107 WeakPolarHBondContact CD1-O 3.17Å; Y45-L107 VanDerWaalsContact CE1-O 3.28Å; Y45-L107 WeakPolarHBondContact CE1-O 3.47Å; I63-L107 HydrophobicContact CD1-CB 4.39Å; I63-L107 HydrophobicContact CG2-CD1 4.14Å; I63-L107 HydrophobicContact CG2-CD2 4.22Å; L67-L107 HydrophobicContact CD1-CD2 4.34Å; L96-L107 HydrophobicContact CD2-CD2 3.53Å; A104-L107 WeakPolarHBondContact O-CB 3.42Å; A104-L107 PolarHBondContact O-N 2.75Å; A104-L107 VanDerWaalsContact O-N 3.12Å; L107-T109 VanDerWaalsContact C-N 3.25Å; L107-T109 PolarHBondContact O-N 2.81Å |
| 108 | H | 96.2 | Very high | 97.3 | Very high | 43 Ų | 43 | 32.9 Ų | 32.9 | 20% | 0.199 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | 3.4 | 179.6 | -146.6 | 88.1 | 0 | 0 | 0 | 113.9 | K106 G110 R111 R113 Q116 | K106-H108 VanDerWaalsContact C-N 3.28Å; K106-H108 PolarHBondContact O-N 3.03Å; H108-G110 PolarHBondContact O-N 3.18Å; H108-G110 VanDerWaalsContact O-N 3.16Å; H108-R111 PolarHBondContact CD2-O 3.08Å; H108-R111 VanDerWaalsContact CD2-O 3.26Å; H108-R111 PolarHBondContact NE2-O 3.45Å; H108-R111 PolarHBondContact O-N 3.25Å; H108-R113 PolarHBondContact CE1-NH1 2.63Å; H108-R113 PolarHBondContact ND1-NH1 3.36Å; H108-Q116 PolarHBondContact CE1-OE1 2.88Å |
| 109 | T | 97.8 | Very high | 97.4 | Very high | 52 Ų | 52 | 28.2 Ų | 28.2 | 32% | 0.319 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | 119.5 | -176.7 | -69.3 | 0 | 0 | 0 | 0 | 111 | Y45 L49 L54 K106 L107 R111 L209 | Y45-T109 WeakPolarHBondContact CE1-O 3.17Å; Y45-T109 PolarHBondContact OH-O 3.35Å; L49-T109 WeakPolarHBondContact CD2-O 3.36Å; L54-T109 HydrophobicContact CD1-CG2 4.36Å; K106-T109 WeakPolarHBondContact O-CB 3.38Å; K106-T109 PolarHBondContact O-N 2.72Å; K106-T109 PolarHBondContact O-OG1 2.78Å; L107-T109 VanDerWaalsContact C-N 3.25Å; L107-T109 PolarHBondContact O-N 2.81Å; T109-R111 PolarHBondContact O-N 3.2Å; T109-L209 HydrophobicContact CG2-CD1 3.35Å |
| 110 | G | 96.4 | Very high | 97.4 | Very high | 23 Ų | 23 | 25.7 Ų | 25.7 | 24% | 0.237 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73 | 0.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | Y45 H108 N207 | Y45-G110 PolarHBondContact OH-O 2.94Å; H108-G110 PolarHBondContact O-N 3.18Å; H108-G110 VanDerWaalsContact O-N 3.16Å; G110-N207 PolarHBondContact O-ND2 3.45Å |
| 111 | R | 97.7 | Very high | 97.5 | Very high | 20 Ų | 20 | 24.5 Ų | 24.5 | 8% | 0.075 | 17% | 0.166 | C | C | . | . | trans | -94.3 | 154.3 | 176.6 | -163.5 | 162.8 | 65.1 | 167.8 | -0.1 | 110.2 | S42 Y45 H108 T109 Q116 L199 | S42-R111 PolarHBondContact OG-NH1 3.32Å; S42-R111 PolarHBondContact OG-NH2 3.06Å; Y45-R111 HydrophobicContact CD1-CB 4.32Å; Y45-R111 HydrophobicContact CE1-CB 3.65Å; Y45-R111 HydrophobicContact CE1-CG 4.31Å; Y45-R111 HydrophobicContact CE2-CB 4.32Å; Y45-R111 HydrophobicContact CE2-CG 4.45Å; Y45-R111 PolarHBondContact OH-N 3.45Å; H108-R111 PolarHBondContact CD2-O 3.08Å; H108-R111 VanDerWaalsContact CD2-O 3.26Å; H108-R111 PolarHBondContact NE2-O 3.45Å; H108-R111 PolarHBondContact O-N 3.25Å; T109-R111 PolarHBondContact O-N 3.2Å; R111-Q116 HydrophobicContact CG-CB 4.46Å; R111-L199 HydrophobicContact CG-CD1 4.39Å | ||
| 112 | S | 97.4 | Very high | 97.6 | Very high | 19 Ų | 19 | 23.5 Ų | 23.5 | 13% | 0.133 | 15% | 0.152 | C | C | . | . | trans | -121.2 | 158.4 | 168.3 | -176.7 | 0 | 0 | 0 | 0 | 110.1 | N114 D115 Q116 G202 A203 | S112-N114 PolarHBondContact O-N 3.19Å; S112-N114 PolarHBondContact OG-N 3.06Å; S112-D115 PolarHBondContact N-OD1 3.06Å; S112-Q116 WeakPolarHBondContact O-CB 3.22Å; S112-Q116 PolarHBondContact O-N 3.46Å; S112-G202 WeakPolarHBondContact CB-O 3.43Å; S112-A203 VanDerWaalsContact CB-CA 3.49Å; S112-A203 VanDerWaalsContact CB-N 3.31Å; S112-A203 WeakPolarHBondContact OG-CA 3.49Å | ||
| 113 | R | 96.6 | Very high | 97.8 | Very high | 44 Ų | 44 | 19.1 Ų | 19.1 | 17% | 0.166 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -62.9 | -26.4 | 165.3 | -67.7 | -54.7 | -167.9 | -145.6 | 0.7 | 112.3 | H89 E93 H108 V117 | H89-R113 VanDerWaalsContact C-NH2 3.26Å; H89-R113 PolarHBondContact O-NH2 3.25Å; E93-R113 IonicContact OE2-CZ 2.69Å; E93-R113 IonicContact OE2-NH1 3.08Å; E93-R113 IonicContact OE2-NH2 2.69Å; E93-R113 PolarHBondContact OE2-NH2 3.26Å; H108-R113 PolarHBondContact CE1-NH1 2.63Å; H108-R113 PolarHBondContact ND1-NH1 3.36Å; R113-V117 WeakPolarHBondContact O-CB 3.4Å; R113-V117 VanDerWaalsContact O-CG1 3.24Å; R113-V117 WeakPolarHBondContact O-CG1 3.47Å; R113-V117 PolarHBondContact O-N 2.95Å |
| 114 | N | 97.9 | Very high | 97.9 | Very high | 27 Ų | 27 | 19.8 Ų | 19.8 | 14% | 0.144 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -65.3 | -48.7 | -177.8 | -64.9 | -0.6 | 0 | 0 | 0 | 112.4 | S112 V118 A203 T233 Y321 | S112-N114 PolarHBondContact O-N 3.19Å; S112-N114 PolarHBondContact OG-N 3.06Å; N114-V118 VanDerWaalsContact O-CG2 3.3Å; N114-V118 WeakPolarHBondContact O-CG2 3.34Å; N114-A203 PolarHBondContact ND2-O 2.94Å; N114-T233 HydrophobicContact CB-CG2 4.04Å; N114-Y321 HydrophobicContact CB-CD2 4.37Å; N114-Y321 HydrophobicContact CB-CG 4.45Å; N114-Y321 WeakPolarHBondContact ND2-CB 3.47Å |
| 115 | D | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -81.4 | -28.3 | 177.8 | 69.4 | -37.6 | 0 | 0 | 0 | 112.6 | S112 T119 G200 S201 G202 T233 | S112-D115 PolarHBondContact N-OD1 3.06Å; D115-T119 WeakPolarHBondContact O-CB 3.33Å; D115-T119 PolarHBondContact O-N 3.39Å; D115-T119 VanDerWaalsContact O-N 3.09Å; D115-T119 PolarHBondContact O-OG1 2.95Å; D115-G200 PolarHBondContact OD2-N 2.93Å; D115-S201 PolarHBondContact OD2-N 3.41Å; D115-S201 VanDerWaalsContact OD2-N 3.12Å; D115-G202 WeakPolarHBondContact CB-O 3.47Å; D115-G202 VanDerWaalsContact CG-N 3.3Å; D115-G202 PolarHBondContact OD2-N 3.34Å; D115-T233 HydrophobicContact CB-CG2 4.06Å |
| 116 | Q | 98.7 | Very high | 98.1 | Very high | 2 Ų | 2 | 19.7 Ų | 19.7 | 1% | 0.009 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -62.5 | -54.1 | 174.4 | -177.8 | 174.7 | 7.2 | 0 | 0 | 112.1 | D38 H108 R111 S112 V118 T119 D120 | D38-Q116 PolarHBondContact OD1-NE2 3.42Å; H108-Q116 PolarHBondContact CE1-OE1 2.88Å; R111-Q116 HydrophobicContact CG-CB 4.46Å; S112-Q116 WeakPolarHBondContact O-CB 3.22Å; S112-Q116 PolarHBondContact O-N 3.46Å; Q116-V118 VanDerWaalsContact C-N 3.25Å; Q116-V118 PolarHBondContact O-N 3.44Å; Q116-T119 WeakPolarHBondContact O-CA 3.49Å; Q116-T119 VanDerWaalsContact O-CB 3.23Å; Q116-T119 WeakPolarHBondContact O-CB 3.35Å; Q116-T119 PolarHBondContact O-N 2.98Å; Q116-D120 PolarHBondContact O-N 3.49Å |
| 117 | V | 98.5 | Very high | 98.1 | Very high | 12 Ų | 12 | 21.3 Ų | 21.3 | 7% | 0.073 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -62.3 | -33.8 | -175.2 | 72.8 | 0 | 0 | 0 | 0 | 112.6 | R113 D120 L121 | R113-V117 WeakPolarHBondContact O-CB 3.4Å; R113-V117 VanDerWaalsContact O-CG1 3.24Å; R113-V117 WeakPolarHBondContact O-CG1 3.47Å; R113-V117 PolarHBondContact O-N 2.95Å; V117-D120 PolarHBondContact O-N 2.92Å; V117-L121 WeakPolarHBondContact O-CB 3.37Å; V117-L121 PolarHBondContact O-N 2.94Å |
| 118 | V | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -72.9 | -34.6 | 176.1 | -172.5 | 0 | 0 | 0 | 0 | 110.6 | N114 Q116 R122 P198 F238 | N114-V118 VanDerWaalsContact O-CG2 3.3Å; N114-V118 WeakPolarHBondContact O-CG2 3.34Å; Q116-V118 VanDerWaalsContact C-N 3.25Å; Q116-V118 PolarHBondContact O-N 3.44Å; V118-R122 HydrophobicContact CG1-CG 4.38Å; V118-R122 VanDerWaalsContact O-CB 3.3Å; V118-R122 WeakPolarHBondContact O-CB 3.5Å; V118-R122 VanDerWaalsContact O-CG 3.29Å; V118-R122 WeakPolarHBondContact O-CG 3.41Å; V118-R122 PolarHBondContact O-N 2.77Å; V118-P198 HydrophobicContact CB-CB 4.43Å; V118-P198 HydrophobicContact CB-CG 4.03Å; V118-P198 HydrophobicContact CG1-CB 4.22Å; V118-P198 HydrophobicContact CG1-CG 3.88Å; V118-F238 HydrophobicContact CG1-CE1 4.08Å; V118-F238 HydrophobicContact CG1-CZ 4.16Å |
| 119 | T | 98.9 | Very high | 98.3 | Very high | 1 Ų | 1 | 20 Ų | 20 | 1% | 0.006 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -61.1 | -48.3 | 172.3 | -56.5 | 0 | 0 | 0 | 0 | 110.5 | D115 Q116 R122 L123 L197 P198 L199 L220 | D115-T119 WeakPolarHBondContact O-CB 3.33Å; D115-T119 PolarHBondContact O-N 3.39Å; D115-T119 VanDerWaalsContact O-N 3.09Å; D115-T119 PolarHBondContact O-OG1 2.95Å; Q116-T119 WeakPolarHBondContact O-CA 3.49Å; Q116-T119 VanDerWaalsContact O-CB 3.23Å; Q116-T119 WeakPolarHBondContact O-CB 3.35Å; Q116-T119 PolarHBondContact O-N 2.98Å; T119-R122 PolarHBondContact O-N 3.46Å; T119-L123 HydrophobicContact CG2-CD1 4.01Å; T119-L123 HydrophobicContact CG2-CG 4.49Å; T119-L123 WeakPolarHBondContact O-CB 3.24Å; T119-L123 WeakPolarHBondContact O-CG 3.14Å; T119-L123 PolarHBondContact O-N 3.29Å; T119-L197 HydrophobicContact CG2-CD1 4.14Å; T119-P198 WeakPolarHBondContact OG1-CG 3.39Å; T119-L199 HydrophobicContact CG2-CB 4.02Å; T119-L199 HydrophobicContact CG2-CD2 4.47Å; T119-L199 WeakPolarHBondContact OG1-CA 3.45Å; T119-L199 VanDerWaalsContact OG1-CB 3.3Å; T119-L199 WeakPolarHBondContact OG1-CB 3.43Å; T119-L199 PolarHBondContact OG1-N 3.32Å; T119-L220 HydrophobicContact CG2-CD1 3.99Å |
| 120 | D | 98.9 | Very high | 98.3 | Very high | 1 Ų | 1 | 20.2 Ų | 20.2 | 1% | 0.005 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -65 | -46.4 | -177.8 | -61.7 | -21.3 | 0 | 0 | 0 | 110.7 | L34 V37 D38 H89 Q116 V117 R122 L123 W124 | L34-D120 HydrophobicContact CB-CB 4.49Å; L34-D120 HydrophobicContact CD1-CB 4.36Å; V37-D120 HydrophobicContact CG2-CB 3.98Å; V37-D120 WeakPolarHBondContact CG2-O 3.1Å; D38-D120 WeakPolarHBondContact CA-OD1 3.46Å; H89-D120 IonicContact CD2-OD2 3.96Å; H89-D120 PolarHBondContact CD2-OD2 3.21Å; H89-D120 IonicContact NE2-OD2 3.49Å; H89-D120 PolarHBondContact NE2-OD2 3.24Å; Q116-D120 PolarHBondContact O-N 3.49Å; V117-D120 PolarHBondContact O-N 2.92Å; D120-R122 PolarHBondContact O-N 2.62Å; D120-L123 PolarHBondContact O-N 3.33Å; D120-W124 WeakPolarHBondContact O-CB 3.36Å; D120-W124 PolarHBondContact O-N 2.91Å |
| 121 | L | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -63.1 | -42 | 177.8 | -172.7 | 60.5 | 0 | 0 | 0 | 112 | V117 W124 M125 F238 V239 D328 K329 V332 F333 | V117-L121 WeakPolarHBondContact O-CB 3.37Å; V117-L121 PolarHBondContact O-N 2.94Å; L121-W124 PolarHBondContact O-N 3.32Å; L121-M125 HydrophobicContact CD1-CG 4.27Å; L121-M125 HydrophobicContact CD1-SD 4.33Å; L121-M125 HydrophobicContact CG-CG 4.42Å; L121-M125 HydrophobicContact CG-SD 4.09Å; L121-M125 WeakPolarHBondContact O-CB 3.24Å; L121-M125 VanDerWaalsContact O-CG 3.25Å; L121-M125 WeakPolarHBondContact O-CG 3.45Å; L121-M125 PolarHBondContact O-N 2.96Å; L121-F238 HydrophobicContact CD2-CE2 4.02Å; L121-F238 HydrophobicContact CD2-CZ 3.97Å; L121-F238 HydrophobicContact CG-CE2 4.04Å; L121-F238 HydrophobicContact CG-CZ 4.33Å; L121-V239 HydrophobicContact CD2-CG2 4.01Å; L121-D328 HydrophobicContact CD2-CB 4.27Å; L121-D328 WeakPolarHBondContact CD2-OD2 3.4Å; L121-K329 HydrophobicContact CD1-CG 4.39Å; L121-V332 HydrophobicContact CD1-CB 4.48Å; L121-V332 HydrophobicContact CD1-CG1 4.31Å; L121-V332 HydrophobicContact CD1-CG2 4.49Å; L121-F333 HydrophobicContact CD1-CE1 4.37Å |
| 122 | R | 98.9 | Very high | 98.5 | Very high | 13 Ų | 13 | 22 Ų | 22 | 5% | 0.049 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -67.1 | -39.7 | 176.6 | -75 | 176.7 | 164.6 | -108.2 | -2 | 112.2 | V118 T119 D120 R126 R193 I194 V196 F222 E235 F238 | V118-R122 HydrophobicContact CG1-CG 4.38Å; V118-R122 VanDerWaalsContact O-CB 3.3Å; V118-R122 WeakPolarHBondContact O-CB 3.5Å; V118-R122 VanDerWaalsContact O-CG 3.29Å; V118-R122 WeakPolarHBondContact O-CG 3.41Å; V118-R122 PolarHBondContact O-N 2.77Å; T119-R122 PolarHBondContact O-N 3.46Å; D120-R122 PolarHBondContact O-N 2.62Å; R122-R126 VanDerWaalsContact O-CB 3.29Å; R122-R126 WeakPolarHBondContact O-CB 3.43Å; R122-R126 PolarHBondContact O-N 2.88Å; R122-R193 PolarHBondContact NH1-O 3.02Å; R122-I194 HydrophobicContact CB-CG2 4.41Å; R122-I194 PolarHBondContact NH1-O 2.84Å; R122-I194 WeakPolarHBondContact O-CG2 3.41Å; R122-V196 WeakPolarHBondContact CD-O 3.43Å; R122-V196 PolarHBondContact NH1-O 2.79Å; R122-V196 VanDerWaalsContact NH1-O 3.1Å; R122-F222 HydrophobicContact CB-CE1 4.16Å; R122-F222 HydrophobicContact CB-CZ 4.25Å; R122-E235 IonicContact CZ-OE1 3.43Å; R122-E235 IonicContact NE-OE1 2.7Å; R122-E235 IonicContact NH2-OE1 3.68Å; R122-E235 PolarHBondContact NH2-OE1 3.38Å; R122-E235 IonicContact NH2-OE2 3.56Å; R122-F238 HydrophobicContact CG-CD1 4.47Å; R122-F238 HydrophobicContact CG-CD2 3.97Å; R122-F238 HydrophobicContact CG-CE1 4.2Å; R122-F238 HydrophobicContact CG-CE2 3.65Å; R122-F238 HydrophobicContact CG-CG 4.37Å; R122-F238 HydrophobicContact CG-CZ 3.77Å |
| 123 | L | 98.8 | Very high | 98.5 | Very high | 2 Ų | 2 | 21 Ų | 21 | 1% | 0.01 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -59.8 | -48.4 | 173.3 | -84.4 | 170.5 | 0 | 0 | 0 | 111.1 | V37 T119 D120 R126 Q127 L220 F222 | V37-L123 HydrophobicContact CB-CB 3.78Å; V37-L123 HydrophobicContact CB-CD1 4.19Å; V37-L123 HydrophobicContact CG1-CB 3.74Å; T119-L123 HydrophobicContact CG2-CD1 4.01Å; T119-L123 HydrophobicContact CG2-CG 4.49Å; T119-L123 WeakPolarHBondContact O-CB 3.24Å; T119-L123 WeakPolarHBondContact O-CG 3.14Å; T119-L123 PolarHBondContact O-N 3.29Å; D120-L123 PolarHBondContact O-N 3.33Å; L123-R126 WeakPolarHBondContact O-CB 3.48Å; L123-R126 PolarHBondContact O-N 3.26Å; L123-Q127 PolarHBondContact O-N 3.35Å; L123-L220 HydrophobicContact CD1-CD1 4.4Å; L123-L220 HydrophobicContact CD1-CD2 4.23Å; L123-F222 HydrophobicContact CD1-CE2 4.49Å; L123-F222 HydrophobicContact CD2-CD2 4.49Å; L123-F222 HydrophobicContact CD2-CE2 3.55Å; L123-F222 HydrophobicContact CD2-CZ 3.94Å; L123-F222 HydrophobicContact CG-CE2 3.73Å; L123-F222 HydrophobicContact CG-CZ 3.81Å |
| 124 | W | 98.8 | Very high | 98.6 | Very high | 35 Ų | 35 | 20.6 Ų | 20.6 | 13% | 0.133 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -62.4 | -49.2 | 179 | -172.6 | 95.2 | 0 | 0 | 0 | 111.1 | L34 V37 D120 L121 R126 Q127 T128 V332 F333 S336 | L34-W124 HydrophobicContact CD2-CB 3.57Å; L34-W124 HydrophobicContact CD2-CD2 4.47Å; L34-W124 HydrophobicContact CD2-CG 3.65Å; V37-W124 HydrophobicContact CG1-CB 4.41Å; V37-W124 HydrophobicContact CG2-CB 4.17Å; D120-W124 WeakPolarHBondContact O-CB 3.36Å; D120-W124 PolarHBondContact O-N 2.91Å; L121-W124 PolarHBondContact O-N 3.32Å; W124-R126 VanDerWaalsContact C-N 3.29Å; W124-R126 PolarHBondContact O-N 3.31Å; W124-Q127 PolarHBondContact O-N 2.77Å; W124-Q127 VanDerWaalsContact O-N 3.12Å; W124-T128 HydrophobicContact CH2-CG2 3.72Å; W124-T128 VanDerWaalsContact CH2-OG1 3.23Å; W124-T128 WeakPolarHBondContact CH2-OG1 3.38Å; W124-T128 WeakPolarHBondContact CZ2-OG1 3.5Å; W124-T128 HydrophobicContact CZ3-CG2 3.73Å; W124-T128 WeakPolarHBondContact CZ3-OG1 3.29Å; W124-T128 PolarHBondContact O-N 3.35Å; W124-T128 PolarHBondContact O-OG1 3.2Å; W124-V332 HydrophobicContact CE3-CG1 4.02Å; W124-V332 HydrophobicContact CH2-CG1 4.41Å; W124-V332 HydrophobicContact CZ3-CG1 3.51Å; W124-F333 HydrophobicContact CD2-CD1 4.47Å; W124-F333 HydrophobicContact CD2-CE1 4.03Å; W124-F333 HydrophobicContact CE3-CD1 4.36Å; W124-F333 HydrophobicContact CE3-CE1 4.15Å; W124-F333 AromaticContact CH2-CD1 3.79Å; W124-F333 HydrophobicContact CH2-CD1 3.79Å; W124-F333 HydrophobicContact CH2-CE1 4.31Å; W124-F333 AromaticContact CZ2-CD1 3.88Å; W124-F333 HydrophobicContact CZ2-CD1 3.88Å; W124-F333 HydrophobicContact CZ2-CE1 4.17Å; W124-F333 HydrophobicContact CZ3-CD1 4.06Å; W124-F333 HydrophobicContact CZ3-CE1 4.31Å; W124-S336 WeakPolarHBondContact CH2-OG 3.28Å; W124-S336 WeakPolarHBondContact CZ3-OG 3.21Å |
| 125 | M | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.005 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -63.3 | -34.5 | 178.9 | -73.5 | -177.3 | 73.1 | 0 | 0 | 112.3 | L121 Q127 T128 C129 I194 F238 V239 F242 V332 | L121-M125 HydrophobicContact CD1-CG 4.27Å; L121-M125 HydrophobicContact CD1-SD 4.33Å; L121-M125 HydrophobicContact CG-CG 4.42Å; L121-M125 HydrophobicContact CG-SD 4.09Å; L121-M125 WeakPolarHBondContact O-CB 3.24Å; L121-M125 VanDerWaalsContact O-CG 3.25Å; L121-M125 WeakPolarHBondContact O-CG 3.45Å; L121-M125 PolarHBondContact O-N 2.96Å; M125-Q127 VanDerWaalsContact C-N 3.32Å; M125-Q127 PolarHBondContact O-N 3.36Å; M125-T128 PolarHBondContact O-N 2.73Å; M125-C129 WeakPolarHBondContact O-CB 3.3Å; M125-C129 PolarHBondContact O-N 3.21Å; M125-C129 PolarHBondContact O-SG 3.03Å; M125-I194 HydrophobicContact CB-CD1 4.22Å; M125-I194 HydrophobicContact CB-CG2 4.12Å; M125-I194 HydrophobicContact CE-CD1 4.05Å; M125-F238 HydrophobicContact CE-CD2 4.15Å; M125-F238 HydrophobicContact SD-CD2 3.57Å; M125-F238 VanDerWaalsContact SD-CD2 3.57Å; M125-F238 HydrophobicContact SD-CE2 3.5Å; M125-F238 WeakPolarHBondContact SD-CE2 3.44Å; M125-V239 HydrophobicContact SD-CG2 4.24Å; M125-F242 HydrophobicContact CE-CB 3.49Å; M125-F242 VanDerWaalsContact CE-CB 3.49Å; M125-F242 HydrophobicContact CE-CD1 3.89Å; M125-F242 HydrophobicContact CE-CD2 4.18Å; M125-F242 HydrophobicContact CE-CG 3.58Å; M125-V332 HydrophobicContact CE-CG1 4.41Å; M125-V332 HydrophobicContact CE-CG2 4.26Å; M125-V332 HydrophobicContact CG-CG1 3.79Å; M125-V332 HydrophobicContact SD-CG1 4.03Å; M125-V332 HydrophobicContact SD-CG2 3.93Å |
| 126 | R | 98.6 | Very high | 98.7 | Very high | 53 Ų | 53 | 21 Ų | 21 | 20% | 0.2 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -59.4 | -43.6 | 174.3 | -179 | -176.1 | 69.2 | -177.2 | 0.7 | 111.4 | R122 L123 W124 S130 I194 N195 L220 N221 | R122-R126 VanDerWaalsContact O-CB 3.29Å; R122-R126 WeakPolarHBondContact O-CB 3.43Å; R122-R126 PolarHBondContact O-N 2.88Å; L123-R126 WeakPolarHBondContact O-CB 3.48Å; L123-R126 PolarHBondContact O-N 3.26Å; W124-R126 VanDerWaalsContact C-N 3.29Å; W124-R126 PolarHBondContact O-N 3.31Å; R126-S130 PolarHBondContact O-N 2.88Å; R126-I194 HydrophobicContact CB-CG2 4.19Å; R126-N195 VanDerWaalsContact CD-OD1 3.26Å; R126-N195 WeakPolarHBondContact CD-OD1 3.33Å; R126-L220 PolarHBondContact NH1-O 2.87Å; R126-L220 PolarHBondContact NH2-O 2.83Å; R126-N221 PolarHBondContact NH1-O 3.42Å |
| 127 | Q | 98 | Very high | 98.7 | Very high | 95 Ų | 95 | 22.8 Ų | 22.8 | 44% | 0.444 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -69.2 | -50.8 | 177.3 | -176.7 | 177.1 | -0.2 | 0 | 0 | 111 | L123 W124 M125 C129 S130 T131 | L123-Q127 PolarHBondContact O-N 3.35Å; W124-Q127 PolarHBondContact O-N 2.77Å; W124-Q127 VanDerWaalsContact O-N 3.12Å; M125-Q127 VanDerWaalsContact C-N 3.32Å; M125-Q127 PolarHBondContact O-N 3.36Å; Q127-C129 PolarHBondContact O-N 3.49Å; Q127-S130 WeakPolarHBondContact O-CA 3.38Å; Q127-S130 VanDerWaalsContact O-CB 3.22Å; Q127-S130 WeakPolarHBondContact O-CB 3.38Å; Q127-S130 PolarHBondContact O-N 3.26Å; Q127-T131 PolarHBondContact O-N 3.12Å; Q127-T131 VanDerWaalsContact O-N 3.13Å |
| 128 | T | 98.6 | Very high | 98.7 | Very high | 20 Ų | 20 | 25.8 Ų | 25.8 | 12% | 0.123 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -59.5 | -44.6 | -179.7 | -61.1 | 0 | 0 | 0 | 0 | 112.2 | W124 M125 S130 T131 L132 | W124-T128 HydrophobicContact CH2-CG2 3.72Å; W124-T128 VanDerWaalsContact CH2-OG1 3.23Å; W124-T128 WeakPolarHBondContact CH2-OG1 3.38Å; W124-T128 WeakPolarHBondContact CZ2-OG1 3.5Å; W124-T128 HydrophobicContact CZ3-CG2 3.73Å; W124-T128 WeakPolarHBondContact CZ3-OG1 3.29Å; W124-T128 PolarHBondContact O-N 3.35Å; W124-T128 PolarHBondContact O-OG1 3.2Å; M125-T128 PolarHBondContact O-N 2.73Å; T128-S130 PolarHBondContact O-N 2.93Å; T128-T131 PolarHBondContact O-N 3.25Å; T128-T131 VanDerWaalsContact O-N 3.16Å; T128-L132 HydrophobicContact CG2-CD1 4.05Å; T128-L132 HydrophobicContact CG2-CG 4.41Å; T128-L132 WeakPolarHBondContact O-CG 3.42Å; T128-L132 PolarHBondContact O-N 2.86Å |
| 129 | C | 98.6 | Very high | 98.7 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64.9 | -27.7 | 176.6 | -68.1 | 0 | 0 | 0 | 0 | 112.3 | M125 Q127 S133 L187 R191 | M125-C129 WeakPolarHBondContact O-CB 3.3Å; M125-C129 PolarHBondContact O-N 3.21Å; M125-C129 PolarHBondContact O-SG 3.03Å; Q127-C129 PolarHBondContact O-N 3.49Å; C129-S133 WeakPolarHBondContact O-CB 3.3Å; C129-S133 PolarHBondContact O-N 3.28Å; C129-S133 PolarHBondContact O-OG 3.31Å; C129-L187 HydrophobicContact CB-CD1 4.08Å; C129-R191 HydrophobicContact CB-CG 3.52Å |
| 130 | S | 98 | Very high | 98.7 | Very high | 56 Ų | 56 | 25.8 Ų | 25.8 | 39% | 0.392 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -66.6 | -46.3 | 172.5 | -161.9 | 0 | 0 | 0 | 0 | 111.3 | R126 Q127 T128 S133 G134 R191 | R126-S130 PolarHBondContact O-N 2.88Å; Q127-S130 WeakPolarHBondContact O-CA 3.38Å; Q127-S130 VanDerWaalsContact O-CB 3.22Å; Q127-S130 WeakPolarHBondContact O-CB 3.38Å; Q127-S130 PolarHBondContact O-N 3.26Å; T128-S130 PolarHBondContact O-N 2.93Å; S130-S133 WeakPolarHBondContact O-CB 3.45Å; S130-S133 PolarHBondContact O-N 3.18Å; S130-G134 PolarHBondContact O-N 3.27Å; S130-G134 VanDerWaalsContact O-N 3.15Å; S130-R191 PolarHBondContact OG-NH2 3.14Å |
| 131 | T | 98.5 | Very high | 98.7 | Very high | 80 Ų | 80 | 29.8 Ų | 29.8 | 49% | 0.491 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -60.8 | -47.3 | 174.6 | -57.3 | 0 | 0 | 0 | 0 | 111.3 | Q127 T128 S133 G134 L135 | Q127-T131 PolarHBondContact O-N 3.12Å; Q127-T131 VanDerWaalsContact O-N 3.13Å; T128-T131 PolarHBondContact O-N 3.25Å; T128-T131 VanDerWaalsContact O-N 3.16Å; T131-S133 VanDerWaalsContact C-N 3.29Å; T131-S133 PolarHBondContact O-N 3.19Å; T131-G134 PolarHBondContact O-N 3.3Å; T131-G134 VanDerWaalsContact O-N 3.09Å; T131-L135 HydrophobicContact CG2-CD1 4.28Å; T131-L135 HydrophobicContact CG2-CG 4.45Å; T131-L135 WeakPolarHBondContact O-CG 3.15Å; T131-L135 PolarHBondContact O-N 3.06Å |
| 132 | L | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60.7 | -36.6 | 177.5 | -70.9 | 173.1 | 0 | 0 | 0 | 112.6 | T128 L135 L136 L187 F242 W245 M339 S340 L343 | T128-L132 HydrophobicContact CG2-CD1 4.05Å; T128-L132 HydrophobicContact CG2-CG 4.41Å; T128-L132 WeakPolarHBondContact O-CG 3.42Å; T128-L132 PolarHBondContact O-N 2.86Å; L132-L135 PolarHBondContact O-N 3.46Å; L132-L136 VanDerWaalsContact O-CB 3.32Å; L132-L136 WeakPolarHBondContact O-CB 3.37Å; L132-L136 PolarHBondContact O-N 3.02Å; L132-L187 HydrophobicContact CB-CD2 4.08Å; L132-F242 HydrophobicContact CD1-CE2 3.79Å; L132-F242 HydrophobicContact CD1-CZ 4.06Å; L132-W245 HydrophobicContact CB-CH2 4.22Å; L132-W245 HydrophobicContact CD1-CH2 3.96Å; L132-W245 HydrophobicContact CD1-CZ3 3.97Å; L132-M339 HydrophobicContact CD1-CB 4.5Å; L132-M339 HydrophobicContact CD2-CB 3.73Å; L132-S340 WeakPolarHBondContact CD2-OG 3.45Å; L132-L343 HydrophobicContact CD2-CD1 4.1Å |
| 133 | S | 98.7 | Very high | 98.7 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.1 | -47.1 | 173.5 | -56 | 0 | 0 | 0 | 0 | 110.6 | C129 S130 T131 L136 W137 L187 R191 | C129-S133 WeakPolarHBondContact O-CB 3.3Å; C129-S133 PolarHBondContact O-N 3.28Å; C129-S133 PolarHBondContact O-OG 3.31Å; S130-S133 WeakPolarHBondContact O-CB 3.45Å; S130-S133 PolarHBondContact O-N 3.18Å; T131-S133 VanDerWaalsContact C-N 3.29Å; T131-S133 PolarHBondContact O-N 3.19Å; S133-L136 PolarHBondContact O-N 2.76Å; S133-W137 VanDerWaalsContact O-CD2 3.25Å; S133-W137 VanDerWaalsContact O-CG 3.24Å; S133-W137 PolarHBondContact O-N 2.98Å; S133-L187 WeakPolarHBondContact OG-CD2 3.29Å; S133-R191 PolarHBondContact OG-NH1 3.46Å; S133-R191 VanDerWaalsContact OG-NH1 3.14Å |
| 134 | G | 98.5 | Very high | 98.7 | Very high | 35 Ų | 35 | 30 Ų | 30 | 36% | 0.361 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -60.5 | -46.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | S130 T131 L136 W137 E138 | S130-G134 PolarHBondContact O-N 3.27Å; S130-G134 VanDerWaalsContact O-N 3.15Å; T131-G134 PolarHBondContact O-N 3.3Å; T131-G134 VanDerWaalsContact O-N 3.09Å; G134-L136 VanDerWaalsContact C-N 3.34Å; G134-L136 PolarHBondContact O-N 3.38Å; G134-W137 PolarHBondContact O-N 3.31Å; G134-E138 PolarHBondContact O-N 3.4Å |
| 135 | L | 98.9 | Very high | 98.7 | Very high | 35 Ų | 35 | 31.4 Ų | 31.4 | 18% | 0.183 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.6 | -39.9 | 177.4 | -66 | 178.3 | 0 | 0 | 0 | 112.3 | T131 L132 E138 L139 L343 Q344 | T131-L135 HydrophobicContact CG2-CD1 4.28Å; T131-L135 HydrophobicContact CG2-CG 4.45Å; T131-L135 WeakPolarHBondContact O-CG 3.15Å; T131-L135 PolarHBondContact O-N 3.06Å; L132-L135 PolarHBondContact O-N 3.46Å; L135-E138 PolarHBondContact O-N 3.5Å; L135-L139 PolarHBondContact O-N 3.31Å; L135-L139 VanDerWaalsContact O-N 3.13Å; L135-L343 HydrophobicContact CB-CB 4.09Å; L135-L343 HydrophobicContact CB-CD1 4.03Å; L135-Q344 HydrophobicContact CD1-CG 4.25Å; L135-Q344 HydrophobicContact CD2-CG 3.72Å |
| 136 | L | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -68.1 | -41.3 | 177.1 | -178.4 | 56.8 | 0 | 0 | 0 | 111.6 | L132 S133 G134 E138 L139 I140 L180 D183 L343 | L132-L136 VanDerWaalsContact O-CB 3.32Å; L132-L136 WeakPolarHBondContact O-CB 3.37Å; L132-L136 PolarHBondContact O-N 3.02Å; S133-L136 PolarHBondContact O-N 2.76Å; G134-L136 VanDerWaalsContact C-N 3.34Å; G134-L136 PolarHBondContact O-N 3.38Å; L136-E138 VanDerWaalsContact C-N 3.33Å; L136-E138 PolarHBondContact O-N 2.97Å; L136-L139 PolarHBondContact O-N 3.46Å; L136-I140 HydrophobicContact CD1-CD1 4.23Å; L136-I140 HydrophobicContact CD1-CG1 4.41Å; L136-I140 HydrophobicContact CG-CD1 4.02Å; L136-I140 VanDerWaalsContact O-CG1 3.27Å; L136-I140 WeakPolarHBondContact O-CG1 3.36Å; L136-I140 PolarHBondContact O-N 2.67Å; L136-L180 HydrophobicContact CD1-CB 4.12Å; L136-L180 HydrophobicContact CD1-CD2 4.05Å; L136-D183 HydrophobicContact CD2-CB 4.34Å; L136-L343 HydrophobicContact CB-CD1 4.34Å; L136-L343 HydrophobicContact CB-CD2 4.45Å; L136-L343 HydrophobicContact CD1-CD2 3.85Å |
| 137 | W | 98.8 | Very high | 98.7 | Very high | 39 Ų | 39 | 30.1 Ų | 30.1 | 15% | 0.148 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.6 | -37.6 | 174.4 | -67.2 | -32.6 | 0 | 0 | 0 | 112.7 | S133 G134 I140 R141 S184 L188 L459 Q462 Q463 | S133-W137 VanDerWaalsContact O-CD2 3.25Å; S133-W137 VanDerWaalsContact O-CG 3.24Å; S133-W137 PolarHBondContact O-N 2.98Å; G134-W137 PolarHBondContact O-N 3.31Å; W137-I140 PolarHBondContact O-N 2.95Å; W137-R141 VanDerWaalsContact O-CB 3.31Å; W137-R141 WeakPolarHBondContact O-CB 3.44Å; W137-R141 PolarHBondContact O-N 3.33Å; W137-S184 PolarHBondContact NE1-OG 3.47Å; W137-L188 HydrophobicContact CZ2-CD1 4.38Å; W137-L188 HydrophobicContact CZ2-CD2 4.12Å; W137-L459 HydrophobicContact CB-CD2 4.42Å; W137-L459 VanDerWaalsContact CD1-CD2 3.48Å; W137-L459 HydrophobicContact CG-CD2 4.19Å; W137-Q462 HydrophobicContact CZ2-CB 4.01Å; W137-Q462 VanDerWaalsContact CZ2-O 3.3Å; W137-Q462 WeakPolarHBondContact CZ2-O 3.48Å; W137-Q462 VanDerWaalsContact NE1-OE1 3.09Å; W137-Q463 HydrophobicContact CD2-CG 4.48Å; W137-Q463 HydrophobicContact CE3-CG 4.21Å; W137-Q463 HydrophobicContact CH2-CG 4.35Å; W137-Q463 HydrophobicContact CZ3-CG 4.15Å |
| 138 | E | 98.8 | Very high | 98.8 | Very high | 76 Ų | 76 | 28.8 Ų | 28.8 | 36% | 0.355 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -59.1 | -47.9 | 173.7 | -178.8 | 68 | -123.4 | 0 | 0 | 111.5 | G134 L135 L136 R141 T142 T347 | G134-E138 PolarHBondContact O-N 3.4Å; L135-E138 PolarHBondContact O-N 3.5Å; L136-E138 VanDerWaalsContact C-N 3.33Å; L136-E138 PolarHBondContact O-N 2.97Å; E138-R141 VanDerWaalsContact CD-NH1 3.33Å; E138-R141 PolarHBondContact O-N 2.72Å; E138-R141 IonicContact OE1-CZ 3.82Å; E138-R141 IonicContact OE1-NH1 3.63Å; E138-R141 PolarHBondContact OE1-NH1 3.17Å; E138-R141 IonicContact OE1-NH2 2.69Å; E138-R141 PolarHBondContact OE1-NH2 3.13Å; E138-R141 IonicContact OE2-CZ 3.34Å; E138-R141 IonicContact OE2-NH1 3.43Å; E138-R141 PolarHBondContact OE2-NH1 3.39Å; E138-R141 IonicContact OE2-NH2 3.56Å; E138-R141 PolarHBondContact OE2-NH2 3.01Å; E138-T142 WeakPolarHBondContact O-CB 3.43Å; E138-T142 PolarHBondContact O-N 3.27Å; E138-T142 PolarHBondContact O-OG1 3.13Å; E138-T347 HydrophobicContact CG-CG2 3.92Å |
| 139 | L | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -58.2 | -51.4 | 176.2 | 175.9 | 56.8 | 0 | 0 | 0 | 111.2 | L135 L136 R141 T142 M143 L180 L253 L343 A346 T347 I350 | L135-L139 PolarHBondContact O-N 3.31Å; L135-L139 VanDerWaalsContact O-N 3.13Å; L136-L139 PolarHBondContact O-N 3.46Å; L139-R141 PolarHBondContact O-N 3.15Å; L139-T142 PolarHBondContact O-N 3.04Å; L139-M143 HydrophobicContact CD1-CG 4.19Å; L139-M143 HydrophobicContact CD1-SD 3.99Å; L139-M143 HydrophobicContact CG-SD 4.01Å; L139-M143 VanDerWaalsContact O-CG 3.26Å; L139-M143 WeakPolarHBondContact O-CG 3.47Å; L139-M143 PolarHBondContact O-N 3.01Å; L139-L180 HydrophobicContact CD2-CD1 3.74Å; L139-L180 HydrophobicContact CG-CD1 4.09Å; L139-L253 HydrophobicContact CD2-CD2 3.93Å; L139-L343 HydrophobicContact CD2-CD2 4Å; L139-A346 HydrophobicContact CD1-CB 4.19Å; L139-A346 HydrophobicContact CD2-CB 4.06Å; L139-T347 WeakPolarHBondContact CB-OG1 3.35Å; L139-I350 HydrophobicContact CD1-CG2 3.87Å |
| 140 | I | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.5 | -45.8 | -178.2 | -61.9 | 162.4 | 0 | 0 | 0 | 110.4 | L136 W137 T142 M143 V144 A177 L180 T181 V455 L459 | L136-I140 HydrophobicContact CD1-CD1 4.23Å; L136-I140 HydrophobicContact CD1-CG1 4.41Å; L136-I140 HydrophobicContact CG-CD1 4.02Å; L136-I140 VanDerWaalsContact O-CG1 3.27Å; L136-I140 WeakPolarHBondContact O-CG1 3.36Å; L136-I140 PolarHBondContact O-N 2.67Å; W137-I140 PolarHBondContact O-N 2.95Å; I140-T142 PolarHBondContact O-N 2.69Å; I140-M143 WeakPolarHBondContact O-CB 3.15Å; I140-M143 PolarHBondContact O-N 2.83Å; I140-V144 HydrophobicContact CG2-CG2 4.32Å; I140-V144 VanDerWaalsContact O-CG2 3.26Å; I140-V144 WeakPolarHBondContact O-CG2 3.5Å; I140-V144 PolarHBondContact O-N 3.19Å; I140-A177 HydrophobicContact CG2-CB 4.4Å; I140-L180 HydrophobicContact CD1-CB 4.01Å; I140-L180 HydrophobicContact CG1-CB 3.73Å; I140-T181 HydrophobicContact CD1-CG2 4.19Å; I140-T181 HydrophobicContact CG2-CG2 3.9Å; I140-V455 HydrophobicContact CG2-CG1 3.86Å; I140-L459 HydrophobicContact CB-CD1 4.34Å; I140-L459 HydrophobicContact CB-CD2 4.19Å; I140-L459 HydrophobicContact CD1-CD2 4.13Å; I140-L459 HydrophobicContact CG2-CD1 3.86Å; I140-L459 HydrophobicContact CG2-CD2 4.01Å; I140-L459 HydrophobicContact CG2-CG 4.21Å |
| 141 | R | 98.8 | Very high | 98.8 | Very high | 85 Ų | 85 | 33.7 Ų | 33.7 | 32% | 0.321 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -61.3 | -45 | 178.2 | 173.9 | 169.8 | 35.7 | 65 | 2.7 | 111.4 | W137 E138 L139 M143 V144 D145 L459 | W137-R141 VanDerWaalsContact O-CB 3.31Å; W137-R141 WeakPolarHBondContact O-CB 3.44Å; W137-R141 PolarHBondContact O-N 3.33Å; E138-R141 VanDerWaalsContact CD-NH1 3.33Å; E138-R141 PolarHBondContact O-N 2.72Å; E138-R141 IonicContact OE1-CZ 3.82Å; E138-R141 IonicContact OE1-NH1 3.63Å; E138-R141 PolarHBondContact OE1-NH1 3.17Å; E138-R141 IonicContact OE1-NH2 2.69Å; E138-R141 PolarHBondContact OE1-NH2 3.13Å; E138-R141 IonicContact OE2-CZ 3.34Å; E138-R141 IonicContact OE2-NH1 3.43Å; E138-R141 PolarHBondContact OE2-NH1 3.39Å; E138-R141 IonicContact OE2-NH2 3.56Å; E138-R141 PolarHBondContact OE2-NH2 3.01Å; L139-R141 PolarHBondContact O-N 3.15Å; R141-M143 VanDerWaalsContact C-N 3.3Å; R141-M143 PolarHBondContact O-N 3.07Å; R141-V144 PolarHBondContact O-N 2.95Å; R141-V144 VanDerWaalsContact O-N 3.14Å; R141-D145 VanDerWaalsContact CG-OD2 3.31Å; R141-D145 WeakPolarHBondContact CG-OD2 3.23Å; R141-D145 WeakPolarHBondContact O-CB 3.4Å; R141-D145 PolarHBondContact O-N 2.8Å; R141-L459 HydrophobicContact CB-CD1 4.29Å |
| 142 | T | 98.9 | Very high | 98.8 | Very high | 18 Ų | 18 | 34.2 Ų | 34.2 | 11% | 0.11 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -57.6 | -44.4 | 176.6 | -59.2 | 0 | 0 | 0 | 0 | 111.4 | E138 L139 I140 D145 R146 I350 | E138-T142 WeakPolarHBondContact O-CB 3.43Å; E138-T142 PolarHBondContact O-N 3.27Å; E138-T142 PolarHBondContact O-OG1 3.13Å; L139-T142 PolarHBondContact O-N 3.04Å; I140-T142 PolarHBondContact O-N 2.69Å; T142-D145 PolarHBondContact O-N 3.43Å; T142-R146 WeakPolarHBondContact O-CB 3.32Å; T142-R146 PolarHBondContact O-N 3.13Å; T142-I350 HydrophobicContact CG2-CG2 3.91Å |
| 143 | M | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.9 | -44.8 | 176 | -68.4 | 172.6 | 80.7 | 0 | 0 | 111.7 | L139 I140 R141 A147 I173 H176 A177 L180 M256 I350 | L139-M143 HydrophobicContact CD1-CG 4.19Å; L139-M143 HydrophobicContact CD1-SD 3.99Å; L139-M143 HydrophobicContact CG-SD 4.01Å; L139-M143 VanDerWaalsContact O-CG 3.26Å; L139-M143 WeakPolarHBondContact O-CG 3.47Å; L139-M143 PolarHBondContact O-N 3.01Å; I140-M143 WeakPolarHBondContact O-CB 3.15Å; I140-M143 PolarHBondContact O-N 2.83Å; R141-M143 VanDerWaalsContact C-N 3.3Å; R141-M143 PolarHBondContact O-N 3.07Å; M143-A147 VanDerWaalsContact O-CB 3.28Å; M143-A147 WeakPolarHBondContact O-CB 3.49Å; M143-A147 PolarHBondContact O-N 3.41Å; M143-I173 HydrophobicContact CB-CG2 3.72Å; M143-I173 HydrophobicContact CE-CG2 4.28Å; M143-I173 HydrophobicContact CG-CG2 4.36Å; M143-I173 VanDerWaalsContact O-CG2 3.23Å; M143-I173 WeakPolarHBondContact O-CG2 3.29Å; M143-H176 HydrophobicContact CE-CB 3.46Å; M143-H176 VanDerWaalsContact CE-CB 3.46Å; M143-A177 HydrophobicContact CB-CB 4.08Å; M143-A177 HydrophobicContact CE-CB 4.16Å; M143-A177 HydrophobicContact SD-CB 4.31Å; M143-L180 HydrophobicContact CE-CD1 4.42Å; M143-L180 HydrophobicContact SD-CD1 3.71Å; M143-M256 HydrophobicContact CE-SD 4.05Å; M143-I350 HydrophobicContact CG-CG1 4.04Å; M143-I350 HydrophobicContact CG-CG2 4.15Å |
| 144 | V | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -67 | -41.4 | -180 | 173.5 | 0 | 0 | 0 | 0 | 111.8 | I140 R141 A147 E148 L174 A177 I452 V455 R456 | I140-V144 HydrophobicContact CG2-CG2 4.32Å; I140-V144 VanDerWaalsContact O-CG2 3.26Å; I140-V144 WeakPolarHBondContact O-CG2 3.5Å; I140-V144 PolarHBondContact O-N 3.19Å; R141-V144 PolarHBondContact O-N 2.95Å; R141-V144 VanDerWaalsContact O-N 3.14Å; V144-A147 PolarHBondContact O-N 3.34Å; V144-E148 PolarHBondContact O-N 3.21Å; V144-L174 HydrophobicContact CG2-CD2 4.21Å; V144-A177 HydrophobicContact CG2-CB 4.4Å; V144-I452 HydrophobicContact CG1-CB 4.49Å; V144-I452 HydrophobicContact CG1-CG2 3.86Å; V144-V455 HydrophobicContact CG2-CB 4.11Å; V144-V455 HydrophobicContact CG2-CG1 3.5Å; V144-V455 VanDerWaalsContact CG2-CG1 3.5Å; V144-R456 HydrophobicContact CG1-CG 4.01Å |
| 145 | D | 98.9 | Very high | 98.8 | Very high | 65 Ų | 65 | 34.5 Ų | 34.5 | 35% | 0.348 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -64.2 | -44.1 | 178.4 | -67.1 | -22.4 | 0 | 0 | 0 | 110.8 | R141 T142 E148 A149 R456 | R141-D145 VanDerWaalsContact CG-OD2 3.31Å; R141-D145 WeakPolarHBondContact CG-OD2 3.23Å; R141-D145 WeakPolarHBondContact O-CB 3.4Å; R141-D145 PolarHBondContact O-N 2.8Å; T142-D145 PolarHBondContact O-N 3.43Å; D145-E148 PolarHBondContact O-N 2.75Å; D145-A149 PolarHBondContact O-N 3.45Å; D145-R456 IonicContact OD1-CZ 3.06Å; D145-R456 IonicContact OD1-NH1 3.54Å; D145-R456 PolarHBondContact OD1-NH1 3.06Å; D145-R456 IonicContact OD1-NH2 2.76Å; D145-R456 PolarHBondContact OD1-NH2 3.44Å |
| 146 | R | 98.8 | Very high | 98.8 | Very high | 27 Ų | 27 | 32.8 Ų | 32.8 | 10% | 0.102 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.8 | -46.2 | 172.2 | -179.5 | -168.7 | -93.9 | -89.7 | -1.8 | 111.3 | T142 E148 A149 E150 I173 I350 L353 | T142-R146 WeakPolarHBondContact O-CB 3.32Å; T142-R146 PolarHBondContact O-N 3.13Å; R146-E148 PolarHBondContact O-N 2.92Å; R146-A149 PolarHBondContact O-N 3.03Å; R146-A149 VanDerWaalsContact O-N 3.08Å; R146-E150 WeakPolarHBondContact CD-OE2 3.21Å; R146-E150 HydrophobicContact CG-CG 4.17Å; R146-E150 WeakPolarHBondContact CG-OE2 3.47Å; R146-E150 IonicContact CZ-OE1 3.74Å; R146-E150 IonicContact CZ-OE2 3.17Å; R146-E150 IonicContact NE-OE2 3.77Å; R146-E150 IonicContact NH1-OE1 3.94Å; R146-E150 PolarHBondContact NH1-OE1 3.39Å; R146-E150 IonicContact NH1-OE2 3.58Å; R146-E150 PolarHBondContact NH1-OE2 3.1Å; R146-E150 WeakPolarHBondContact O-CB 3.48Å; R146-E150 PolarHBondContact O-N 3.17Å; R146-I173 HydrophobicContact CB-CD1 4.45Å; R146-I173 HydrophobicContact CG-CD1 3.84Å; R146-I350 VanDerWaalsContact CZ-O 3.23Å; R146-I350 PolarHBondContact NE-O 2.99Å; R146-I350 PolarHBondContact NH2-O 2.87Å; R146-L353 PolarHBondContact NH2-O 3.01Å |
| 147 | A | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -57.7 | -37.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | M143 V144 R151 S170 I173 L174 | M143-A147 VanDerWaalsContact O-CB 3.28Å; M143-A147 WeakPolarHBondContact O-CB 3.49Å; M143-A147 PolarHBondContact O-N 3.41Å; V144-A147 PolarHBondContact O-N 3.34Å; A147-R151 WeakPolarHBondContact O-CG 3.41Å; A147-R151 PolarHBondContact O-N 3.1Å; A147-S170 WeakPolarHBondContact O-CB 3.4Å; A147-S170 PolarHBondContact O-OG 3.43Å; A147-I173 HydrophobicContact CB-CB 4.15Å; A147-I173 HydrophobicContact CB-CD1 4.43Å; A147-I173 HydrophobicContact CB-CG2 4.08Å; A147-L174 HydrophobicContact CB-CD1 4.36Å; A147-L174 HydrophobicContact CB-CD2 4.12Å; A147-L174 HydrophobicContact CB-CG 3.88Å |
| 148 | E | 98.8 | Very high | 98.8 | Very high | 68 Ų | 68 | 33.5 Ų | 33.5 | 32% | 0.318 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -68.6 | -39.6 | 175.2 | -172.2 | 168.5 | -168.7 | 0 | 0 | 113.1 | V144 D145 R146 R151 I452 R456 | V144-E148 PolarHBondContact O-N 3.21Å; D145-E148 PolarHBondContact O-N 2.75Å; R146-E148 PolarHBondContact O-N 2.92Å; E148-R151 VanDerWaalsContact CG-NH2 3.35Å; E148-R151 WeakPolarHBondContact O-CG 3.43Å; E148-R151 PolarHBondContact O-NE 3.08Å; E148-R151 PolarHBondContact O-NH2 3.32Å; E148-R151 IonicContact OE1-NH2 3.56Å; E148-I452 HydrophobicContact CB-CD1 3.92Å; E148-I452 HydrophobicContact CG-CD1 4.31Å; E148-R456 IonicContact OE2-CZ 3.68Å; E148-R456 IonicContact OE2-NE 3.68Å; E148-R456 IonicContact OE2-NH2 3.53Å; E148-R456 PolarHBondContact OE2-NH2 2.93Å |
| 149 | A | 98.7 | Very high | 98.8 | Very high | 86 Ų | 86 | 34 Ų | 34 | 71% | 0.711 | 18% | 0.18 | S | C | * | . | H | α-helix | trans | -69 | -33.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | D145 R146 | D145-A149 PolarHBondContact O-N 3.45Å; R146-A149 PolarHBondContact O-N 3.03Å; R146-A149 VanDerWaalsContact O-N 3.08Å |
| 150 | E | 98.8 | Very high | 98.7 | Very high | 38 Ų | 38 | 42.7 Ų | 42.7 | 18% | 0.178 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106 | 18.7 | -170.5 | -57.7 | -178.5 | 149 | 0 | 0 | 113.4 | R146 D152 V153 W169 S170 I355 | R146-E150 WeakPolarHBondContact CD-OE2 3.21Å; R146-E150 HydrophobicContact CG-CG 4.17Å; R146-E150 WeakPolarHBondContact CG-OE2 3.47Å; R146-E150 IonicContact CZ-OE1 3.74Å; R146-E150 IonicContact CZ-OE2 3.17Å; R146-E150 IonicContact NE-OE2 3.77Å; R146-E150 IonicContact NH1-OE1 3.94Å; R146-E150 PolarHBondContact NH1-OE1 3.39Å; R146-E150 IonicContact NH1-OE2 3.58Å; R146-E150 PolarHBondContact NH1-OE2 3.1Å; R146-E150 WeakPolarHBondContact O-CB 3.48Å; R146-E150 PolarHBondContact O-N 3.17Å; E150-D152 PolarHBondContact O-N 3.17Å; E150-V153 HydrophobicContact CB-CG2 4.38Å; E150-V153 PolarHBondContact O-N 2.98Å; E150-V153 VanDerWaalsContact O-N 3.09Å; E150-W169 PolarHBondContact OE2-NE1 2.69Å; E150-S170 PolarHBondContact O-OG 3.04Å; E150-S170 VanDerWaalsContact O-OG 3.11Å; E150-I355 HydrophobicContact CG-CD1 4.36Å |
| 151 | R | 98.4 | Very high | 98.7 | Very high | 54 Ų | 54 | 47.6 Ų | 47.6 | 20% | 0.204 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | -31.8 | -173.6 | -77.4 | 176.8 | -74.9 | -172.1 | -11 | 114.8 | A147 E148 R168 S170 V448 D449 I452 | A147-R151 WeakPolarHBondContact O-CG 3.41Å; A147-R151 PolarHBondContact O-N 3.1Å; E148-R151 VanDerWaalsContact CG-NH2 3.35Å; E148-R151 WeakPolarHBondContact O-CG 3.43Å; E148-R151 PolarHBondContact O-NE 3.08Å; E148-R151 PolarHBondContact O-NH2 3.32Å; E148-R151 IonicContact OE1-NH2 3.56Å; R151-R168 VanDerWaalsContact O-CD 3.32Å; R151-R168 WeakPolarHBondContact O-CD 3.34Å; R151-R168 PolarHBondContact O-NH1 2.96Å; R151-S170 WeakPolarHBondContact CA-OG 3.36Å; R151-S170 PolarHBondContact N-OG 3.26Å; R151-S170 VanDerWaalsContact N-OG 3.16Å; R151-V448 HydrophobicContact CG-CG1 4.03Å; R151-D449 WeakPolarHBondContact CD-OD1 3.49Å; R151-D449 IonicContact CZ-OD1 2.68Å; R151-D449 IonicContact NE-OD1 3.51Å; R151-D449 IonicContact NH1-OD1 3.52Å; R151-D449 PolarHBondContact NH1-OD1 3.33Å; R151-D449 IonicContact NH1-OD2 2.93Å; R151-I452 HydrophobicContact CG-CD1 4.23Å |
| 152 | D | 98.5 | Very high | 98.6 | Very high | 92 Ų | 92 | 50 Ų | 50 | 49% | 0.492 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -4 | -173.3 | -68.9 | -42.3 | 0 | 0 | 0 | 114.6 | E150 R168 R445 | E150-D152 PolarHBondContact O-N 3.17Å; D152-R168 IonicContact OD1-NH1 3.4Å; D152-R168 PolarHBondContact OD1-NH1 3.26Å; D152-R168 VanDerWaalsContact OD1-NH1 3.16Å; D152-R445 IonicContact OD1-CZ 2.8Å; D152-R445 IonicContact OD1-NE 3.37Å; D152-R445 IonicContact OD1-NH1 3.44Å; D152-R445 PolarHBondContact OD1-NH1 3.03Å; D152-R445 IonicContact OD2-CZ 3.45Å; D152-R445 IonicContact OD2-NH1 2.62Å; D152-R445 PolarHBondContact OD2-NH1 3.41Å; D152-R445 IonicContact OD2-NH2 3.5Å |
| 153 | V | 98.9 | Very high | 98.6 | Very high | 8 Ų | 8 | 54.9 Ų | 54.9 | 5% | 0.048 | 28% | 0.277 | C | S | . | . | trans | -78.8 | 128.1 | 178.1 | -176.9 | 0 | 0 | 0 | 0 | 110.3 | E150 R168 W169 I355 Q357 M360 | E150-V153 HydrophobicContact CB-CG2 4.38Å; E150-V153 PolarHBondContact O-N 2.98Å; E150-V153 VanDerWaalsContact O-N 3.09Å; V153-R168 CarbonylContact O-C 3.59Å; V153-R168 WeakPolarHBondContact O-CA 3.38Å; V153-W169 HydrophobicContact CB-CB 3.99Å; V153-W169 HydrophobicContact CG1-CB 3.99Å; V153-W169 PolarHBondContact O-N 2.95Å; V153-I355 HydrophobicContact CB-CD1 4.37Å; V153-I355 HydrophobicContact CG1-CD1 4.13Å; V153-I355 HydrophobicContact CG2-CD1 3.8Å; V153-Q357 HydrophobicContact CG1-CG 4.04Å; V153-Q357 HydrophobicContact CG2-CG 3.88Å; V153-M360 HydrophobicContact CG1-SD 3.7Å | ||
| 154 | L | 98.8 | Very high | 98.5 | Very high | 31 Ų | 31 | 56.5 Ų | 56.5 | 16% | 0.162 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 143.4 | 176.3 | -53.8 | -173.3 | 0 | 0 | 0 | 110.7 | I167 R168 M360 L364 V434 | L154-I167 WeakPolarHBondContact CA-O 3.39Å; L154-R168 HydrophobicContact CD2-CG 3.73Å; L154-M360 WeakPolarHBondContact O-CB 3.41Å; L154-L364 HydrophobicContact CB-CD1 4.07Å; L154-V434 HydrophobicContact CD1-CG2 4.4Å; L154-V434 HydrophobicContact CD2-CG1 4.09Å; L154-V434 HydrophobicContact CD2-CG2 3.91Å |
| 155 | F | 98.9 | Very high | 98.4 | Very high | 1 Ų | 1 | 59.6 Ų | 59.6 | 0% | 0.004 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 166 | 174.6 | 90.9 | -59 | 0 | 0 | 0 | 109.7 | Y158 I167 W169 W172 Y263 F270 M360 | F155-Y158 HydrophobicContact CE2-CE2 4.46Å; F155-I167 HydrophobicContact CD1-CD1 4.23Å; F155-I167 HydrophobicContact CD1-CG1 3.7Å; F155-I167 HydrophobicContact CE1-CD1 3.37Å; F155-I167 HydrophobicContact CE1-CG1 3.35Å; F155-I167 HydrophobicContact CZ-CD1 3.8Å; F155-I167 HydrophobicContact CZ-CG1 4.18Å; F155-I167 PolarHBondContact N-O 3.16Å; F155-I167 PolarHBondContact O-N 2.56Å; F155-I167 VanDerWaalsContact O-O 3.07Å; F155-W169 HydrophobicContact CD1-CB 4.21Å; F155-W169 HydrophobicContact CE1-CE3 4.33Å; F155-W169 HydrophobicContact CE2-CE3 4.45Å; F155-W169 HydrophobicContact CZ-CE3 4.28Å; F155-W172 HydrophobicContact CE1-CB 3.77Å; F155-W172 HydrophobicContact CE1-CG 4.46Å; F155-W172 HydrophobicContact CZ-CB 3.63Å; F155-W172 AromaticContact CZ-CG 3.84Å; F155-W172 HydrophobicContact CZ-CG 3.84Å; F155-Y263 HydrophobicContact CE2-CE2 4.07Å; F155-Y263 AromaticContact CE2-CZ 3.89Å; F155-F270 HydrophobicContact CD2-CD2 4.2Å; F155-F270 HydrophobicContact CD2-CE2 4.25Å; F155-M360 HydrophobicContact CB-CB 3.71Å; F155-M360 HydrophobicContact CB-CG 3.9Å; F155-M360 HydrophobicContact CB-SD 4.11Å |
| 156 | P | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 133.8 | 178.8 | 26.5 | -34.9 | 0 | 0 | 0 | 112 | Y158 R163 F270 A363 L364 M368 | P156-Y158 HydrophobicContact CB-CE2 4.11Å; P156-Y158 HydrophobicContact CG-CE2 3.8Å; P156-Y158 VanDerWaalsContact CG-OH 3.27Å; P156-Y158 WeakPolarHBondContact CG-OH 3.38Å; P156-Y158 WeakPolarHBondContact O-CD2 3.39Å; P156-Y158 WeakPolarHBondContact O-CE2 3.48Å; P156-R163 HydrophobicContact CB-CG 4.09Å; P156-F270 HydrophobicContact CG-CE2 4.03Å; P156-F270 HydrophobicContact CG-CZ 3.8Å; P156-A363 HydrophobicContact CG-CB 3.9Å; P156-L364 HydrophobicContact CB-CD2 4.22Å; P156-M368 HydrophobicContact CB-CE 3.77Å |
| 157 | G | 98.7 | Very high | 98.4 | Very high | 5 Ų | 5 | 56.4 Ų | 56.4 | 5% | 0.052 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 147.5 | 163.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | A164 Q165 | G157-A164 PolarHBondContact O-N 2.84Å; G157-Q165 WeakPolarHBondContact CA-O 3.48Å; G157-Q165 PolarHBondContact N-O 3.5Å |
| 158 | Y | 98.8 | Very high | 98.4 | Very high | 49 Ų | 49 | 57.1 Ų | 57.1 | 19% | 0.192 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 139.7 | -171.6 | -65.7 | -92 | 0 | 0 | 0 | 113 | F155 P156 Q162 R163 Y263 F268 F270 | F155-Y158 HydrophobicContact CE2-CE2 4.46Å; P156-Y158 HydrophobicContact CB-CE2 4.11Å; P156-Y158 HydrophobicContact CG-CE2 3.8Å; P156-Y158 VanDerWaalsContact CG-OH 3.27Å; P156-Y158 WeakPolarHBondContact CG-OH 3.38Å; P156-Y158 WeakPolarHBondContact O-CD2 3.39Å; P156-Y158 WeakPolarHBondContact O-CE2 3.48Å; Y158-Q162 WeakPolarHBondContact CA-O 3.48Å; Y158-R163 HydrophobicContact CE1-CG 3.98Å; Y158-Y263 HydrophobicContact CE2-CE1 4.22Å; Y158-F268 AromaticContact CE1-CE1 3.97Å; Y158-F268 HydrophobicContact CE1-CE1 3.97Å; Y158-F268 HydrophobicContact CE2-CE1 4.46Å; Y158-F268 AromaticContact CZ-CE1 3.69Å; Y158-F268 VanDerWaalsContact OH-CE1 3.29Å; Y158-F268 WeakPolarHBondContact OH-CE1 3.43Å; Y158-F270 HydrophobicContact CE2-CE2 4.21Å; Y158-F270 WeakPolarHBondContact OH-CE2 3.3Å; Y158-F270 WeakPolarHBondContact OH-CZ 3.1Å |
| 159 | T | 98.2 | Very high | 98.4 | Very high | 86 Ų | 86 | 53.9 Ų | 53.9 | 53% | 0.528 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 132.8 | 163.1 | 58.3 | 0 | 0 | 0 | 0 | 107.9 | L161 Q162 A164 | T159-L161 PolarHBondContact O-N 2.98Å; T159-Q162 PolarHBondContact N-O 3.47Å; T159-Q162 VanDerWaalsContact N-O 3.13Å; T159-Q162 WeakPolarHBondContact O-CB 3.17Å; T159-Q162 PolarHBondContact O-N 3.35Å; T159-A164 HydrophobicContact CG2-CB 4.44Å |
| 160 | H | 98 | Very high | 98.4 | Very high | 183 Ų | 183 | 49.8 Ų | 49.8 | 85% | 0.847 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.3 | 29.3 | -171.9 | -52 | -83.9 | 0 | 0 | 0 | 113.6 | Q162 | H160-Q162 PolarHBondContact O-N 3.12Š|
| 161 | L | 98 | Very high | 98.4 | Very high | 102 Ų | 102 | 50 Ų | 50 | 53% | 0.534 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.2 | 14.8 | -172.3 | -149 | 65.7 | 0 | 0 | 0 | 114.6 | T159 L262 | T159-L161 PolarHBondContact O-N 2.98Å; L161-L262 HydrophobicContact CD1-CD2 3.24Å; L161-L262 HydrophobicContact CD2-CD2 3.94Å; L161-L262 HydrophobicContact CG-CD2 3.99Å |
| 162 | Q | 97.7 | Very high | 98.5 | Very high | 137 Ų | 137 | 48.2 Ų | 48.2 | 64% | 0.64 | 24% | 0.237 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 142.6 | 169.9 | -63.9 | -59.6 | -46.2 | 0 | 0 | 109.8 | Y158 T159 H160 A164 | Y158-Q162 WeakPolarHBondContact CA-O 3.48Å; T159-Q162 PolarHBondContact N-O 3.47Å; T159-Q162 VanDerWaalsContact N-O 3.13Å; T159-Q162 WeakPolarHBondContact O-CB 3.17Å; T159-Q162 PolarHBondContact O-N 3.35Å; H160-Q162 PolarHBondContact O-N 3.12Å; Q162-A164 PolarHBondContact O-N 3.42Å |
| 163 | R | 98.2 | Very high | 98.5 | Very high | 120 Ų | 120 | 43.8 Ų | 43.8 | 45% | 0.453 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.5 | 115.9 | 173.3 | -82 | 178.1 | -174.3 | 179.3 | 3.2 | 109.2 | P156 Y158 A363 M368 | P156-R163 HydrophobicContact CB-CG 4.09Å; Y158-R163 HydrophobicContact CE1-CG 3.98Å; R163-A363 VanDerWaalsContact CZ-O 3.28Å; R163-A363 PolarHBondContact NE-O 2.94Å; R163-A363 PolarHBondContact NH1-O 2.77Å; R163-M368 HydrophobicContact CB-CE 3.49Å; R163-M368 VanDerWaalsContact CB-CE 3.49Å; R163-M368 HydrophobicContact CG-CE 3.65Å |
| 164 | A | 97.1 | Very high | 98.5 | Very high | 34 Ų | 34 | 43.4 Ų | 43.4 | 28% | 0.281 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | -64.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | G157 T159 Q162 | G157-A164 PolarHBondContact O-N 2.84Å; T159-A164 HydrophobicContact CG2-CB 4.44Å; Q162-A164 PolarHBondContact O-N 3.42Å |
| 165 | Q | 97.6 | Very high | 98.5 | Very high | 65 Ų | 65 | 44.8 Ų | 44.8 | 30% | 0.304 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 156.1 | -176.7 | 62.3 | -177.3 | -87.3 | 0 | 0 | 110.3 | G157 I167 Y437 | G157-Q165 WeakPolarHBondContact CA-O 3.48Å; G157-Q165 PolarHBondContact N-O 3.5Å; Q165-I167 HydrophobicContact CG-CG2 4.2Å; Q165-Y437 PolarHBondContact OE1-OH 2.77Å |
| 166 | P | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.8 | 140 | 169.3 | -17.4 | 30.4 | 0 | 0 | 0 | 110.8 | L364 M368 Y430 V434 | P166-L364 HydrophobicContact CB-CD1 4.34Å; P166-L364 HydrophobicContact CB-CD2 3.87Å; P166-L364 HydrophobicContact CG-CD2 4.14Å; P166-M368 HydrophobicContact CG-SD 4.34Å; P166-Y430 HydrophobicContact CG-CD1 3.71Å; P166-Y430 HydrophobicContact CG-CE1 4.49Å; P166-Y430 HydrophobicContact CG-CG 4.37Å; P166-V434 HydrophobicContact CB-CG1 4.02Å; P166-V434 WeakPolarHBondContact O-CG1 3.31Å |
| 167 | I | 98.9 | Very high | 98.5 | Very high | 26 Ų | 26 | 45.1 Ų | 45.1 | 13% | 0.133 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 164.3 | 170.8 | 62.9 | 172.1 | 0 | 0 | 0 | 110.1 | L154 F155 Q165 T443 | L154-I167 WeakPolarHBondContact CA-O 3.39Å; F155-I167 HydrophobicContact CD1-CD1 4.23Å; F155-I167 HydrophobicContact CD1-CG1 3.7Å; F155-I167 HydrophobicContact CE1-CD1 3.37Å; F155-I167 HydrophobicContact CE1-CG1 3.35Å; F155-I167 HydrophobicContact CZ-CD1 3.8Å; F155-I167 HydrophobicContact CZ-CG1 4.18Å; F155-I167 PolarHBondContact N-O 3.16Å; F155-I167 PolarHBondContact O-N 2.56Å; F155-I167 VanDerWaalsContact O-O 3.07Å; Q165-I167 HydrophobicContact CG-CG2 4.2Å; I167-T443 HydrophobicContact CG2-CG2 4.41Å |
| 168 | R | 98.9 | Very high | 98.5 | Very high | 15 Ų | 15 | 47.2 Ų | 47.2 | 6% | 0.057 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 133.2 | 169.7 | -69 | -178.1 | -179.8 | -82.9 | -6.1 | 109.6 | R151 D152 V153 L154 S170 H171 W172 E435 T443 | R151-R168 VanDerWaalsContact O-CD 3.32Å; R151-R168 WeakPolarHBondContact O-CD 3.34Å; R151-R168 PolarHBondContact O-NH1 2.96Å; D152-R168 IonicContact OD1-NH1 3.4Å; D152-R168 PolarHBondContact OD1-NH1 3.26Å; D152-R168 VanDerWaalsContact OD1-NH1 3.16Å; V153-R168 CarbonylContact O-C 3.59Å; V153-R168 WeakPolarHBondContact O-CA 3.38Å; L154-R168 HydrophobicContact CD2-CG 3.73Å; R168-S170 PolarHBondContact O-N 3Å; R168-H171 HydrophobicContact CB-CB 4.19Å; R168-H171 WeakPolarHBondContact O-CA 3.49Å; R168-H171 WeakPolarHBondContact O-CB 3.39Å; R168-H171 PolarHBondContact O-N 2.96Å; R168-W172 PolarHBondContact O-N 2.95Å; R168-E435 IonicContact CZ-OE1 3.73Å; R168-E435 IonicContact NE-OE1 2.64Å; R168-E435 IonicContact NH2-OE1 2.77Å; R168-E435 PolarHBondContact NH2-OE1 3.04Å; R168-T443 WeakPolarHBondContact CD-O 3.27Å; R168-T443 WeakPolarHBondContact CG-O 2.99Å; R168-T443 PolarHBondContact N-OG1 3.39Å; R168-T443 PolarHBondContact NE-O 2.95Å |
| 169 | W | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -54.2 | -41.3 | 172.7 | 162.6 | -111.4 | 0 | 0 | 0 | 111.8 | E150 V153 F155 H171 W172 I173 L260 Y263 V271 L353 I355 M360 | E150-W169 PolarHBondContact OE2-NE1 2.69Å; V153-W169 HydrophobicContact CB-CB 3.99Å; V153-W169 HydrophobicContact CG1-CB 3.99Å; V153-W169 PolarHBondContact O-N 2.95Å; F155-W169 HydrophobicContact CD1-CB 4.21Å; F155-W169 HydrophobicContact CE1-CE3 4.33Å; F155-W169 HydrophobicContact CE2-CE3 4.45Å; F155-W169 HydrophobicContact CZ-CE3 4.28Å; W169-H171 PolarHBondContact O-N 2.94Å; W169-W172 HydrophobicContact CD2-CE3 4.34Å; W169-W172 HydrophobicContact CE3-CD2 4.27Å; W169-W172 AromaticContact CE3-CE3 3.72Å; W169-W172 HydrophobicContact CE3-CE3 3.72Å; W169-W172 HydrophobicContact CE3-CZ3 4.38Å; W169-W172 HydrophobicContact CH2-CD2 4.32Å; W169-W172 AromaticContact CH2-CE3 3.34Å; W169-W172 HydrophobicContact CH2-CE3 3.34Å; W169-W172 AromaticContact CH2-CH2 3.94Å; W169-W172 HydrophobicContact CH2-CH2 3.94Å; W169-W172 AromaticContact CH2-CZ3 3.11Å; W169-W172 HydrophobicContact CH2-CZ3 3.11Å; W169-W172 AromaticContact CZ2-CE3 3.99Å; W169-W172 HydrophobicContact CZ2-CE3 3.99Å; W169-W172 AromaticContact CZ2-CZ3 3.79Å; W169-W172 HydrophobicContact CZ2-CZ3 3.79Å; W169-W172 AromaticContact CZ3-CD2 3.78Å; W169-W172 HydrophobicContact CZ3-CD2 3.78Å; W169-W172 AromaticContact CZ3-CE3 3.17Å; W169-W172 HydrophobicContact CZ3-CE3 3.17Å; W169-W172 HydrophobicContact CZ3-CH2 4.27Å; W169-W172 AromaticContact CZ3-CZ3 3.48Å; W169-W172 HydrophobicContact CZ3-CZ3 3.48Å; W169-W172 VanDerWaalsContact CZ3-CZ3 3.48Å; W169-W172 WeakPolarHBondContact O-CA 3.4Å; W169-W172 WeakPolarHBondContact O-CB 2.87Å; W169-W172 PolarHBondContact O-N 3.33Å; W169-I173 HydrophobicContact CD2-CD1 4.37Å; W169-I173 HydrophobicContact CD2-CG1 4.37Å; W169-I173 HydrophobicContact CZ2-CD1 3.96Å; W169-I173 HydrophobicContact CZ2-CG1 3.96Å; W169-I173 PolarHBondContact O-N 3.14Å; W169-L260 HydrophobicContact CH2-CD2 4.24Å; W169-Y263 HydrophobicContact CZ3-CD2 4.28Å; W169-Y263 HydrophobicContact CZ3-CE2 4.32Å; W169-V271 HydrophobicContact CH2-CG1 4.07Å; W169-V271 HydrophobicContact CZ3-CG1 4.49Å; W169-L353 HydrophobicContact CZ2-CD1 4.31Å; W169-I355 HydrophobicContact CZ2-CG2 3.99Å; W169-M360 HydrophobicContact CD2-CE 4.04Å; W169-M360 HydrophobicContact CE3-CE 3.77Å; W169-M360 HydrophobicContact CZ3-CE 4.07Å |
| 170 | S | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.8 | -29.6 | 173.7 | -59.2 | 0 | 0 | 0 | 0 | 113.9 | A147 E150 R151 R168 I173 L174 | A147-S170 WeakPolarHBondContact O-CB 3.4Å; A147-S170 PolarHBondContact O-OG 3.43Å; E150-S170 PolarHBondContact O-OG 3.04Å; E150-S170 VanDerWaalsContact O-OG 3.11Å; R151-S170 WeakPolarHBondContact CA-OG 3.36Å; R151-S170 PolarHBondContact N-OG 3.26Å; R151-S170 VanDerWaalsContact N-OG 3.16Å; R168-S170 PolarHBondContact O-N 3Å; S170-I173 PolarHBondContact O-N 3.42Å; S170-L174 WeakPolarHBondContact O-CB 3.46Å; S170-L174 WeakPolarHBondContact O-CD1 3.45Å; S170-L174 VanDerWaalsContact O-CG 3.22Å; S170-L174 WeakPolarHBondContact O-CG 3.5Å; S170-L174 PolarHBondContact O-N 3.27Å |
| 171 | H | 98.9 | Very high | 98.6 | Very high | 42 Ų | 42 | 32.9 Ų | 32.9 | 19% | 0.194 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -69.1 | -36.9 | 174.8 | -168.7 | 48.6 | 0 | 0 | 0 | 111.3 | R168 W169 S175 G441 V448 Q451 | R168-H171 HydrophobicContact CB-CB 4.19Å; R168-H171 WeakPolarHBondContact O-CA 3.49Å; R168-H171 WeakPolarHBondContact O-CB 3.39Å; R168-H171 PolarHBondContact O-N 2.96Å; W169-H171 PolarHBondContact O-N 2.94Å; H171-S175 PolarHBondContact O-N 3.35Å; H171-G441 PolarHBondContact CE1-O 3.46Å; H171-V448 HydrophobicContact CB-CG2 4.24Å; H171-Q451 PolarHBondContact ND1-OE1 3.42Å |
| 172 | W | 98.9 | Very high | 98.6 | Very high | 16 Ų | 16 | 33 Ų | 33 | 6% | 0.061 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.2 | -45.2 | 171.1 | 173.4 | 88.9 | 0 | 0 | 0 | 111.8 | F155 R168 W169 L174 S175 H176 M256 D259 L260 Y263 | F155-W172 HydrophobicContact CE1-CB 3.77Å; F155-W172 HydrophobicContact CE1-CG 4.46Å; F155-W172 HydrophobicContact CZ-CB 3.63Å; F155-W172 AromaticContact CZ-CG 3.84Å; F155-W172 HydrophobicContact CZ-CG 3.84Å; R168-W172 PolarHBondContact O-N 2.95Å; W169-W172 HydrophobicContact CD2-CE3 4.34Å; W169-W172 HydrophobicContact CE3-CD2 4.27Å; W169-W172 AromaticContact CE3-CE3 3.72Å; W169-W172 HydrophobicContact CE3-CE3 3.72Å; W169-W172 HydrophobicContact CE3-CZ3 4.38Å; W169-W172 HydrophobicContact CH2-CD2 4.32Å; W169-W172 AromaticContact CH2-CE3 3.34Å; W169-W172 HydrophobicContact CH2-CE3 3.34Å; W169-W172 AromaticContact CH2-CH2 3.94Å; W169-W172 HydrophobicContact CH2-CH2 3.94Å; W169-W172 AromaticContact CH2-CZ3 3.11Å; W169-W172 HydrophobicContact CH2-CZ3 3.11Å; W169-W172 AromaticContact CZ2-CE3 3.99Å; W169-W172 HydrophobicContact CZ2-CE3 3.99Å; W169-W172 AromaticContact CZ2-CZ3 3.79Å; W169-W172 HydrophobicContact CZ2-CZ3 3.79Å; W169-W172 AromaticContact CZ3-CD2 3.78Å; W169-W172 HydrophobicContact CZ3-CD2 3.78Å; W169-W172 AromaticContact CZ3-CE3 3.17Å; W169-W172 HydrophobicContact CZ3-CE3 3.17Å; W169-W172 HydrophobicContact CZ3-CH2 4.27Å; W169-W172 AromaticContact CZ3-CZ3 3.48Å; W169-W172 HydrophobicContact CZ3-CZ3 3.48Å; W169-W172 VanDerWaalsContact CZ3-CZ3 3.48Å; W169-W172 WeakPolarHBondContact O-CA 3.4Å; W169-W172 WeakPolarHBondContact O-CB 2.87Å; W169-W172 PolarHBondContact O-N 3.33Å; W172-L174 VanDerWaalsContact C-N 3.35Å; W172-L174 PolarHBondContact O-N 3.38Å; W172-S175 WeakPolarHBondContact O-CB 3.25Å; W172-S175 PolarHBondContact O-N 3Å; W172-S175 PolarHBondContact O-OG 2.81Å; W172-H176 AromaticContact CE2-CD2 3.58Å; W172-H176 AromaticContact CE2-NE2 3.5Å; W172-H176 AromaticContact CH2-CD2 4Å; W172-H176 AromaticContact CZ2-CD2 3.5Å; W172-H176 VanDerWaalsContact CZ2-CD2 3.5Å; W172-H176 WeakPolarHBondContact CZ2-CD2 3.25Å; W172-H176 AromaticContact CZ2-NE2 3.43Å; W172-H176 WeakPolarHBondContact CZ2-NE2 3.33Å; W172-H176 AromaticContact NE1-CD2 3.9Å; W172-H176 AromaticContact NE1-NE2 3.47Å; W172-H176 PolarHBondContact NE1-NE2 2.83Å; W172-M256 HydrophobicContact CH2-CG 4.3Å; W172-D259 HydrophobicContact CZ2-CB 3.59Å; W172-D259 PolarHBondContact NE1-OD2 2.79Å; W172-L260 HydrophobicContact CH2-CD1 4.33Å; W172-L260 HydrophobicContact CH2-CD2 3.58Å; W172-L260 HydrophobicContact CH2-CG 3.79Å; W172-L260 HydrophobicContact CZ2-CD2 4.29Å; W172-L260 HydrophobicContact CZ2-CG 4.29Å; W172-L260 HydrophobicContact CZ3-CD2 4.24Å; W172-Y263 HydrophobicContact CD2-CE2 4.35Å; W172-Y263 AromaticContact CE2-CE2 3.8Å; W172-Y263 HydrophobicContact CZ2-CE2 4.04Å; W172-Y263 AromaticContact NE1-CE2 3.83Å |
| 173 | I | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -58.4 | -49.3 | 176.5 | -63.2 | 170.2 | 0 | 0 | 0 | 110.5 | M143 R146 A147 W169 S170 S175 H176 A177 | M143-I173 HydrophobicContact CB-CG2 3.72Å; M143-I173 HydrophobicContact CE-CG2 4.28Å; M143-I173 HydrophobicContact CG-CG2 4.36Å; M143-I173 VanDerWaalsContact O-CG2 3.23Å; M143-I173 WeakPolarHBondContact O-CG2 3.29Å; R146-I173 HydrophobicContact CB-CD1 4.45Å; R146-I173 HydrophobicContact CG-CD1 3.84Å; A147-I173 HydrophobicContact CB-CB 4.15Å; A147-I173 HydrophobicContact CB-CD1 4.43Å; A147-I173 HydrophobicContact CB-CG2 4.08Å; W169-I173 HydrophobicContact CD2-CD1 4.37Å; W169-I173 HydrophobicContact CD2-CG1 4.37Å; W169-I173 HydrophobicContact CZ2-CD1 3.96Å; W169-I173 HydrophobicContact CZ2-CG1 3.96Å; W169-I173 PolarHBondContact O-N 3.14Å; S170-I173 PolarHBondContact O-N 3.42Å; I173-S175 PolarHBondContact O-N 2.94Å; I173-H176 PolarHBondContact O-N 3.39Å; I173-A177 PolarHBondContact O-N 3.47Å |
| 174 | L | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -62.9 | -30.1 | -179.2 | -71.7 | 166.6 | 0 | 0 | 0 | 112.2 | V144 A147 S170 W172 H176 A177 V178 V448 Q451 I452 | V144-L174 HydrophobicContact CG2-CD2 4.21Å; A147-L174 HydrophobicContact CB-CD1 4.36Å; A147-L174 HydrophobicContact CB-CD2 4.12Å; A147-L174 HydrophobicContact CB-CG 3.88Å; S170-L174 WeakPolarHBondContact O-CB 3.46Å; S170-L174 WeakPolarHBondContact O-CD1 3.45Å; S170-L174 VanDerWaalsContact O-CG 3.22Å; S170-L174 WeakPolarHBondContact O-CG 3.5Å; S170-L174 PolarHBondContact O-N 3.27Å; W172-L174 VanDerWaalsContact C-N 3.35Å; W172-L174 PolarHBondContact O-N 3.38Å; L174-H176 VanDerWaalsContact C-N 3.29Å; L174-H176 PolarHBondContact O-N 2.68Å; L174-A177 PolarHBondContact O-N 3.29Å; L174-V178 WeakPolarHBondContact O-CB 3.16Å; L174-V178 WeakPolarHBondContact O-CG2 3.26Å; L174-V178 PolarHBondContact O-N 2.91Å; L174-V448 HydrophobicContact CD1-CG1 3.81Å; L174-Q451 HydrophobicContact CD1-CB 3.95Å; L174-I452 HydrophobicContact CD1-CG1 3.96Å; L174-I452 HydrophobicContact CD2-CG1 4.13Å |
| 175 | S | 98.9 | Very high | 98.8 | Very high | 60 Ų | 60 | 24 Ų | 24 | 42% | 0.42 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -59.6 | -40.5 | 176.5 | 82.1 | 0 | 0 | 0 | 0 | 112.4 | H171 W172 I173 A179 | H171-S175 PolarHBondContact O-N 3.35Å; W172-S175 WeakPolarHBondContact O-CB 3.25Å; W172-S175 PolarHBondContact O-N 3Å; W172-S175 PolarHBondContact O-OG 2.81Å; I173-S175 PolarHBondContact O-N 2.94Å; S175-A179 PolarHBondContact O-N 3.12Å |
| 176 | H | 98.9 | Very high | 98.9 | Very high | 8 Ų | 8 | 24.1 Ų | 24.1 | 4% | 0.037 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -77.1 | -40.6 | 176.2 | -70.6 | -63.4 | 0 | 0 | 0 | 111.4 | M143 W172 I173 L174 V178 A179 L180 D259 | M143-H176 HydrophobicContact CE-CB 3.46Å; M143-H176 VanDerWaalsContact CE-CB 3.46Å; W172-H176 AromaticContact CE2-CD2 3.58Å; W172-H176 AromaticContact CE2-NE2 3.5Å; W172-H176 AromaticContact CH2-CD2 4Å; W172-H176 AromaticContact CZ2-CD2 3.5Å; W172-H176 VanDerWaalsContact CZ2-CD2 3.5Å; W172-H176 WeakPolarHBondContact CZ2-CD2 3.25Å; W172-H176 AromaticContact CZ2-NE2 3.43Å; W172-H176 WeakPolarHBondContact CZ2-NE2 3.33Å; W172-H176 AromaticContact NE1-CD2 3.9Å; W172-H176 AromaticContact NE1-NE2 3.47Å; W172-H176 PolarHBondContact NE1-NE2 2.83Å; I173-H176 PolarHBondContact O-N 3.39Å; L174-H176 VanDerWaalsContact C-N 3.29Å; L174-H176 PolarHBondContact O-N 2.68Å; H176-V178 VanDerWaalsContact C-N 3.33Å; H176-V178 PolarHBondContact O-N 3.45Å; H176-A179 WeakPolarHBondContact O-CB 3.46Å; H176-A179 PolarHBondContact O-N 3.17Å; H176-A179 VanDerWaalsContact O-N 3.17Å; H176-L180 WeakPolarHBondContact O-CG 3.44Å; H176-L180 PolarHBondContact O-N 2.84Å; H176-L180 VanDerWaalsContact O-N 3.09Å; H176-D259 IonicContact CE1-OD2 3.89Å; H176-D259 IonicContact NE2-OD2 2.94Å; H176-D259 PolarHBondContact NE2-OD2 3.01Å |
| 177 | A | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -58.9 | -44 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | I140 M143 V144 I173 L174 A179 L180 T181 | I140-A177 HydrophobicContact CG2-CB 4.4Å; M143-A177 HydrophobicContact CB-CB 4.08Å; M143-A177 HydrophobicContact CE-CB 4.16Å; M143-A177 HydrophobicContact SD-CB 4.31Å; V144-A177 HydrophobicContact CG2-CB 4.4Å; I173-A177 PolarHBondContact O-N 3.47Å; L174-A177 PolarHBondContact O-N 3.29Å; A177-A179 VanDerWaalsContact C-N 3.33Å; A177-A179 PolarHBondContact O-N 3.19Å; A177-L180 PolarHBondContact O-N 3Å; A177-L180 VanDerWaalsContact O-N 3.17Å; A177-T181 WeakPolarHBondContact O-CG2 3.43Å; A177-T181 PolarHBondContact O-N 3.31Å |
| 178 | V | 98.9 | Very high | 98.9 | Very high | 48 Ų | 48 | 24.8 Ų | 24.8 | 29% | 0.291 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -63.8 | -37.3 | 177.8 | 171.1 | 0 | 0 | 0 | 0 | 111.3 | L174 H176 L180 T181 V455 | L174-V178 WeakPolarHBondContact O-CB 3.16Å; L174-V178 WeakPolarHBondContact O-CG2 3.26Å; L174-V178 PolarHBondContact O-N 2.91Å; H176-V178 VanDerWaalsContact C-N 3.33Å; H176-V178 PolarHBondContact O-N 3.45Å; V178-L180 VanDerWaalsContact C-N 3.35Å; V178-T181 PolarHBondContact O-N 3.05Å; V178-T181 PolarHBondContact O-OG1 3.13Å; V178-V455 HydrophobicContact CG2-CG2 3.82Å |
| 179 | A | 98.9 | Very high | 98.9 | Very high | 8 Ų | 8 | 28.1 Ų | 28.1 | 7% | 0.066 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.5 | -44.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112 | S175 H176 A177 T181 R182 D183 H252 | S175-A179 PolarHBondContact O-N 3.12Å; H176-A179 WeakPolarHBondContact O-CB 3.46Å; H176-A179 PolarHBondContact O-N 3.17Å; H176-A179 VanDerWaalsContact O-N 3.17Å; A177-A179 VanDerWaalsContact C-N 3.33Å; A177-A179 PolarHBondContact O-N 3.19Å; A179-T181 VanDerWaalsContact C-N 3.33Å; A179-T181 PolarHBondContact O-N 2.96Å; A179-R182 WeakPolarHBondContact O-CB 3.41Å; A179-R182 PolarHBondContact O-N 3.15Å; A179-R182 VanDerWaalsContact O-N 3.13Å; A179-D183 PolarHBondContact O-N 2.79Å; A179-H252 HydrophobicContact CB-CB 4.42Å |
| 180 | L | 98.9 | Very high | 98.9 | Very high | 3 Ų | 3 | 28.5 Ų | 28.5 | 2% | 0.016 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -67.4 | -29.4 | 178.7 | -66.8 | 172.5 | 0 | 0 | 0 | 113.1 | L136 L139 I140 M143 H176 A177 V178 R182 D183 S184 H252 L253 | L136-L180 HydrophobicContact CD1-CB 4.12Å; L136-L180 HydrophobicContact CD1-CD2 4.05Å; L139-L180 HydrophobicContact CD2-CD1 3.74Å; L139-L180 HydrophobicContact CG-CD1 4.09Å; I140-L180 HydrophobicContact CD1-CB 4.01Å; I140-L180 HydrophobicContact CG1-CB 3.73Å; M143-L180 HydrophobicContact CE-CD1 4.42Å; M143-L180 HydrophobicContact SD-CD1 3.71Å; H176-L180 WeakPolarHBondContact O-CG 3.44Å; H176-L180 PolarHBondContact O-N 2.84Å; H176-L180 VanDerWaalsContact O-N 3.09Å; A177-L180 PolarHBondContact O-N 3Å; A177-L180 VanDerWaalsContact O-N 3.17Å; V178-L180 VanDerWaalsContact C-N 3.35Å; L180-R182 VanDerWaalsContact C-N 3.26Å; L180-R182 PolarHBondContact O-N 3.16Å; L180-D183 PolarHBondContact O-N 3.24Å; L180-D183 VanDerWaalsContact O-N 3.14Å; L180-S184 PolarHBondContact O-N 2.99Å; L180-H252 HydrophobicContact CD2-CB 4.44Å; L180-L253 HydrophobicContact CD1-CD2 4.3Å; L180-L253 HydrophobicContact CD2-CD2 4.02Å; L180-L253 HydrophobicContact CD2-CG 4.3Å |
| 181 | T | 98.9 | Very high | 98.8 | Very high | 7 Ų | 7 | 31.5 Ų | 31.5 | 4% | 0.043 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.3 | -34 | 171.6 | 62.6 | 0 | 0 | 0 | 0 | 112.6 | I140 A177 V178 A179 S184 E185 V455 | I140-T181 HydrophobicContact CD1-CG2 4.19Å; I140-T181 HydrophobicContact CG2-CG2 3.9Å; A177-T181 WeakPolarHBondContact O-CG2 3.43Å; A177-T181 PolarHBondContact O-N 3.31Å; V178-T181 PolarHBondContact O-N 3.05Å; V178-T181 PolarHBondContact O-OG1 3.13Å; A179-T181 VanDerWaalsContact C-N 3.33Å; A179-T181 PolarHBondContact O-N 2.96Å; T181-S184 WeakPolarHBondContact O-CB 3.22Å; T181-S184 PolarHBondContact O-N 3.01Å; T181-E185 PolarHBondContact O-N 2.88Å; T181-V455 HydrophobicContact CG2-CG1 3.82Å |
| 182 | R | 98.9 | Very high | 98.8 | Very high | 104 Ų | 104 | 37.2 Ų | 37.2 | 39% | 0.392 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -71.3 | -33.1 | 174 | -62.7 | -169.8 | -62.1 | -85.7 | 0.3 | 111.9 | A179 L180 S184 R186 | A179-R182 WeakPolarHBondContact O-CB 3.41Å; A179-R182 PolarHBondContact O-N 3.15Å; A179-R182 VanDerWaalsContact O-N 3.13Å; L180-R182 VanDerWaalsContact C-N 3.26Å; L180-R182 PolarHBondContact O-N 3.16Å; R182-S184 VanDerWaalsContact C-N 3.32Å; R182-R186 WeakPolarHBondContact O-CB 3.48Å; R182-R186 WeakPolarHBondContact O-CG 3.44Å; R182-R186 PolarHBondContact O-N 3.28Å; R182-R186 PolarHBondContact O-NE 3.08Å |
| 183 | D | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -70.1 | -34.1 | 173 | -59.6 | -32 | 0 | 0 | 0 | 111.4 | L136 A179 L180 R186 L187 W245 C249 H252 | L136-D183 HydrophobicContact CD2-CB 4.34Å; A179-D183 PolarHBondContact O-N 2.79Å; L180-D183 PolarHBondContact O-N 3.24Å; L180-D183 VanDerWaalsContact O-N 3.14Å; D183-R186 IonicContact OD1-CZ 3.35Å; D183-R186 IonicContact OD1-NE 2.67Å; D183-R186 PolarHBondContact OD1-NE 3.32Å; D183-R186 IonicContact OD1-NH2 3.58Å; D183-R186 PolarHBondContact OD1-NH2 3.03Å; D183-L187 PolarHBondContact O-N 3.45Å; D183-W245 PolarHBondContact O-NE1 3.4Å; D183-C249 HydrophobicContact CB-CB 4.2Å; D183-C249 WeakPolarHBondContact OD2-CA 3.48Å; D183-H252 IonicContact OD1-CE1 2.72Å; D183-H252 PolarHBondContact OD1-CE1 3.13Å; D183-H252 IonicContact OD1-ND1 3.94Å; D183-H252 PolarHBondContact OD1-ND1 3.49Å; D183-H252 IonicContact OD2-CE1 2.83Å; D183-H252 PolarHBondContact OD2-CE1 3.35Å; D183-H252 IonicContact OD2-CG 2.69Å; D183-H252 IonicContact OD2-ND1 3.15Å; D183-H252 PolarHBondContact OD2-ND1 3.31Å |
| 184 | S | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65.4 | -45.9 | 172.8 | -171 | 0 | 0 | 0 | 0 | 111.5 | W137 L180 T181 R182 R186 L187 L188 Q462 | W137-S184 PolarHBondContact NE1-OG 3.47Å; L180-S184 PolarHBondContact O-N 2.99Å; T181-S184 WeakPolarHBondContact O-CB 3.22Å; T181-S184 PolarHBondContact O-N 3.01Å; R182-S184 VanDerWaalsContact C-N 3.32Å; S184-R186 PolarHBondContact O-N 3.06Å; S184-L187 WeakPolarHBondContact O-CB 3.44Å; S184-L187 PolarHBondContact O-N 2.87Å; S184-L188 WeakPolarHBondContact O-CG 3.31Å; S184-L188 PolarHBondContact O-N 3.17Å; S184-L188 VanDerWaalsContact O-N 3.08Å; S184-Q462 PolarHBondContact OG-OE1 3.25Å |
| 185 | E | 98.8 | Very high | 98.8 | Very high | 103 Ų | 103 | 43.7 Ų | 43.7 | 48% | 0.481 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -56.4 | -50.2 | 173.5 | -177.9 | 177 | -167.2 | 0 | 0 | 111.4 | T181 L187 L188 E189 | T181-E185 PolarHBondContact O-N 2.88Å; E185-L187 VanDerWaalsContact C-N 3.3Å; E185-L187 PolarHBondContact O-N 3.28Å; E185-L188 WeakPolarHBondContact O-CB 3.16Å; E185-L188 PolarHBondContact O-N 3.27Å; E185-L188 VanDerWaalsContact O-N 3.1Å; E185-E189 WeakPolarHBondContact O-CG 3.19Å; E185-E189 PolarHBondContact O-N 3.17Å; E185-E189 VanDerWaalsContact O-N 3.08Å |
| 186 | R | 98.9 | Very high | 98.8 | Very high | 66 Ų | 66 | 42.4 Ų | 42.4 | 25% | 0.249 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -56.9 | -41.4 | 175.7 | -81.7 | -176 | -83.5 | -90.2 | 4.1 | 112.7 | R182 D183 S184 L188 E189 V190 | R182-R186 WeakPolarHBondContact O-CB 3.48Å; R182-R186 WeakPolarHBondContact O-CG 3.44Å; R182-R186 PolarHBondContact O-N 3.28Å; R182-R186 PolarHBondContact O-NE 3.08Å; D183-R186 IonicContact OD1-CZ 3.35Å; D183-R186 IonicContact OD1-NE 2.67Å; D183-R186 PolarHBondContact OD1-NE 3.32Å; D183-R186 IonicContact OD1-NH2 3.58Å; D183-R186 PolarHBondContact OD1-NH2 3.03Å; S184-R186 PolarHBondContact O-N 3.06Å; R186-L188 VanDerWaalsContact C-N 3.32Å; R186-L188 PolarHBondContact O-N 2.96Å; R186-E189 PolarHBondContact O-N 3.43Å; R186-V190 WeakPolarHBondContact O-CG2 3.23Å; R186-V190 PolarHBondContact O-N 3.32Å |
| 187 | L | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.4 | -41.3 | 178 | -174 | 56.8 | 0 | 0 | 0 | 111.4 | C129 L132 S133 D183 S184 E185 E189 V190 R191 W245 | C129-L187 HydrophobicContact CB-CD1 4.08Å; L132-L187 HydrophobicContact CB-CD2 4.08Å; S133-L187 WeakPolarHBondContact OG-CD2 3.29Å; D183-L187 PolarHBondContact O-N 3.45Å; S184-L187 WeakPolarHBondContact O-CB 3.44Å; S184-L187 PolarHBondContact O-N 2.87Å; E185-L187 VanDerWaalsContact C-N 3.3Å; E185-L187 PolarHBondContact O-N 3.28Å; L187-E189 VanDerWaalsContact C-N 3.3Å; L187-E189 PolarHBondContact O-N 3.16Å; L187-V190 PolarHBondContact O-N 3.11Å; L187-R191 WeakPolarHBondContact O-CB 3.31Å; L187-R191 VanDerWaalsContact O-CG 3.25Å; L187-R191 WeakPolarHBondContact O-CG 3.33Å; L187-R191 PolarHBondContact O-N 2.95Å; L187-W245 HydrophobicContact CB-CD2 4.5Å; L187-W245 HydrophobicContact CB-CZ2 4.24Å; L187-W245 HydrophobicContact CD1-CD2 3.89Å; L187-W245 HydrophobicContact CD1-CE3 4.08Å; L187-W245 HydrophobicContact CD1-CG 4.47Å; L187-W245 HydrophobicContact CD1-CH2 4.25Å; L187-W245 HydrophobicContact CD1-CZ2 4.04Å; L187-W245 HydrophobicContact CD1-CZ3 4.27Å; L187-W245 HydrophobicContact CD2-CH2 4.09Å; L187-W245 HydrophobicContact CD2-CZ2 3.66Å; L187-W245 HydrophobicContact CG-CZ2 4.19Å |
| 188 | L | 98.5 | Very high | 98.8 | Very high | 40 Ų | 40 | 42 Ų | 42 | 21% | 0.209 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.9 | -36.9 | 177.2 | -65.9 | 173.3 | 0 | 0 | 0 | 112 | W137 S184 E185 R186 K192 Q462 | W137-L188 HydrophobicContact CZ2-CD1 4.38Å; W137-L188 HydrophobicContact CZ2-CD2 4.12Å; S184-L188 WeakPolarHBondContact O-CG 3.31Å; S184-L188 PolarHBondContact O-N 3.17Å; S184-L188 VanDerWaalsContact O-N 3.08Å; E185-L188 WeakPolarHBondContact O-CB 3.16Å; E185-L188 PolarHBondContact O-N 3.27Å; E185-L188 VanDerWaalsContact O-N 3.1Å; R186-L188 VanDerWaalsContact C-N 3.32Å; R186-L188 PolarHBondContact O-N 2.96Å; L188-K192 PolarHBondContact O-N 3.36Å; L188-Q462 HydrophobicContact CD1-CB 3.74Å; L188-Q462 HydrophobicContact CD1-CG 3.6Å |
| 189 | E | 98.7 | Very high | 98.8 | Very high | 86 Ų | 86 | 39.9 Ų | 39.9 | 40% | 0.402 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -66.5 | -46.1 | 174.4 | -64.5 | 176.3 | 144.6 | 0 | 0 | 112.1 | E185 R186 L187 R191 K192 | E185-E189 WeakPolarHBondContact O-CG 3.19Å; E185-E189 PolarHBondContact O-N 3.17Å; E185-E189 VanDerWaalsContact O-N 3.08Å; R186-E189 PolarHBondContact O-N 3.43Å; L187-E189 VanDerWaalsContact C-N 3.3Å; L187-E189 PolarHBondContact O-N 3.16Å; E189-R191 VanDerWaalsContact C-N 3.3Å; E189-R191 PolarHBondContact O-N 3.02Å; E189-K192 WeakPolarHBondContact O-CB 3.4Å; E189-K192 PolarHBondContact O-N 3.49Å |
| 190 | V | 98.8 | Very high | 98.8 | Very high | 8 Ų | 8 | 39.6 Ų | 39.6 | 5% | 0.048 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -59.9 | -42 | 175.7 | 171.7 | 0 | 0 | 0 | 0 | 110.6 | R186 L187 K192 R193 I194 E241 F242 | R186-V190 WeakPolarHBondContact O-CG2 3.23Å; R186-V190 PolarHBondContact O-N 3.32Å; L187-V190 PolarHBondContact O-N 3.11Å; V190-K192 VanDerWaalsContact C-N 3.26Å; V190-K192 PolarHBondContact O-N 2.96Å; V190-R193 PolarHBondContact O-N 2.76Å; V190-I194 HydrophobicContact CG1-CD1 3.76Å; V190-I194 HydrophobicContact CG1-CG1 4.25Å; V190-I194 WeakPolarHBondContact O-CG1 3.4Å; V190-I194 PolarHBondContact O-N 3.28Å; V190-E241 HydrophobicContact CG1-CB 4.35Å; V190-E241 HydrophobicContact CG2-CB 4.06Å; V190-F242 HydrophobicContact CG1-CB 4.46Å |
| 191 | R | 98.5 | Very high | 98.8 | Very high | 62 Ų | 62 | 39.6 Ų | 39.6 | 23% | 0.234 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -57.6 | -35.6 | 177 | -78.6 | 178.3 | 68.9 | -175.8 | -0.3 | 113.2 | C129 S130 S133 L187 E189 R193 I194 N195 | C129-R191 HydrophobicContact CB-CG 3.52Å; S130-R191 PolarHBondContact OG-NH2 3.14Å; S133-R191 PolarHBondContact OG-NH1 3.46Å; S133-R191 VanDerWaalsContact OG-NH1 3.14Å; L187-R191 WeakPolarHBondContact O-CB 3.31Å; L187-R191 VanDerWaalsContact O-CG 3.25Å; L187-R191 WeakPolarHBondContact O-CG 3.33Å; L187-R191 PolarHBondContact O-N 2.95Å; E189-R191 VanDerWaalsContact C-N 3.3Å; E189-R191 PolarHBondContact O-N 3.02Å; R191-R193 VanDerWaalsContact C-N 3.34Å; R191-I194 PolarHBondContact O-N 3.08Å; R191-N195 WeakPolarHBondContact O-CB 3.22Å; R191-N195 PolarHBondContact O-N 3.45Å |
| 192 | K | 98.5 | Very high | 98.7 | Very high | 163 Ų | 163 | 39.4 Ų | 39.4 | 71% | 0.709 | 17% | 0.174 | S | C | * | . | H | α-helix | trans | -62.5 | -41.9 | 176 | -70 | 178.7 | -179.7 | 177.2 | 0 | 111.5 | L188 E189 V190 N195 | L188-K192 PolarHBondContact O-N 3.36Å; E189-K192 WeakPolarHBondContact O-CB 3.4Å; E189-K192 PolarHBondContact O-N 3.49Å; V190-K192 VanDerWaalsContact C-N 3.26Å; V190-K192 PolarHBondContact O-N 2.96Å; K192-N195 PolarHBondContact O-N 3.26Å |
| 193 | R | 98.8 | Very high | 98.7 | Very high | 109 Ų | 109 | 36.7 Ų | 36.7 | 41% | 0.411 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -77.1 | -28.6 | 179.8 | -70.1 | -177.5 | -66.4 | -82.9 | -2.2 | 113.2 | R122 V190 R191 N195 E241 | R122-R193 PolarHBondContact NH1-O 3.02Å; V190-R193 PolarHBondContact O-N 2.76Å; R191-R193 VanDerWaalsContact C-N 3.34Å; R193-N195 VanDerWaalsContact C-N 3.32Å; R193-E241 IonicContact CZ-OE1 2.85Å; R193-E241 IonicContact CZ-OE2 2.77Å; R193-E241 VanDerWaalsContact CZ-OE2 3.25Å; R193-E241 VanDerWaalsContact NE-CD 3.31Å; R193-E241 IonicContact NE-OE1 3.46Å; R193-E241 PolarHBondContact NE-OE1 3.09Å; R193-E241 IonicContact NE-OE2 3.63Å; R193-E241 PolarHBondContact NE-OE2 3.43Å; R193-E241 IonicContact NH2-OE1 3.94Å; R193-E241 PolarHBondContact NH2-OE1 2.96Å; R193-E241 IonicContact NH2-OE2 3.52Å; R193-E241 PolarHBondContact NH2-OE2 3.46Å |
| 194 | I | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.4 | -40.6 | 167.3 | -69.4 | 167.3 | 0 | 0 | 0 | 110.6 | R122 M125 R126 V190 R191 V196 F238 | R122-I194 HydrophobicContact CB-CG2 4.41Å; R122-I194 PolarHBondContact NH1-O 2.84Å; R122-I194 WeakPolarHBondContact O-CG2 3.41Å; M125-I194 HydrophobicContact CB-CD1 4.22Å; M125-I194 HydrophobicContact CB-CG2 4.12Å; M125-I194 HydrophobicContact CE-CD1 4.05Å; R126-I194 HydrophobicContact CB-CG2 4.19Å; V190-I194 HydrophobicContact CG1-CD1 3.76Å; V190-I194 HydrophobicContact CG1-CG1 4.25Å; V190-I194 WeakPolarHBondContact O-CG1 3.4Å; V190-I194 PolarHBondContact O-N 3.28Å; R191-I194 PolarHBondContact O-N 3.08Å; I194-V196 PolarHBondContact O-N 3.49Å; I194-F238 HydrophobicContact CG1-CB 3.99Å; I194-F238 HydrophobicContact CG1-CD2 4.33Å |
| 195 | N | 98.8 | Very high | 98.7 | Very high | 42 Ų | 42 | 44.6 Ų | 44.6 | 23% | 0.225 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -79.7 | 45.3 | -173.4 | -160.4 | 37.9 | 0 | 0 | 0 | 114.5 | R126 R191 K192 R193 F222 G223 | R126-N195 VanDerWaalsContact CD-OD1 3.26Å; R126-N195 WeakPolarHBondContact CD-OD1 3.33Å; R191-N195 WeakPolarHBondContact O-CB 3.22Å; R191-N195 PolarHBondContact O-N 3.45Å; K192-N195 PolarHBondContact O-N 3.26Å; R193-N195 VanDerWaalsContact C-N 3.32Å; N195-F222 WeakPolarHBondContact OD1-CA 3.33Å; N195-G223 PolarHBondContact ND2-N 3.38Å; N195-G223 VanDerWaalsContact ND2-N 3.18Å; N195-G223 PolarHBondContact O-N 3.41Å |
| 196 | V | 98.9 | Very high | 98.7 | Very high | 34 Ų | 34 | 40.8 Ų | 40.8 | 21% | 0.206 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 126 | 170.4 | -174.5 | 0 | 0 | 0 | 0 | 109.3 | R122 I194 P198 A224 I225 T226 | R122-V196 WeakPolarHBondContact CD-O 3.43Å; R122-V196 PolarHBondContact NH1-O 2.79Å; R122-V196 VanDerWaalsContact NH1-O 3.1Å; I194-V196 PolarHBondContact O-N 3.49Å; V196-P198 WeakPolarHBondContact O-CD 3.22Å; V196-A224 HydrophobicContact CG1-CB 4.38Å; V196-I225 VanDerWaalsContact CG1-C 3.43Å; V196-T226 HydrophobicContact CG1-CG2 3.83Å |
| 197 | L | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 128.2 | -175 | -178.7 | 78.1 | 0 | 0 | 0 | 110.7 | T119 L199 R213 L216 R217 L220 F222 A224 I225 T226 | T119-L197 HydrophobicContact CG2-CD1 4.14Å; L197-L199 HydrophobicContact CD1-CB 3.82Å; L197-L199 HydrophobicContact CD2-CB 4.23Å; L197-L199 HydrophobicContact CG-CB 4.02Å; L197-R213 VanDerWaalsContact C-NH2 3.34Å; L197-R213 PolarHBondContact O-NH2 3.14Å; L197-L216 HydrophobicContact CD2-CB 3.69Å; L197-R217 HydrophobicContact CD2-CB 3.99Å; L197-L220 HydrophobicContact CD1-CB 4.41Å; L197-L220 HydrophobicContact CD1-CD1 3.7Å; L197-F222 HydrophobicContact CB-CB 3.75Å; L197-F222 HydrophobicContact CB-CD1 4.08Å; L197-F222 HydrophobicContact CB-CD2 3.99Å; L197-F222 HydrophobicContact CB-CG 3.69Å; L197-F222 HydrophobicContact CD1-CD2 3.4Å; L197-F222 HydrophobicContact CD1-CE2 3.49Å; L197-F222 VanDerWaalsContact CD1-CE2 3.49Å; L197-F222 HydrophobicContact CD1-CG 4.02Å; L197-F222 HydrophobicContact CD1-CZ 4.21Å; L197-F222 HydrophobicContact CG-CD2 4.3Å; L197-F222 HydrophobicContact CG-CG 4.48Å; L197-F222 VanDerWaalsContact N-CD1 3.32Å; L197-A224 PolarHBondContact N-O 3.28Å; L197-I225 HydrophobicContact CB-CG2 4.44Å; L197-I225 HydrophobicContact CD2-CG2 4.32Å; L197-T226 WeakPolarHBondContact O-CG2 3.48Å; L197-T226 PolarHBondContact O-N 3.21Å; L197-T226 PolarHBondContact O-OG1 3.44Å |
| 198 | P | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 24% | 0.244 | C | C | . | . | trans | -96.8 | -20.5 | 170.4 | 35.6 | -31.7 | 0 | 0 | 0 | 114 | V118 T119 V196 G200 S201 R213 T226 A232 | V118-P198 HydrophobicContact CB-CB 4.43Å; V118-P198 HydrophobicContact CB-CG 4.03Å; V118-P198 HydrophobicContact CG1-CB 4.22Å; V118-P198 HydrophobicContact CG1-CG 3.88Å; T119-P198 WeakPolarHBondContact OG1-CG 3.39Å; V196-P198 WeakPolarHBondContact O-CD 3.22Å; P198-G200 PolarHBondContact O-N 2.93Å; P198-S201 VanDerWaalsContact O-CB 3.3Å; P198-S201 WeakPolarHBondContact O-CB 3.41Å; P198-S201 PolarHBondContact O-N 3.47Å; P198-S201 PolarHBondContact O-OG 2.92Å; P198-R213 VanDerWaalsContact C-NH2 3.3Å; P198-R213 PolarHBondContact O-NH2 2.88Å; P198-T226 HydrophobicContact CB-CG2 4.2Å; P198-A232 HydrophobicContact CB-CB 4.08Å | ||
| 199 | L | 98.9 | Very high | 98.6 | Very high | 2 Ų | 2 | 45.6 Ų | 45.6 | 1% | 0.01 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | 126.3 | -177.9 | -167.2 | 63.2 | 0 | 0 | 0 | 113.3 | Y45 R111 T119 L197 R213 L216 L220 | Y45-L199 HydrophobicContact CD2-CD1 4.22Å; Y45-L199 HydrophobicContact CD2-CD2 4.08Å; Y45-L199 HydrophobicContact CD2-CG 4.13Å; R111-L199 HydrophobicContact CG-CD1 4.39Å; T119-L199 HydrophobicContact CG2-CB 4.02Å; T119-L199 HydrophobicContact CG2-CD2 4.47Å; T119-L199 WeakPolarHBondContact OG1-CA 3.45Å; T119-L199 VanDerWaalsContact OG1-CB 3.3Å; T119-L199 WeakPolarHBondContact OG1-CB 3.43Å; T119-L199 PolarHBondContact OG1-N 3.32Å; L197-L199 HydrophobicContact CD1-CB 3.82Å; L197-L199 HydrophobicContact CD2-CB 4.23Å; L197-L199 HydrophobicContact CG-CB 4.02Å; L199-R213 PolarHBondContact O-NE 2.69Å; L199-R213 PolarHBondContact O-NH2 3.29Å; L199-L216 HydrophobicContact CD2-CD1 4.24Å; L199-L216 HydrophobicContact CD2-CD2 4.17Å; L199-L216 HydrophobicContact CG-CD1 4.17Å; L199-L220 HydrophobicContact CD2-CD1 3.97Å |
| 200 | G | 98.6 | Very high | 98.5 | Very high | 3 Ų | 3 | 44.6 Ų | 44.6 | 3% | 0.031 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 104.1 | 5 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | D115 P198 G202 N207 | D115-G200 PolarHBondContact OD2-N 2.93Å; P198-G200 PolarHBondContact O-N 2.93Å; G200-G202 VanDerWaalsContact C-N 3.34Å; G200-N207 WeakPolarHBondContact O-CB 3.33Å; G200-N207 PolarHBondContact O-N 3.17Å |
| 201 | S | 98.8 | Very high | 98.4 | Very high | 2 Ų | 2 | 44.7 Ų | 44.7 | 1% | 0.014 | 27% | 0.266 | C | S | . | . | trans | -85.4 | -10.7 | 173 | -59.2 | 0 | 0 | 0 | 0 | 112.6 | D115 P198 G206 A232 | D115-S201 PolarHBondContact OD2-N 3.41Å; D115-S201 VanDerWaalsContact OD2-N 3.12Å; P198-S201 VanDerWaalsContact O-CB 3.3Å; P198-S201 WeakPolarHBondContact O-CB 3.41Å; P198-S201 PolarHBondContact O-N 3.47Å; P198-S201 PolarHBondContact O-OG 2.92Å; S201-G206 CarbonylContact O-C 3.53Å; S201-G206 WeakPolarHBondContact O-CA 3.39Å; S201-G206 PolarHBondContact O-N 3.43Å; S201-A232 WeakPolarHBondContact OG-CB 3.31Å | ||
| 202 | G | 98.3 | Very high | 98.4 | Very high | 3 Ų | 3 | 44.3 Ų | 44.3 | 3% | 0.031 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59.3 | -148.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | S112 D115 G200 T233 | S112-G202 WeakPolarHBondContact CB-O 3.43Å; D115-G202 WeakPolarHBondContact CB-O 3.47Å; D115-G202 VanDerWaalsContact CG-N 3.3Å; D115-G202 PolarHBondContact OD2-N 3.34Å; G200-G202 VanDerWaalsContact C-N 3.34Å; G202-T233 WeakPolarHBondContact O-CG2 3.46Å |
| 203 | A | 98.2 | Very high | 98.5 | Very high | 48 Ų | 48 | 38.5 Ų | 38.5 | 40% | 0.397 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -31.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | S112 N114 | S112-A203 VanDerWaalsContact CB-CA 3.49Å; S112-A203 VanDerWaalsContact CB-N 3.31Å; S112-A203 WeakPolarHBondContact OG-CA 3.49Å; N114-A203 PolarHBondContact ND2-O 2.94Å |
| 204 | I | 98.6 | Very high | 98.5 | Very high | 76 Ų | 76 | 37.2 Ų | 37.2 | 39% | 0.39 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -169 | -41.2 | -173 | -179 | 170.3 | 0 | 0 | 0 | 112.4 | S229 M230 T320 | I204-S229 CarbonylContact O-C 3.6Å; I204-S229 VanDerWaalsContact O-CB 3.26Å; I204-S229 WeakPolarHBondContact O-CB 3.35Å; I204-S229 PolarHBondContact O-OG 2.89Å; I204-M230 HydrophobicContact CG1-CG 3.89Å; I204-M230 PolarHBondContact O-N 3.09Å; I204-T320 HydrophobicContact CD1-CG2 4.42Å; I204-T320 WeakPolarHBondContact CD1-OG1 3.45Å; I204-T320 HydrophobicContact CG1-CG2 4.14Å |
| 205 | A | 98.5 | Very high | 98.4 | Very high | 89 Ų | 89 | 38.9 Ų | 38.9 | 74% | 0.736 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -106.6 | 12.9 | -164.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 206 | G | 98.6 | Very high | 98.4 | Very high | 24 Ų | 24 | 36.9 Ų | 36.9 | 25% | 0.247 | 24% | 0.239 | C | C | . | . | trans | 93.9 | 173.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | S201 S229 | S201-G206 CarbonylContact O-C 3.53Å; S201-G206 WeakPolarHBondContact O-CA 3.39Å; S201-G206 PolarHBondContact O-N 3.43Å; G206-S229 PolarHBondContact N-OG 3.16Å | ||
| 207 | N | 98.6 | Very high | 98.4 | Very high | 26 Ų | 26 | 39.2 Ų | 39.2 | 14% | 0.139 | 24% | 0.244 | C | C | . | . | trans | -76.2 | 122.9 | 174.3 | -176.8 | -83.1 | 0 | 0 | 0 | 110.6 | Y45 G110 G200 L209 G210 V211 | Y45-N207 PolarHBondContact OH-ND2 3.24Å; Y45-N207 VanDerWaalsContact OH-ND2 3.13Å; G110-N207 PolarHBondContact O-ND2 3.45Å; G200-N207 WeakPolarHBondContact O-CB 3.33Å; G200-N207 PolarHBondContact O-N 3.17Å; N207-L209 VanDerWaalsContact C-N 3.28Å; N207-L209 PolarHBondContact O-N 3.08Å; N207-L209 WeakPolarHBondContact OD1-CA 3.47Å; N207-L209 PolarHBondContact OD1-N 3.21Å; N207-G210 PolarHBondContact OD1-N 3.48Å; N207-V211 HydrophobicContact CB-CG2 3.82Å; N207-V211 WeakPolarHBondContact ND2-CG2 3.48Å; N207-V211 PolarHBondContact OD1-N 3.44Å | ||
| 208 | P | 98.1 | Very high | 98.4 | Very high | 105 Ų | 105 | 41.4 Ų | 41.4 | 68% | 0.682 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -5.3 | -173.9 | 30 | -32.3 | 0 | 0 | 0 | 114.2 | ||
| 209 | L | 98.3 | Very high | 98.4 | Very high | 75 Ų | 75 | 44.6 Ų | 44.6 | 39% | 0.393 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.5 | 11.3 | -170.8 | -53.8 | 174.8 | 0 | 0 | 0 | 112.9 | L54 T109 N207 V211 | L54-L209 HydrophobicContact CD1-CB 3.79Å; L54-L209 HydrophobicContact CD1-CD1 3.73Å; L54-L209 HydrophobicContact CD1-CG 4.39Å; L54-L209 HydrophobicContact CD2-CD1 4.28Å; T109-L209 HydrophobicContact CG2-CD1 3.35Å; N207-L209 VanDerWaalsContact C-N 3.28Å; N207-L209 PolarHBondContact O-N 3.08Å; N207-L209 WeakPolarHBondContact OD1-CA 3.47Å; N207-L209 PolarHBondContact OD1-N 3.21Å; L209-V211 VanDerWaalsContact C-N 3.34Å; L209-V211 PolarHBondContact O-N 2.9Å |
| 210 | G | 96 | Very high | 98.4 | Very high | 66 Ų | 66 | 44.6 Ų | 44.6 | 68% | 0.68 | 28% | 0.277 | S | S | * | . | trans | 66.6 | 30.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | N207 D212 | N207-G210 PolarHBondContact OD1-N 3.48Å; G210-D212 PolarHBondContact O-N 3.46Å | ||
| 211 | V | 97.8 | Very high | 98.4 | Very high | 9 Ų | 9 | 50 Ų | 50 | 6% | 0.055 | 31% | 0.306 | C | S | . | . | trans | -60.2 | 137.6 | 171.5 | -55.9 | 0 | 0 | 0 | 0 | 110.2 | Y45 L49 A52 L54 N207 L209 R213 L216 | Y45-V211 HydrophobicContact CE2-CG2 4.38Å; L49-V211 HydrophobicContact CD2-CG1 4.07Å; A52-V211 HydrophobicContact CB-CG1 4.16Å; L54-V211 HydrophobicContact CD1-CG1 4.45Å; N207-V211 HydrophobicContact CB-CG2 3.82Å; N207-V211 WeakPolarHBondContact ND2-CG2 3.48Å; N207-V211 PolarHBondContact OD1-N 3.44Å; L209-V211 VanDerWaalsContact C-N 3.34Å; L209-V211 PolarHBondContact O-N 2.9Å; V211-R213 PolarHBondContact O-N 2.87Å; V211-R213 VanDerWaalsContact O-N 3.16Å; V211-L216 HydrophobicContact CG2-CD1 4.12Å | ||
| 212 | D | 98.5 | Very high | 98.4 | Very high | 54 Ų | 54 | 50.3 Ų | 50.3 | 29% | 0.289 | 31% | 0.307 | S | S | . | . | trans | -73.7 | 107.7 | -177.2 | -176.4 | -16.6 | 0 | 0 | 0 | 110.9 | K51 G210 E214 L215 L216 | K51-D212 HydrophobicContact CD-CB 4.32Å; K51-D212 WeakPolarHBondContact CE-OD2 3.4Å; K51-D212 IonicContact NZ-OD2 3.57Å; K51-D212 PolarHBondContact NZ-OD2 3.32Å; G210-D212 PolarHBondContact O-N 3.46Å; D212-E214 VanDerWaalsContact C-N 3.3Å; D212-E214 PolarHBondContact O-N 3.38Å; D212-E214 WeakPolarHBondContact OD1-CA 3.36Å; D212-E214 WeakPolarHBondContact OD1-CB 3.47Å; D212-E214 PolarHBondContact OD1-N 3.05Å; D212-L215 HydrophobicContact CB-CB 3.93Å; D212-L215 WeakPolarHBondContact O-CB 3.38Å; D212-L215 PolarHBondContact O-N 3.38Å; D212-L215 PolarHBondContact OD1-N 3.05Å; D212-L215 VanDerWaalsContact OD1-N 3.07Å; D212-L216 WeakPolarHBondContact O-CG 3.48Å; D212-L216 PolarHBondContact O-N 2.84Å | ||
| 213 | R | 98.8 | Very high | 98.4 | Very high | 41 Ų | 41 | 53 Ų | 53 | 16% | 0.155 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -67.6 | -27.8 | 179 | -68.4 | -143.8 | 62.2 | -156 | -13.8 | 113.6 | L197 P198 L199 V211 L216 R217 I225 T226 | L197-R213 VanDerWaalsContact C-NH2 3.34Å; L197-R213 PolarHBondContact O-NH2 3.14Å; P198-R213 VanDerWaalsContact C-NH2 3.3Å; P198-R213 PolarHBondContact O-NH2 2.88Å; L199-R213 PolarHBondContact O-NE 2.69Å; L199-R213 PolarHBondContact O-NH2 3.29Å; V211-R213 PolarHBondContact O-N 2.87Å; V211-R213 VanDerWaalsContact O-N 3.16Å; R213-L216 PolarHBondContact O-N 3.01Å; R213-R217 WeakPolarHBondContact O-CB 3.21Å; R213-R217 PolarHBondContact O-N 3.18Å; R213-I225 HydrophobicContact CB-CD1 4.29Å; R213-I225 HydrophobicContact CB-CG2 4.28Å; R213-T226 PolarHBondContact NH1-OG1 3.42Å |
| 214 | E | 98.8 | Very high | 98.5 | Very high | 82 Ų | 82 | 52.8 Ų | 52.8 | 38% | 0.383 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -74.8 | -34.7 | 176.6 | -71.3 | -63.1 | 170.8 | 0 | 0 | 111.7 | D212 R217 A218 | D212-E214 VanDerWaalsContact C-N 3.3Å; D212-E214 PolarHBondContact O-N 3.38Å; D212-E214 WeakPolarHBondContact OD1-CA 3.36Å; D212-E214 WeakPolarHBondContact OD1-CB 3.47Å; D212-E214 PolarHBondContact OD1-N 3.05Å; E214-R217 PolarHBondContact O-N 3.13Å; E214-R217 IonicContact OE2-CZ 3.78Å; E214-R217 IonicContact OE2-NE 3.2Å; E214-R217 PolarHBondContact OE2-NE 3.34Å; E214-R217 IonicContact OE2-NH2 3.58Å; E214-R217 PolarHBondContact OE2-NH2 3.43Å; E214-A218 WeakPolarHBondContact O-CB 3.41Å; E214-A218 PolarHBondContact O-N 2.67Å |
| 215 | L | 98.7 | Very high | 98.5 | Very high | 35 Ų | 35 | 51.4 Ų | 51.4 | 18% | 0.183 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -58.7 | -51.4 | 167.9 | 171.9 | 65.5 | 0 | 0 | 0 | 110.4 | K51 D212 R217 A218 E219 | K51-L215 HydrophobicContact CB-CD2 3.84Å; K51-L215 HydrophobicContact CD-CB 4.37Å; K51-L215 HydrophobicContact CD-CD2 3.53Å; K51-L215 HydrophobicContact CD-CG 4.42Å; K51-L215 HydrophobicContact CG-CD2 4.31Å; D212-L215 HydrophobicContact CB-CB 3.93Å; D212-L215 WeakPolarHBondContact O-CB 3.38Å; D212-L215 PolarHBondContact O-N 3.38Å; D212-L215 PolarHBondContact OD1-N 3.05Å; D212-L215 VanDerWaalsContact OD1-N 3.07Å; L215-R217 PolarHBondContact O-N 2.94Å; L215-A218 PolarHBondContact O-N 3.12Å; L215-E219 HydrophobicContact CD1-CG 3.92Å; L215-E219 HydrophobicContact CG-CG 4.24Å; L215-E219 WeakPolarHBondContact O-CB 3.42Å; L215-E219 WeakPolarHBondContact O-CG 3.43Å; L215-E219 PolarHBondContact O-N 2.86Å |
| 216 | L | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59.4 | -38.5 | -179.8 | -64.3 | 173.3 | 0 | 0 | 0 | 111.7 | A44 Y45 L197 L199 V211 D212 R213 E219 L220 | A44-L216 WeakPolarHBondContact O-CD2 3.23Å; Y45-L216 HydrophobicContact CD2-CD1 4.29Å; Y45-L216 HydrophobicContact CD2-CD2 4.29Å; L197-L216 HydrophobicContact CD2-CB 3.69Å; L199-L216 HydrophobicContact CD2-CD1 4.24Å; L199-L216 HydrophobicContact CD2-CD2 4.17Å; L199-L216 HydrophobicContact CG-CD1 4.17Å; V211-L216 HydrophobicContact CG2-CD1 4.12Å; D212-L216 WeakPolarHBondContact O-CG 3.48Å; D212-L216 PolarHBondContact O-N 2.84Å; R213-L216 PolarHBondContact O-N 3.01Å; L216-E219 PolarHBondContact O-N 2.88Å; L216-L220 WeakPolarHBondContact O-CB 3.16Å; L216-L220 PolarHBondContact O-N 2.88Å; L216-L220 VanDerWaalsContact O-N 3.08Å |
| 217 | R | 98.8 | Very high | 98.5 | Very high | 84 Ų | 84 | 55.1 Ų | 55.1 | 32% | 0.317 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63.6 | -44.6 | 177.4 | -178.4 | -87 | -60.1 | 169.1 | -2.4 | 111.5 | L197 R213 E214 L215 N221 F222 I225 | L197-R217 HydrophobicContact CD2-CB 3.99Å; R213-R217 WeakPolarHBondContact O-CB 3.21Å; R213-R217 PolarHBondContact O-N 3.18Å; E214-R217 PolarHBondContact O-N 3.13Å; E214-R217 IonicContact OE2-CZ 3.78Å; E214-R217 IonicContact OE2-NE 3.2Å; E214-R217 PolarHBondContact OE2-NE 3.34Å; E214-R217 IonicContact OE2-NH2 3.58Å; E214-R217 PolarHBondContact OE2-NH2 3.43Å; L215-R217 PolarHBondContact O-N 2.94Å; R217-N221 PolarHBondContact O-N 3.49Å; R217-N221 VanDerWaalsContact O-N 3.07Å; R217-F222 WeakPolarHBondContact CD-O 3.36Å; R217-F222 HydrophobicContact CG-CB 4.04Å; R217-F222 PolarHBondContact O-N 2.95Å; R217-I225 HydrophobicContact CB-CG2 3.66Å; R217-I225 HydrophobicContact CG-CG2 3.91Å |
| 218 | A | 98.8 | Very high | 98.5 | Very high | 46 Ų | 46 | 57.7 Ų | 57.7 | 38% | 0.38 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -66.1 | -47.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | E214 L215 L220 N221 | E214-A218 WeakPolarHBondContact O-CB 3.41Å; E214-A218 PolarHBondContact O-N 2.67Å; L215-A218 PolarHBondContact O-N 3.12Å; A218-L220 VanDerWaalsContact C-N 3.29Å; A218-L220 PolarHBondContact O-N 3.47Å; A218-N221 PolarHBondContact O-N 2.93Å; A218-N221 VanDerWaalsContact O-N 3.09Å; A218-N221 PolarHBondContact O-OD1 3.2Å |
| 219 | E | 98.5 | Very high | 98.5 | Very high | 66 Ų | 66 | 54 Ų | 54 | 31% | 0.308 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -57.3 | -40.7 | 179.2 | -78.2 | -71.8 | 146.2 | 0 | 0 | 112.8 | A44 R47 L215 L216 | A44-E219 HydrophobicContact CB-CB 3.74Å; R47-E219 WeakPolarHBondContact CD-OE1 3.24Å; R47-E219 WeakPolarHBondContact CD-OE2 3.29Å; R47-E219 IonicContact CZ-OE2 2.69Å; R47-E219 IonicContact NE-OE2 3.44Å; R47-E219 IonicContact NH1-OE2 2.73Å; R47-E219 PolarHBondContact NH1-OE2 2.93Å; L215-E219 HydrophobicContact CD1-CG 3.92Å; L215-E219 HydrophobicContact CG-CG 4.24Å; L215-E219 WeakPolarHBondContact O-CB 3.42Å; L215-E219 WeakPolarHBondContact O-CG 3.43Å; L215-E219 PolarHBondContact O-N 2.86Å; L216-E219 PolarHBondContact O-N 2.88Å |
| 220 | L | 98.8 | Very high | 98.6 | Very high | 2 Ų | 2 | 54.3 Ų | 54.3 | 1% | 0.01 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | 3.5 | -179.4 | -65.2 | 176.5 | 0 | 0 | 0 | 113.5 | Q40 A44 T119 L123 R126 L197 L199 L216 A218 F222 | Q40-L220 HydrophobicContact CG-CD2 3.88Å; A44-L220 HydrophobicContact CB-CD1 4.01Å; A44-L220 HydrophobicContact CB-CD2 3.55Å; A44-L220 HydrophobicContact CB-CG 3.54Å; T119-L220 HydrophobicContact CG2-CD1 3.99Å; L123-L220 HydrophobicContact CD1-CD1 4.4Å; L123-L220 HydrophobicContact CD1-CD2 4.23Å; R126-L220 PolarHBondContact NH1-O 2.87Å; R126-L220 PolarHBondContact NH2-O 2.83Å; L197-L220 HydrophobicContact CD1-CB 4.41Å; L197-L220 HydrophobicContact CD1-CD1 3.7Å; L199-L220 HydrophobicContact CD2-CD1 3.97Å; L216-L220 WeakPolarHBondContact O-CB 3.16Å; L216-L220 PolarHBondContact O-N 2.88Å; L216-L220 VanDerWaalsContact O-N 3.08Å; A218-L220 VanDerWaalsContact C-N 3.29Å; A218-L220 PolarHBondContact O-N 3.47Å; L220-F222 VanDerWaalsContact C-N 3.28Å; L220-F222 HydrophobicContact CB-CD2 3.57Å; L220-F222 HydrophobicContact CB-CE2 3.82Å; L220-F222 HydrophobicContact CD1-CE2 4.33Å; L220-F222 PolarHBondContact O-N 2.92Å |
| 221 | N | 98.6 | Very high | 98.7 | Very high | 118 Ų | 118 | 55 Ų | 55 | 63% | 0.631 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.7 | 40.8 | -179.3 | -64.7 | -60.6 | 0 | 0 | 0 | 113.8 | R126 R217 A218 | R126-N221 PolarHBondContact NH1-O 3.42Å; R217-N221 PolarHBondContact O-N 3.49Å; R217-N221 VanDerWaalsContact O-N 3.07Å; A218-N221 PolarHBondContact O-N 2.93Å; A218-N221 VanDerWaalsContact O-N 3.09Å; A218-N221 PolarHBondContact O-OD1 3.2Å |
| 222 | F | 98.8 | Very high | 98.8 | Very high | 8 Ų | 8 | 54.6 Ų | 54.6 | 4% | 0.035 | 30% | 0.303 | C | S | . | . | trans | -79.5 | 152.9 | 171.2 | -84.3 | -92.8 | 0 | 0 | 0 | 111.1 | R122 L123 N195 L197 R217 L220 | R122-F222 HydrophobicContact CB-CE1 4.16Å; R122-F222 HydrophobicContact CB-CZ 4.25Å; L123-F222 HydrophobicContact CD1-CE2 4.49Å; L123-F222 HydrophobicContact CD2-CD2 4.49Å; L123-F222 HydrophobicContact CD2-CE2 3.55Å; L123-F222 HydrophobicContact CD2-CZ 3.94Å; L123-F222 HydrophobicContact CG-CE2 3.73Å; L123-F222 HydrophobicContact CG-CZ 3.81Å; N195-F222 WeakPolarHBondContact OD1-CA 3.33Å; L197-F222 HydrophobicContact CB-CB 3.75Å; L197-F222 HydrophobicContact CB-CD1 4.08Å; L197-F222 HydrophobicContact CB-CD2 3.99Å; L197-F222 HydrophobicContact CB-CG 3.69Å; L197-F222 HydrophobicContact CD1-CD2 3.4Å; L197-F222 HydrophobicContact CD1-CE2 3.49Å; L197-F222 VanDerWaalsContact CD1-CE2 3.49Å; L197-F222 HydrophobicContact CD1-CG 4.02Å; L197-F222 HydrophobicContact CD1-CZ 4.21Å; L197-F222 HydrophobicContact CG-CD2 4.3Å; L197-F222 HydrophobicContact CG-CG 4.48Å; L197-F222 VanDerWaalsContact N-CD1 3.32Å; R217-F222 WeakPolarHBondContact CD-O 3.36Å; R217-F222 HydrophobicContact CG-CB 4.04Å; R217-F222 PolarHBondContact O-N 2.95Å; L220-F222 VanDerWaalsContact C-N 3.28Å; L220-F222 HydrophobicContact CB-CD2 3.57Å; L220-F222 HydrophobicContact CB-CE2 3.82Å; L220-F222 HydrophobicContact CD1-CE2 4.33Å; L220-F222 PolarHBondContact O-N 2.92Å | ||
| 223 | G | 98.4 | Very high | 98.8 | Very high | 59 Ų | 59 | 52 Ų | 52 | 61% | 0.608 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -77.3 | -26.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | N195 | N195-G223 PolarHBondContact ND2-N 3.38Å; N195-G223 VanDerWaalsContact ND2-N 3.18Å; N195-G223 PolarHBondContact O-N 3.41Å |
| 224 | A | 98.8 | Very high | 98.8 | Very high | 44 Ų | 44 | 51.5 Ų | 51.5 | 36% | 0.364 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.6 | 175 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | V196 L197 | V196-A224 HydrophobicContact CG1-CB 4.38Å; L197-A224 PolarHBondContact N-O 3.28Å |
| 225 | I | 98.9 | Very high | 98.8 | Very high | 46 Ų | 46 | 48.6 Ų | 48.6 | 24% | 0.236 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 151.9 | 167.4 | 59.7 | 174.7 | 0 | 0 | 0 | 110.6 | V196 L197 R213 R217 | V196-I225 VanDerWaalsContact CG1-C 3.43Å; L197-I225 HydrophobicContact CB-CG2 4.44Å; L197-I225 HydrophobicContact CD2-CG2 4.32Å; R213-I225 HydrophobicContact CB-CD1 4.29Å; R213-I225 HydrophobicContact CB-CG2 4.28Å; R217-I225 HydrophobicContact CB-CG2 3.66Å; R217-I225 HydrophobicContact CG-CG2 3.91Å |
| 226 | T | 98.9 | Very high | 98.8 | Very high | 14 Ų | 14 | 47 Ų | 47 | 9% | 0.086 | 27% | 0.27 | C | S | . | . | trans | -62.7 | 145.3 | 170.1 | 50.7 | 0 | 0 | 0 | 0 | 111.2 | V196 L197 P198 R213 A232 | V196-T226 HydrophobicContact CG1-CG2 3.83Å; L197-T226 WeakPolarHBondContact O-CG2 3.48Å; L197-T226 PolarHBondContact O-N 3.21Å; L197-T226 PolarHBondContact O-OG1 3.44Å; P198-T226 HydrophobicContact CB-CG2 4.2Å; R213-T226 PolarHBondContact NH1-OG1 3.42Å; T226-A232 HydrophobicContact CG2-CB 3.7Å; T226-A232 WeakPolarHBondContact OG1-CB 3.41Å | ||
| 227 | L | 98.9 | Very high | 98.8 | Very high | 177 Ų | 177 | 52 Ų | 52 | 93% | 0.927 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -82.9 | -28.3 | -176.3 | -57.9 | -177 | 0 | 0 | 0 | 113.3 | ||
| 228 | N | 98.9 | Very high | 98.8 | Very high | 81 Ų | 81 | 48.2 Ų | 48.2 | 43% | 0.433 | 28% | 0.282 | S | S | . | . | trans | -137.7 | 133.5 | -173.1 | -175.5 | -59.8 | 0 | 0 | 0 | 110.2 | M230 D231 A232 | N228-M230 WeakPolarHBondContact OD1-CA 3.45Å; N228-M230 WeakPolarHBondContact OD1-CB 3.32Å; N228-M230 PolarHBondContact OD1-N 3.34Å; N228-D231 HydrophobicContact CB-CB 3.98Å; N228-D231 PolarHBondContact OD1-N 3.29Å; N228-A232 VanDerWaalsContact O-CB 3.22Å; N228-A232 WeakPolarHBondContact O-CB 3.5Å; N228-A232 PolarHBondContact O-N 3.43Å | ||
| 229 | S | 98.9 | Very high | 98.8 | Very high | 26 Ų | 26 | 46 Ų | 46 | 18% | 0.182 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -74.4 | -31.3 | -176.6 | 56 | 0 | 0 | 0 | 0 | 113.9 | I204 G206 T233 | I204-S229 CarbonylContact O-C 3.6Å; I204-S229 VanDerWaalsContact O-CB 3.26Å; I204-S229 WeakPolarHBondContact O-CB 3.35Å; I204-S229 PolarHBondContact O-OG 2.89Å; G206-S229 PolarHBondContact N-OG 3.16Å; S229-T233 WeakPolarHBondContact O-CG2 3.39Å; S229-T233 PolarHBondContact O-N 3.45Å; S229-T233 PolarHBondContact O-OG1 2.96Å |
| 230 | M | 98.9 | Very high | 98.8 | Very high | 83 Ų | 83 | 43.7 Ų | 43.7 | 41% | 0.409 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -67.3 | -47.7 | 175.6 | -62.8 | 176.5 | 66.6 | 0 | 0 | 109.7 | I204 N228 T233 S234 T320 | I204-M230 HydrophobicContact CG1-CG 3.89Å; I204-M230 PolarHBondContact O-N 3.09Å; N228-M230 WeakPolarHBondContact OD1-CA 3.45Å; N228-M230 WeakPolarHBondContact OD1-CB 3.32Å; N228-M230 PolarHBondContact OD1-N 3.34Å; M230-T233 PolarHBondContact O-N 3.32Å; M230-T233 PolarHBondContact O-OG1 3.05Å; M230-S234 WeakPolarHBondContact O-CB 3.46Å; M230-S234 PolarHBondContact O-N 3.26Å; M230-S234 PolarHBondContact O-OG 3.43Å; M230-T320 HydrophobicContact CB-CG2 3.83Å; M230-T320 WeakPolarHBondContact CE-OG1 3.48Å; M230-T320 HydrophobicContact CG-CG2 4.42Å; M230-T320 WeakPolarHBondContact O-CG2 3.32Å |
| 231 | D | 98.9 | Very high | 98.8 | Very high | 81 Ų | 81 | 46.6 Ų | 46.6 | 43% | 0.433 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -57.2 | -56.2 | 174.7 | 177.3 | 68.8 | 0 | 0 | 0 | 111.1 | N228 T233 S234 E235 | N228-D231 HydrophobicContact CB-CB 3.98Å; N228-D231 PolarHBondContact OD1-N 3.29Å; D231-T233 PolarHBondContact O-N 3.15Å; D231-S234 PolarHBondContact O-N 3.4Å; D231-S234 PolarHBondContact O-OG 3.3Å; D231-E235 VanDerWaalsContact O-CG 3.3Å; D231-E235 WeakPolarHBondContact O-CG 3.49Å; D231-E235 PolarHBondContact O-N 2.99Å |
| 232 | A | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -55.4 | -23.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | P198 S201 T226 N228 | P198-A232 HydrophobicContact CB-CB 4.08Å; S201-A232 WeakPolarHBondContact OG-CB 3.31Å; T226-A232 HydrophobicContact CG2-CB 3.7Å; T226-A232 WeakPolarHBondContact OG1-CB 3.41Å; N228-A232 VanDerWaalsContact O-CB 3.22Å; N228-A232 WeakPolarHBondContact O-CB 3.5Å; N228-A232 PolarHBondContact O-N 3.43Å |
| 233 | T | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -100.1 | -17.4 | -179.6 | 53 | 0 | 0 | 0 | 0 | 113.2 | N114 D115 G202 S229 M230 D231 R236 | N114-T233 HydrophobicContact CB-CG2 4.04Å; D115-T233 HydrophobicContact CB-CG2 4.06Å; G202-T233 WeakPolarHBondContact O-CG2 3.46Å; S229-T233 WeakPolarHBondContact O-CG2 3.39Å; S229-T233 PolarHBondContact O-N 3.45Å; S229-T233 PolarHBondContact O-OG1 2.96Å; M230-T233 PolarHBondContact O-N 3.32Å; M230-T233 PolarHBondContact O-OG1 3.05Å; D231-T233 PolarHBondContact O-N 3.15Å; T233-R236 PolarHBondContact O-NH1 3.46Å |
| 234 | S | 98.8 | Very high | 98.9 | Very high | 30 Ų | 30 | 43.6 Ų | 43.6 | 21% | 0.21 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -110.8 | -32.4 | -175.4 | 59.2 | 0 | 0 | 0 | 0 | 114.5 | M230 D231 T320 L325 | M230-S234 WeakPolarHBondContact O-CB 3.46Å; M230-S234 PolarHBondContact O-N 3.26Å; M230-S234 PolarHBondContact O-OG 3.43Å; D231-S234 PolarHBondContact O-N 3.4Å; D231-S234 PolarHBondContact O-OG 3.3Å; S234-T320 WeakPolarHBondContact CB-O 3.42Å; S234-L325 WeakPolarHBondContact O-CD1 3.5Å |
| 235 | E | 98.7 | Very high | 98.9 | Very high | 20 Ų | 20 | 41.6 Ų | 41.6 | 9% | 0.093 | 22% | 0.218 | C | C | . | . | trans | -70.2 | 147.9 | -177.5 | 73.6 | 76.7 | -158.9 | 0 | 0 | 112.1 | R122 D231 D237 F238 | R122-E235 IonicContact CZ-OE1 3.43Å; R122-E235 IonicContact NE-OE1 2.7Å; R122-E235 IonicContact NH2-OE1 3.68Å; R122-E235 PolarHBondContact NH2-OE1 3.38Å; R122-E235 IonicContact NH2-OE2 3.56Å; D231-E235 VanDerWaalsContact O-CG 3.3Å; D231-E235 WeakPolarHBondContact O-CG 3.49Å; D231-E235 PolarHBondContact O-N 2.99Å; E235-D237 PolarHBondContact OE2-N 3.21Å; E235-F238 WeakPolarHBondContact OE1-CD1 3.49Å; E235-F238 WeakPolarHBondContact OE2-CD1 3.31Å | ||
| 236 | R | 98.9 | Very high | 98.9 | Very high | 3 Ų | 3 | 39.4 Ų | 39.4 | 1% | 0.011 | 21% | 0.207 | C | C | . | . | trans | -136.9 | 29.7 | 171.6 | -65.5 | -62.4 | -176.3 | -77.3 | -3.5 | 111 | T233 F238 V239 A240 L314 L325 D328 | T233-R236 PolarHBondContact O-NH1 3.46Å; R236-F238 VanDerWaalsContact C-N 3.26Å; R236-F238 PolarHBondContact O-N 2.89Å; R236-V239 HydrophobicContact CB-CB 4.38Å; R236-V239 HydrophobicContact CB-CG2 4.32Å; R236-V239 WeakPolarHBondContact O-CA 3.38Å; R236-V239 WeakPolarHBondContact O-CB 3.28Å; R236-V239 PolarHBondContact O-N 3.42Å; R236-A240 PolarHBondContact O-N 3.44Å; R236-L314 HydrophobicContact CB-CD1 4.21Å; R236-L314 HydrophobicContact CB-CD2 3.99Å; R236-L314 HydrophobicContact CG-CD2 4.29Å; R236-L325 HydrophobicContact CG-CD2 3.9Å; R236-D328 WeakPolarHBondContact CD-OD2 3.43Å; R236-D328 IonicContact CZ-OD2 2.74Å; R236-D328 IonicContact NE-OD2 2.62Å; R236-D328 PolarHBondContact NE-OD2 2.96Å; R236-D328 IonicContact NH2-OD2 3.74Å | ||
| 237 | D | 98.9 | Very high | 98.9 | Very high | 105 Ų | 105 | 39.1 Ų | 39.1 | 56% | 0.561 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -61.7 | -40.1 | -178 | -72.2 | 3.2 | 0 | 0 | 0 | 110.1 | E235 V239 A240 E241 | E235-D237 PolarHBondContact OE2-N 3.21Å; D237-V239 PolarHBondContact O-N 2.95Å; D237-V239 VanDerWaalsContact O-N 3.17Å; D237-A240 PolarHBondContact O-N 3.32Å; D237-A240 VanDerWaalsContact O-N 3.13Å; D237-E241 WeakPolarHBondContact O-CB 3.37Å; D237-E241 WeakPolarHBondContact O-CG 3.38Å; D237-E241 PolarHBondContact O-N 2.94Å |
| 238 | F | 98.9 | Very high | 98.9 | Very high | 3 Ų | 3 | 32.9 Ų | 32.9 | 1% | 0.013 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59.5 | -28.2 | 175.9 | 72.3 | -83.7 | 0 | 0 | 0 | 113.1 | V118 L121 R122 M125 I194 E235 R236 F242 | V118-F238 HydrophobicContact CG1-CE1 4.08Å; V118-F238 HydrophobicContact CG1-CZ 4.16Å; L121-F238 HydrophobicContact CD2-CE2 4.02Å; L121-F238 HydrophobicContact CD2-CZ 3.97Å; L121-F238 HydrophobicContact CG-CE2 4.04Å; L121-F238 HydrophobicContact CG-CZ 4.33Å; R122-F238 HydrophobicContact CG-CD1 4.47Å; R122-F238 HydrophobicContact CG-CD2 3.97Å; R122-F238 HydrophobicContact CG-CE1 4.2Å; R122-F238 HydrophobicContact CG-CE2 3.65Å; R122-F238 HydrophobicContact CG-CG 4.37Å; R122-F238 HydrophobicContact CG-CZ 3.77Å; M125-F238 HydrophobicContact CE-CD2 4.15Å; M125-F238 HydrophobicContact SD-CD2 3.57Å; M125-F238 VanDerWaalsContact SD-CD2 3.57Å; M125-F238 HydrophobicContact SD-CE2 3.5Å; M125-F238 WeakPolarHBondContact SD-CE2 3.44Å; I194-F238 HydrophobicContact CG1-CB 3.99Å; I194-F238 HydrophobicContact CG1-CD2 4.33Å; E235-F238 WeakPolarHBondContact OE1-CD1 3.49Å; E235-F238 WeakPolarHBondContact OE2-CD1 3.31Å; R236-F238 VanDerWaalsContact C-N 3.26Å; R236-F238 PolarHBondContact O-N 2.89Å; F238-F242 WeakPolarHBondContact O-CB 3.34Å; F238-F242 PolarHBondContact O-N 2.8Å |
| 239 | V | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -78.7 | -48.1 | 174.3 | -174.7 | 0 | 0 | 0 | 0 | 110.4 | L121 M125 R236 D237 E241 F242 L243 L310 D328 V332 | L121-V239 HydrophobicContact CD2-CG2 4.01Å; M125-V239 HydrophobicContact SD-CG2 4.24Å; R236-V239 HydrophobicContact CB-CB 4.38Å; R236-V239 HydrophobicContact CB-CG2 4.32Å; R236-V239 WeakPolarHBondContact O-CA 3.38Å; R236-V239 WeakPolarHBondContact O-CB 3.28Å; R236-V239 PolarHBondContact O-N 3.42Å; D237-V239 PolarHBondContact O-N 2.95Å; D237-V239 VanDerWaalsContact O-N 3.17Å; V239-E241 VanDerWaalsContact C-N 3.33Å; V239-E241 PolarHBondContact O-N 3.46Å; V239-F242 PolarHBondContact O-N 2.62Å; V239-L243 HydrophobicContact CG1-CD1 4.21Å; V239-L243 HydrophobicContact CG1-CG 4.4Å; V239-L243 WeakPolarHBondContact O-CG 3.13Å; V239-L243 PolarHBondContact O-N 3.37Å; V239-L310 HydrophobicContact CB-CD2 3.83Å; V239-L310 HydrophobicContact CG1-CD2 3.35Å; V239-D328 HydrophobicContact CG2-CB 4.4Å; V239-V332 HydrophobicContact CB-CG2 4.37Å; V239-V332 HydrophobicContact CG1-CG2 3.39Å; V239-V332 HydrophobicContact CG2-CG2 4.22Å |
| 240 | A | 98.9 | Very high | 98.9 | Very high | 17 Ų | 17 | 27.8 Ų | 27.8 | 14% | 0.14 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -59.9 | -43.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | R236 D237 L243 F244 L310 | R236-A240 PolarHBondContact O-N 3.44Å; D237-A240 PolarHBondContact O-N 3.32Å; D237-A240 VanDerWaalsContact O-N 3.13Å; A240-L243 PolarHBondContact O-N 3.35Å; A240-F244 WeakPolarHBondContact O-CB 3.27Å; A240-F244 PolarHBondContact O-N 2.89Å; A240-L310 HydrophobicContact CB-CD2 4.33Å |
| 241 | E | 98.9 | Very high | 98.9 | Very high | 64 Ų | 64 | 27.5 Ų | 27.5 | 30% | 0.299 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -62 | -42.4 | 175.2 | -75.1 | -167.6 | 161.2 | 0 | 0 | 112.2 | V190 R193 D237 V239 F244 W245 | V190-E241 HydrophobicContact CG1-CB 4.35Å; V190-E241 HydrophobicContact CG2-CB 4.06Å; R193-E241 IonicContact CZ-OE1 2.85Å; R193-E241 IonicContact CZ-OE2 2.77Å; R193-E241 VanDerWaalsContact CZ-OE2 3.25Å; R193-E241 VanDerWaalsContact NE-CD 3.31Å; R193-E241 IonicContact NE-OE1 3.46Å; R193-E241 PolarHBondContact NE-OE1 3.09Å; R193-E241 IonicContact NE-OE2 3.63Å; R193-E241 PolarHBondContact NE-OE2 3.43Å; R193-E241 IonicContact NH2-OE1 3.94Å; R193-E241 PolarHBondContact NH2-OE1 2.96Å; R193-E241 IonicContact NH2-OE2 3.52Å; R193-E241 PolarHBondContact NH2-OE2 3.46Å; D237-E241 WeakPolarHBondContact O-CB 3.37Å; D237-E241 WeakPolarHBondContact O-CG 3.38Å; D237-E241 PolarHBondContact O-N 2.94Å; V239-E241 VanDerWaalsContact C-N 3.33Å; V239-E241 PolarHBondContact O-N 3.46Å; E241-F244 PolarHBondContact O-N 3.35Å; E241-W245 WeakPolarHBondContact O-CB 3.49Å; E241-W245 PolarHBondContact O-N 2.9Å |
| 242 | F | 99 | Very high | 98.9 | Very high | 1 Ų | 1 | 25.2 Ų | 25.2 | 0% | 0.004 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -62.3 | -45.3 | 175.4 | 170.1 | -101.5 | 0 | 0 | 0 | 111.8 | M125 L132 V190 F238 V239 F244 W245 A246 V332 V335 S336 | M125-F242 HydrophobicContact CE-CB 3.49Å; M125-F242 VanDerWaalsContact CE-CB 3.49Å; M125-F242 HydrophobicContact CE-CD1 3.89Å; M125-F242 HydrophobicContact CE-CD2 4.18Å; M125-F242 HydrophobicContact CE-CG 3.58Å; L132-F242 HydrophobicContact CD1-CE2 3.79Å; L132-F242 HydrophobicContact CD1-CZ 4.06Å; V190-F242 HydrophobicContact CG1-CB 4.46Å; F238-F242 WeakPolarHBondContact O-CB 3.34Å; F238-F242 PolarHBondContact O-N 2.8Å; V239-F242 PolarHBondContact O-N 2.62Å; F242-F244 VanDerWaalsContact C-N 3.33Å; F242-F244 PolarHBondContact O-N 3.16Å; F242-W245 AromaticContact CD2-CE3 3.76Å; F242-W245 HydrophobicContact CD2-CE3 3.76Å; F242-W245 HydrophobicContact CD2-CZ3 4.03Å; F242-W245 AromaticContact CE2-CE3 3.73Å; F242-W245 HydrophobicContact CE2-CE3 3.73Å; F242-W245 AromaticContact CE2-CZ3 3.49Å; F242-W245 HydrophobicContact CE2-CZ3 3.49Å; F242-W245 VanDerWaalsContact CE2-CZ3 3.49Å; F242-W245 HydrophobicContact CZ-CZ3 4.16Å; F242-W245 WeakPolarHBondContact O-CB 3.5Å; F242-W245 PolarHBondContact O-N 3.5Å; F242-A246 WeakPolarHBondContact O-CB 3.43Å; F242-A246 PolarHBondContact O-N 2.68Å; F242-V332 HydrophobicContact CE1-CG1 4.47Å; F242-V335 HydrophobicContact CE1-CB 4.23Å; F242-V335 HydrophobicContact CE1-CG1 3.84Å; F242-V335 HydrophobicContact CZ-CG1 4.24Å; F242-S336 WeakPolarHBondContact CZ-OG 3.17Å |
| 243 | L | 99 | Very high | 98.9 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -65.9 | -37 | 178.7 | -66 | 178.5 | 0 | 0 | 0 | 112 | V239 A240 A246 S247 R306 C307 L310 A331 V335 | V239-L243 HydrophobicContact CG1-CD1 4.21Å; V239-L243 HydrophobicContact CG1-CG 4.4Å; V239-L243 WeakPolarHBondContact O-CG 3.13Å; V239-L243 PolarHBondContact O-N 3.37Å; A240-L243 PolarHBondContact O-N 3.35Å; L243-A246 PolarHBondContact O-N 3.4Å; L243-S247 WeakPolarHBondContact O-CB 3.36Å; L243-S247 PolarHBondContact O-N 2.95Å; L243-S247 PolarHBondContact O-OG 3.47Å; L243-R306 HydrophobicContact CD2-CB 4.41Å; L243-C307 HydrophobicContact CB-CB 3.8Å; L243-L310 HydrophobicContact CD1-CB 3.81Å; L243-L310 HydrophobicContact CD1-CD2 3.51Å; L243-L310 HydrophobicContact CD1-CG 4.31Å; L243-A331 HydrophobicContact CD1-CB 4.1Å; L243-V335 HydrophobicContact CD2-CB 3.83Å; L243-V335 HydrophobicContact CD2-CG1 4.03Å; L243-V335 HydrophobicContact CD2-CG2 3.58Å |
| 244 | F | 99 | Very high | 98.9 | Very high | 121 Ų | 121 | 26.6 Ų | 26.6 | 53% | 0.531 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -66.2 | -45.4 | 173.8 | 178.3 | -103.8 | 0 | 0 | 0 | 111.6 | A240 E241 F242 A246 S247 L248 | A240-F244 WeakPolarHBondContact O-CB 3.27Å; A240-F244 PolarHBondContact O-N 2.89Å; E241-F244 PolarHBondContact O-N 3.35Å; F242-F244 VanDerWaalsContact C-N 3.33Å; F242-F244 PolarHBondContact O-N 3.16Å; F244-A246 VanDerWaalsContact C-N 3.32Å; F244-A246 PolarHBondContact O-N 3.44Å; F244-S247 WeakPolarHBondContact O-CB 3.28Å; F244-S247 PolarHBondContact O-N 3.38Å; F244-L248 HydrophobicContact CE1-CD2 4.38Å; F244-L248 HydrophobicContact CZ-CD2 4.43Å; F244-L248 PolarHBondContact O-N 3.4Å |
| 245 | W | 98.9 | Very high | 98.9 | Very high | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.008 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -53.5 | -50.7 | 173.6 | 161.2 | 79.9 | 0 | 0 | 0 | 111.2 | L132 D183 L187 E241 F242 S247 L248 C249 M339 | L132-W245 HydrophobicContact CB-CH2 4.22Å; L132-W245 HydrophobicContact CD1-CH2 3.96Å; L132-W245 HydrophobicContact CD1-CZ3 3.97Å; D183-W245 PolarHBondContact O-NE1 3.4Å; L187-W245 HydrophobicContact CB-CD2 4.5Å; L187-W245 HydrophobicContact CB-CZ2 4.24Å; L187-W245 HydrophobicContact CD1-CD2 3.89Å; L187-W245 HydrophobicContact CD1-CE3 4.08Å; L187-W245 HydrophobicContact CD1-CG 4.47Å; L187-W245 HydrophobicContact CD1-CH2 4.25Å; L187-W245 HydrophobicContact CD1-CZ2 4.04Å; L187-W245 HydrophobicContact CD1-CZ3 4.27Å; L187-W245 HydrophobicContact CD2-CH2 4.09Å; L187-W245 HydrophobicContact CD2-CZ2 3.66Å; L187-W245 HydrophobicContact CG-CZ2 4.19Å; E241-W245 WeakPolarHBondContact O-CB 3.49Å; E241-W245 PolarHBondContact O-N 2.9Å; F242-W245 AromaticContact CD2-CE3 3.76Å; F242-W245 HydrophobicContact CD2-CE3 3.76Å; F242-W245 HydrophobicContact CD2-CZ3 4.03Å; F242-W245 AromaticContact CE2-CE3 3.73Å; F242-W245 HydrophobicContact CE2-CE3 3.73Å; F242-W245 AromaticContact CE2-CZ3 3.49Å; F242-W245 HydrophobicContact CE2-CZ3 3.49Å; F242-W245 VanDerWaalsContact CE2-CZ3 3.49Å; F242-W245 HydrophobicContact CZ-CZ3 4.16Å; F242-W245 WeakPolarHBondContact O-CB 3.5Å; F242-W245 PolarHBondContact O-N 3.5Å; W245-S247 VanDerWaalsContact C-N 3.31Å; W245-S247 PolarHBondContact O-N 3.23Å; W245-L248 PolarHBondContact O-N 2.98Å; W245-C249 WeakPolarHBondContact O-CB 3.21Å; W245-C249 PolarHBondContact O-N 3.35Å; W245-M339 HydrophobicContact CH2-CE 4.03Å; W245-M339 HydrophobicContact CH2-CG 4.46Å; W245-M339 HydrophobicContact CZ2-CE 4.49Å; W245-M339 HydrophobicContact CZ3-CE 4.44Å; W245-M339 HydrophobicContact CZ3-CG 4.22Å |
| 246 | A | 99 | Very high | 98.9 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.8 | -41.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | F242 L243 F244 C249 M250 V303 V335 M339 | F242-A246 WeakPolarHBondContact O-CB 3.43Å; F242-A246 PolarHBondContact O-N 2.68Å; L243-A246 PolarHBondContact O-N 3.4Å; F244-A246 VanDerWaalsContact C-N 3.32Å; F244-A246 PolarHBondContact O-N 3.44Å; A246-C249 PolarHBondContact O-N 3.16Å; A246-M250 WeakPolarHBondContact O-CB 3.37Å; A246-M250 VanDerWaalsContact O-CG 3.29Å; A246-M250 WeakPolarHBondContact O-CG 3.2Å; A246-M250 PolarHBondContact O-N 3.16Å; A246-V303 HydrophobicContact CB-CG1 3.59Å; A246-V335 HydrophobicContact CB-CG1 3.44Å; A246-V335 VanDerWaalsContact CB-CG1 3.44Å; A246-M339 HydrophobicContact CB-CG 3.87Å; A246-M339 HydrophobicContact CB-SD 3.93Å |
| 247 | S | 99 | Very high | 98.9 | Very high | 8 Ų | 8 | 32 Ų | 32 | 6% | 0.056 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.1 | -43.2 | 178.5 | -59.2 | 0 | 0 | 0 | 0 | 112.5 | L243 F244 W245 M250 T251 F304 | L243-S247 WeakPolarHBondContact O-CB 3.36Å; L243-S247 PolarHBondContact O-N 2.95Å; L243-S247 PolarHBondContact O-OG 3.47Å; F244-S247 WeakPolarHBondContact O-CB 3.28Å; F244-S247 PolarHBondContact O-N 3.38Å; W245-S247 VanDerWaalsContact C-N 3.31Å; W245-S247 PolarHBondContact O-N 3.23Å; S247-M250 PolarHBondContact O-N 3.09Å; S247-T251 PolarHBondContact O-N 3.45Å; S247-T251 PolarHBondContact O-OG1 3.33Å; S247-F304 WeakPolarHBondContact OG-CA 3.44Å |
| 248 | L | 98.9 | Very high | 98.9 | Very high | 46 Ų | 46 | 31.2 Ų | 31.2 | 24% | 0.241 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -70.6 | -40.7 | 178.6 | -174.3 | 58.1 | 0 | 0 | 0 | 111.6 | F244 W245 M250 T251 H252 | F244-L248 HydrophobicContact CE1-CD2 4.38Å; F244-L248 HydrophobicContact CZ-CD2 4.43Å; F244-L248 PolarHBondContact O-N 3.4Å; W245-L248 PolarHBondContact O-N 2.98Å; L248-M250 VanDerWaalsContact C-N 3.33Å; L248-M250 PolarHBondContact O-N 3.04Å; L248-T251 VanDerWaalsContact O-CB 3.28Å; L248-T251 WeakPolarHBondContact O-CB 3.48Å; L248-T251 PolarHBondContact O-N 3.41Å; L248-T251 VanDerWaalsContact O-N 3.09Å; L248-H252 PolarHBondContact O-N 2.94Å |
| 249 | C | 99 | Very high | 98.9 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -59 | -45.2 | 173 | -174.4 | 0 | 0 | 0 | 0 | 111.3 | D183 W245 A246 T251 H252 L253 M339 | D183-C249 HydrophobicContact CB-CB 4.2Å; D183-C249 WeakPolarHBondContact OD2-CA 3.48Å; W245-C249 WeakPolarHBondContact O-CB 3.21Å; W245-C249 PolarHBondContact O-N 3.35Å; A246-C249 PolarHBondContact O-N 3.16Å; C249-T251 PolarHBondContact O-N 2.71Å; C249-H252 PolarHBondContact O-N 2.79Å; C249-H252 VanDerWaalsContact O-N 3.12Å; C249-L253 PolarHBondContact O-N 3.06Å; C249-M339 HydrophobicContact CB-CE 3.91Å |
| 250 | M | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63.8 | -28.1 | 175.2 | -75.3 | -54.7 | -56.3 | 0 | 0 | 113.6 | A246 S247 L248 L253 S254 I296 K299 A300 V303 M339 V342 | A246-M250 WeakPolarHBondContact O-CB 3.37Å; A246-M250 VanDerWaalsContact O-CG 3.29Å; A246-M250 WeakPolarHBondContact O-CG 3.2Å; A246-M250 PolarHBondContact O-N 3.16Å; S247-M250 PolarHBondContact O-N 3.09Å; L248-M250 VanDerWaalsContact C-N 3.33Å; L248-M250 PolarHBondContact O-N 3.04Å; M250-L253 PolarHBondContact O-N 3.1Å; M250-L253 HydrophobicContact SD-CD1 4.13Å; M250-S254 VanDerWaalsContact O-CB 3.29Å; M250-S254 WeakPolarHBondContact O-CB 3.4Å; M250-S254 PolarHBondContact O-N 2.71Å; M250-S254 PolarHBondContact O-OG 3.42Å; M250-I296 HydrophobicContact CE-CG2 4.44Å; M250-I296 WeakPolarHBondContact CE-O 3.29Å; M250-K299 HydrophobicContact CE-CB 3.66Å; M250-A300 HydrophobicContact CB-CB 3.94Å; M250-A300 HydrophobicContact CE-CB 4.31Å; M250-V303 HydrophobicContact CG-CB 4.18Å; M250-V303 HydrophobicContact CG-CG1 4.38Å; M250-V303 HydrophobicContact CG-CG2 3.99Å; M250-M339 HydrophobicContact CG-CE 4.48Å; M250-M339 HydrophobicContact CG-SD 3.61Å; M250-M339 HydrophobicContact SD-CE 4.38Å; M250-M339 HydrophobicContact SD-SD 3.73Å; M250-V342 HydrophobicContact CE-CG1 4.07Å; M250-V342 HydrophobicContact CE-CG2 4.26Å; M250-V342 HydrophobicContact SD-CB 4.27Å; M250-V342 HydrophobicContact SD-CG1 3.7Å; M250-V342 HydrophobicContact SD-CG2 4.31Å |
| 251 | T | 99 | Very high | 98.9 | Very high | 76 Ų | 76 | 32.8 Ų | 32.8 | 47% | 0.466 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -64.4 | -45.2 | 173 | -60.3 | 0 | 0 | 0 | 0 | 110.3 | S247 L248 C249 S254 R255 | S247-T251 PolarHBondContact O-N 3.45Å; S247-T251 PolarHBondContact O-OG1 3.33Å; L248-T251 VanDerWaalsContact O-CB 3.28Å; L248-T251 WeakPolarHBondContact O-CB 3.48Å; L248-T251 PolarHBondContact O-N 3.41Å; L248-T251 VanDerWaalsContact O-N 3.09Å; C249-T251 PolarHBondContact O-N 2.71Å; T251-S254 PolarHBondContact O-N 3.24Å; T251-S254 PolarHBondContact O-OG 3.22Å; T251-R255 PolarHBondContact O-N 2.94Å; T251-R255 VanDerWaalsContact O-N 3.13Å |
| 252 | H | 98.9 | Very high | 98.9 | Very high | 34 Ų | 34 | 31.6 Ų | 31.6 | 16% | 0.157 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -65.1 | -43.8 | 175.9 | -59.7 | 141.2 | 0 | 0 | 0 | 112 | A179 L180 D183 L248 C249 S254 R255 M256 | A179-H252 HydrophobicContact CB-CB 4.42Å; L180-H252 HydrophobicContact CD2-CB 4.44Å; D183-H252 IonicContact OD1-CE1 2.72Å; D183-H252 PolarHBondContact OD1-CE1 3.13Å; D183-H252 IonicContact OD1-ND1 3.94Å; D183-H252 PolarHBondContact OD1-ND1 3.49Å; D183-H252 IonicContact OD2-CE1 2.83Å; D183-H252 PolarHBondContact OD2-CE1 3.35Å; D183-H252 IonicContact OD2-CG 2.69Å; D183-H252 IonicContact OD2-ND1 3.15Å; D183-H252 PolarHBondContact OD2-ND1 3.31Å; L248-H252 PolarHBondContact O-N 2.94Å; C249-H252 PolarHBondContact O-N 2.79Å; C249-H252 VanDerWaalsContact O-N 3.12Å; H252-S254 VanDerWaalsContact C-N 3.32Å; H252-S254 PolarHBondContact O-N 3.42Å; H252-R255 WeakPolarHBondContact O-CB 3.26Å; H252-R255 PolarHBondContact O-N 2.91Å; H252-R255 VanDerWaalsContact O-N 3.15Å; H252-M256 PolarHBondContact O-N 3.27Å; H252-M256 VanDerWaalsContact O-N 3.07Å |
| 253 | L | 98.9 | Very high | 98.9 | Very high | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -64.9 | -34.8 | 176.6 | -66.3 | 176.8 | 0 | 0 | 0 | 112.5 | L139 L180 C249 M250 R255 M256 A257 I296 V342 L343 A346 | L139-L253 HydrophobicContact CD2-CD2 3.93Å; L180-L253 HydrophobicContact CD1-CD2 4.3Å; L180-L253 HydrophobicContact CD2-CD2 4.02Å; L180-L253 HydrophobicContact CD2-CG 4.3Å; C249-L253 PolarHBondContact O-N 3.06Å; M250-L253 PolarHBondContact O-N 3.1Å; M250-L253 HydrophobicContact SD-CD1 4.13Å; L253-R255 VanDerWaalsContact C-N 3.3Å; L253-R255 PolarHBondContact O-N 3.17Å; L253-M256 HydrophobicContact CD2-CE 4.04Å; L253-M256 PolarHBondContact O-N 3.3Å; L253-A257 WeakPolarHBondContact O-CB 3.35Å; L253-A257 PolarHBondContact O-N 2.9Å; L253-I296 HydrophobicContact CB-CG2 3.89Å; L253-V342 HydrophobicContact CD1-CG1 3.53Å; L253-L343 HydrophobicContact CD1-CD2 4.18Å; L253-A346 HydrophobicContact CD2-CB 4.42Å |
| 254 | S | 98.9 | Very high | 98.9 | Very high | 28 Ų | 28 | 33 Ų | 33 | 20% | 0.196 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -65.4 | -34.1 | 173.8 | 73.1 | 0 | 0 | 0 | 0 | 112.5 | M250 T251 H252 A257 E258 | M250-S254 VanDerWaalsContact O-CB 3.29Å; M250-S254 WeakPolarHBondContact O-CB 3.4Å; M250-S254 PolarHBondContact O-N 2.71Å; M250-S254 PolarHBondContact O-OG 3.42Å; T251-S254 PolarHBondContact O-N 3.24Å; T251-S254 PolarHBondContact O-OG 3.22Å; H252-S254 VanDerWaalsContact C-N 3.32Å; H252-S254 PolarHBondContact O-N 3.42Å; S254-A257 PolarHBondContact O-N 2.85Å; S254-E258 PolarHBondContact O-N 3.42Å |
| 255 | R | 98.9 | Very high | 98.9 | Very high | 164 Ų | 164 | 29.2 Ų | 29.2 | 62% | 0.619 | 15% | 0.147 | S | C | * | . | H | α-helix | trans | -68.9 | -44.7 | 176.2 | -172.2 | -172 | 175 | 174.4 | -0.8 | 111.1 | T251 H252 L253 A257 E258 D259 | T251-R255 PolarHBondContact O-N 2.94Å; T251-R255 VanDerWaalsContact O-N 3.13Å; H252-R255 WeakPolarHBondContact O-CB 3.26Å; H252-R255 PolarHBondContact O-N 2.91Å; H252-R255 VanDerWaalsContact O-N 3.15Å; L253-R255 VanDerWaalsContact C-N 3.3Å; L253-R255 PolarHBondContact O-N 3.17Å; R255-A257 VanDerWaalsContact C-N 3.28Å; R255-A257 PolarHBondContact O-N 2.85Å; R255-E258 WeakPolarHBondContact O-CB 3.41Å; R255-E258 PolarHBondContact O-N 3.39Å; R255-D259 PolarHBondContact O-N 3.37Å; R255-D259 VanDerWaalsContact O-N 3.08Å |
| 256 | M | 98.9 | Very high | 98.8 | Very high | 2 Ų | 2 | 35.2 Ų | 35.2 | 1% | 0.01 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.6 | -41.2 | 173.8 | -175.8 | -175.7 | 71.4 | 0 | 0 | 111.2 | M143 W172 H252 L253 D259 L260 A346 | M143-M256 HydrophobicContact CE-SD 4.05Å; W172-M256 HydrophobicContact CH2-CG 4.3Å; H252-M256 PolarHBondContact O-N 3.27Å; H252-M256 VanDerWaalsContact O-N 3.07Å; L253-M256 HydrophobicContact CD2-CE 4.04Å; L253-M256 PolarHBondContact O-N 3.3Å; M256-D259 PolarHBondContact O-N 3.09Å; M256-L260 HydrophobicContact CG-CD1 4.07Å; M256-L260 WeakPolarHBondContact O-CB 3.41Å; M256-L260 WeakPolarHBondContact O-CG 3.41Å; M256-L260 PolarHBondContact O-N 3.17Å; M256-A346 HydrophobicContact CE-CB 4.11Å |
| 257 | A | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.4 | -44.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L253 S254 R255 D259 L260 I261 L293 I296 R297 | L253-A257 WeakPolarHBondContact O-CB 3.35Å; L253-A257 PolarHBondContact O-N 2.9Å; S254-A257 PolarHBondContact O-N 2.85Å; R255-A257 VanDerWaalsContact C-N 3.28Å; R255-A257 PolarHBondContact O-N 2.85Å; A257-D259 PolarHBondContact O-N 3.19Å; A257-L260 PolarHBondContact O-N 3.09Å; A257-I261 WeakPolarHBondContact O-CB 3.4Å; A257-I261 WeakPolarHBondContact O-CD1 3.26Å; A257-I261 WeakPolarHBondContact O-CG1 3.03Å; A257-I261 PolarHBondContact O-N 3.2Å; A257-L293 HydrophobicContact CB-CB 4.14Å; A257-L293 HydrophobicContact CB-CD2 4.36Å; A257-L293 WeakPolarHBondContact CB-O 3.3Å; A257-I296 HydrophobicContact CB-CB 4.44Å; A257-I296 HydrophobicContact CB-CG2 4.22Å; A257-R297 HydrophobicContact CB-CB 4.19Å |
| 258 | E | 98.9 | Very high | 98.8 | Very high | 89 Ų | 89 | 44.5 Ų | 44.5 | 42% | 0.416 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -55.5 | -51.8 | 175.7 | -166.3 | 69.2 | -147.1 | 0 | 0 | 111.7 | S254 R255 L260 I261 L262 R297 | S254-E258 PolarHBondContact O-N 3.42Å; R255-E258 WeakPolarHBondContact O-CB 3.41Å; R255-E258 PolarHBondContact O-N 3.39Å; E258-L260 PolarHBondContact O-N 3.38Å; E258-I261 PolarHBondContact O-N 2.89Å; E258-L262 WeakPolarHBondContact O-CB 3.38Å; E258-L262 PolarHBondContact O-N 3.35Å; E258-R297 IonicContact OE1-NH1 3.88Å; E258-R297 PolarHBondContact OE1-NH1 3.24Å; E258-R297 WeakPolarHBondContact OE2-CD 3.27Å; E258-R297 IonicContact OE2-CZ 2.71Å; E258-R297 IonicContact OE2-NE 2.61Å; E258-R297 IonicContact OE2-NH1 3.22Å; E258-R297 PolarHBondContact OE2-NH1 3.39Å |
| 259 | D | 98.9 | Very high | 98.8 | Very high | 30 Ų | 30 | 43.9 Ų | 43.9 | 16% | 0.16 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -57.9 | -50.2 | 179.8 | -74 | -10.5 | 0 | 0 | 0 | 110.7 | W172 H176 R255 M256 A257 I261 L262 Y263 | W172-D259 HydrophobicContact CZ2-CB 3.59Å; W172-D259 PolarHBondContact NE1-OD2 2.79Å; H176-D259 IonicContact CE1-OD2 3.89Å; H176-D259 IonicContact NE2-OD2 2.94Å; H176-D259 PolarHBondContact NE2-OD2 3.01Å; R255-D259 PolarHBondContact O-N 3.37Å; R255-D259 VanDerWaalsContact O-N 3.08Å; M256-D259 PolarHBondContact O-N 3.09Å; A257-D259 PolarHBondContact O-N 3.19Å; D259-I261 PolarHBondContact O-N 3.41Å; D259-L262 WeakPolarHBondContact O-CB 3.2Å; D259-L262 PolarHBondContact O-N 3.26Å; D259-Y263 HydrophobicContact CB-CD2 4.43Å; D259-Y263 HydrophobicContact CB-CE2 3.89Å; D259-Y263 WeakPolarHBondContact O-CB 3.35Å; D259-Y263 WeakPolarHBondContact O-CD1 3.48Å; D259-Y263 VanDerWaalsContact O-CD2 3.3Å; D259-Y263 WeakPolarHBondContact O-CD2 3.43Å; D259-Y263 PolarHBondContact O-N 3.31Å |
| 260 | L | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -69.3 | -33.7 | -177.4 | -70.4 | 176.3 | 0 | 0 | 0 | 113.1 | W169 W172 M256 A257 E258 L262 Y263 C264 V271 L293 V349 L353 | W169-L260 HydrophobicContact CH2-CD2 4.24Å; W172-L260 HydrophobicContact CH2-CD1 4.33Å; W172-L260 HydrophobicContact CH2-CD2 3.58Å; W172-L260 HydrophobicContact CH2-CG 3.79Å; W172-L260 HydrophobicContact CZ2-CD2 4.29Å; W172-L260 HydrophobicContact CZ2-CG 4.29Å; W172-L260 HydrophobicContact CZ3-CD2 4.24Å; M256-L260 HydrophobicContact CG-CD1 4.07Å; M256-L260 WeakPolarHBondContact O-CB 3.41Å; M256-L260 WeakPolarHBondContact O-CG 3.41Å; M256-L260 PolarHBondContact O-N 3.17Å; A257-L260 PolarHBondContact O-N 3.09Å; E258-L260 PolarHBondContact O-N 3.38Å; L260-L262 VanDerWaalsContact C-N 3.32Å; L260-Y263 HydrophobicContact CD2-CD2 4.47Å; L260-Y263 PolarHBondContact O-N 3.33Å; L260-C264 PolarHBondContact O-N 3.02Å; L260-C264 PolarHBondContact O-SG 3.07Å; L260-C264 VanDerWaalsContact O-SG 3.4Å; L260-V271 HydrophobicContact CD2-CG2 4.28Å; L260-L293 HydrophobicContact CB-CD1 3.39Å; L260-L293 HydrophobicContact CB-CD2 4.24Å; L260-L293 HydrophobicContact CB-CG 4.45Å; L260-L293 HydrophobicContact CD1-CD1 4.47Å; L260-L293 HydrophobicContact CD1-CD2 4.01Å; L260-V349 HydrophobicContact CD1-CG1 4.27Å; L260-L353 HydrophobicContact CD1-CD2 4.22Å; L260-L353 HydrophobicContact CD2-CD2 3.93Å |
| 261 | I | 98.9 | Very high | 98.7 | Very high | 22 Ų | 22 | 44.1 Ų | 44.1 | 11% | 0.113 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.9 | -46.2 | 171.8 | -73.7 | 164.1 | 0 | 0 | 0 | 109.5 | A257 E258 D259 C264 T265 P290 L293 E294 | A257-I261 WeakPolarHBondContact O-CB 3.4Å; A257-I261 WeakPolarHBondContact O-CD1 3.26Å; A257-I261 WeakPolarHBondContact O-CG1 3.03Å; A257-I261 PolarHBondContact O-N 3.2Å; E258-I261 PolarHBondContact O-N 2.89Å; D259-I261 PolarHBondContact O-N 3.41Å; I261-C264 PolarHBondContact O-N 3.26Å; I261-C264 PolarHBondContact O-SG 2.91Å; I261-T265 WeakPolarHBondContact O-CG2 3.36Å; I261-P290 HydrophobicContact CB-CG 4.35Å; I261-P290 HydrophobicContact CG1-CB 3.97Å; I261-P290 HydrophobicContact CG1-CG 3.86Å; I261-P290 HydrophobicContact CG2-CG 4.14Å; I261-L293 HydrophobicContact CD1-CB 3.9Å; I261-L293 HydrophobicContact CG1-CB 3.61Å; I261-L293 HydrophobicContact CG1-CD1 4.01Å; I261-L293 HydrophobicContact CG1-CG 4.49Å; I261-E294 HydrophobicContact CD1-CG 3.9Å; I261-E294 HydrophobicContact CG1-CG 4.5Å |
| 262 | L | 98.9 | Very high | 98.7 | Very high | 39 Ų | 39 | 44 Ų | 44 | 20% | 0.204 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.2 | -43.9 | 179.1 | -162.4 | 75.5 | 0 | 0 | 0 | 111.3 | L161 E258 D259 L260 C264 T265 F268 | L161-L262 HydrophobicContact CD1-CD2 3.24Å; L161-L262 HydrophobicContact CD2-CD2 3.94Å; L161-L262 HydrophobicContact CG-CD2 3.99Å; E258-L262 WeakPolarHBondContact O-CB 3.38Å; E258-L262 PolarHBondContact O-N 3.35Å; D259-L262 WeakPolarHBondContact O-CB 3.2Å; D259-L262 PolarHBondContact O-N 3.26Å; L260-L262 VanDerWaalsContact C-N 3.32Å; L262-C264 VanDerWaalsContact C-N 3.27Å; L262-C264 PolarHBondContact O-N 2.96Å; L262-T265 WeakPolarHBondContact O-CB 3.44Å; L262-T265 WeakPolarHBondContact O-CG2 3.31Å; L262-T265 PolarHBondContact O-N 3.23Å; L262-T265 PolarHBondContact O-OG1 2.96Å; L262-F268 HydrophobicContact CD1-CE2 4.07Å; L262-F268 HydrophobicContact CD1-CZ 4.38Å; L262-F268 HydrophobicContact CD2-CE1 3.81Å; L262-F268 HydrophobicContact CD2-CE2 4Å; L262-F268 HydrophobicContact CD2-CZ 3.48Å; L262-F268 VanDerWaalsContact CD2-CZ 3.48Å; L262-F268 HydrophobicContact CG-CD2 4.14Å; L262-F268 HydrophobicContact CG-CE1 4.14Å; L262-F268 HydrophobicContact CG-CE2 3.72Å; L262-F268 HydrophobicContact CG-CZ 3.73Å; L262-F268 WeakPolarHBondContact O-CB 3.46Å; L262-F268 WeakPolarHBondContact O-CG 3.13Å |
| 263 | Y | 98.8 | Very high | 98.7 | Very high | 9 Ų | 9 | 42.7 Ų | 42.7 | 4% | 0.035 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -68.3 | -22.7 | -178.1 | -64.2 | -12.8 | 0 | 0 | 0 | 113.8 | F155 Y158 W169 W172 D259 L260 F268 F270 V271 | F155-Y263 HydrophobicContact CE2-CE2 4.07Å; F155-Y263 AromaticContact CE2-CZ 3.89Å; Y158-Y263 HydrophobicContact CE2-CE1 4.22Å; W169-Y263 HydrophobicContact CZ3-CD2 4.28Å; W169-Y263 HydrophobicContact CZ3-CE2 4.32Å; W172-Y263 HydrophobicContact CD2-CE2 4.35Å; W172-Y263 AromaticContact CE2-CE2 3.8Å; W172-Y263 HydrophobicContact CZ2-CE2 4.04Å; W172-Y263 AromaticContact NE1-CE2 3.83Å; D259-Y263 HydrophobicContact CB-CD2 4.43Å; D259-Y263 HydrophobicContact CB-CE2 3.89Å; D259-Y263 WeakPolarHBondContact O-CB 3.35Å; D259-Y263 WeakPolarHBondContact O-CD1 3.48Å; D259-Y263 VanDerWaalsContact O-CD2 3.3Å; D259-Y263 WeakPolarHBondContact O-CD2 3.43Å; D259-Y263 PolarHBondContact O-N 3.31Å; L260-Y263 HydrophobicContact CD2-CD2 4.47Å; L260-Y263 PolarHBondContact O-N 3.33Å; Y263-F268 AromaticContact CD1-CD1 3.93Å; Y263-F268 HydrophobicContact CD1-CD1 3.93Å; Y263-F268 HydrophobicContact CD1-CE1 4.37Å; Y263-F268 HydrophobicContact CE1-CD1 4.42Å; Y263-F268 HydrophobicContact CE1-CE1 4.47Å; Y263-F270 AromaticContact CD1-CD2 3.79Å; Y263-F270 HydrophobicContact CD1-CD2 3.79Å; Y263-F270 HydrophobicContact CD1-CE2 4.31Å; Y263-F270 HydrophobicContact CE1-CD2 4.33Å; Y263-F270 HydrophobicContact CG-CD2 4.06Å; Y263-F270 PolarHBondContact O-N 2.83Å; Y263-V271 PolarHBondContact O-N 3.01Å; Y263-V271 VanDerWaalsContact O-N 3.16Å |
| 264 | C | 98.4 | Very high | 98.6 | Very high | 23 Ų | 23 | 43.7 Ų | 43.7 | 16% | 0.155 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | 3.1 | 176.2 | 77.4 | 0 | 0 | 0 | 0 | 114.5 | L260 I261 L262 V271 | L260-C264 PolarHBondContact O-N 3.02Å; L260-C264 PolarHBondContact O-SG 3.07Å; L260-C264 VanDerWaalsContact O-SG 3.4Å; I261-C264 PolarHBondContact O-N 3.26Å; I261-C264 PolarHBondContact O-SG 2.91Å; L262-C264 VanDerWaalsContact C-N 3.27Å; L262-C264 PolarHBondContact O-N 2.96Å; C264-V271 VanDerWaalsContact CA-O 3.32Å; C264-V271 WeakPolarHBondContact CA-O 3.38Å; C264-V271 HydrophobicContact CB-CG2 3.84Å; C264-V271 WeakPolarHBondContact CB-O 3.41Å |
| 265 | T | 98.6 | Very high | 98.5 | Very high | 41 Ų | 41 | 48.2 Ų | 48.2 | 25% | 0.252 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -65.3 | 165.6 | 169.6 | 62.8 | 0 | 0 | 0 | 0 | 111.6 | I261 L262 E267 F268 S269 | I261-T265 WeakPolarHBondContact O-CG2 3.36Å; L262-T265 WeakPolarHBondContact O-CB 3.44Å; L262-T265 WeakPolarHBondContact O-CG2 3.31Å; L262-T265 PolarHBondContact O-N 3.23Å; L262-T265 PolarHBondContact O-OG1 2.96Å; T265-E267 VanDerWaalsContact C-N 3.33Å; T265-E267 WeakPolarHBondContact CB-OE2 3.4Å; T265-F268 WeakPolarHBondContact OG1-CD2 3.49Å; T265-F268 PolarHBondContact OG1-N 3.02Å; T265-S269 VanDerWaalsContact O-CA 3.32Å; T265-S269 WeakPolarHBondContact O-CA 3.29Å; T265-S269 PolarHBondContact O-N 3.43Å; T265-S269 PolarHBondContact O-OG 2.96Å |
| 266 | K | 97.8 | Very high | 98.4 | Very high | 128 Ų | 128 | 44.4 Ų | 44.4 | 56% | 0.557 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72 | -33.3 | 175.1 | -73.8 | -74.5 | 176.3 | -83.5 | 0 | 111.3 | F268 S269 Q286 | K266-F268 VanDerWaalsContact C-N 3.3Å; K266-F268 PolarHBondContact O-N 2.93Å; K266-S269 WeakPolarHBondContact CA-OG 3.39Å; K266-S269 PolarHBondContact O-OG 3.43Å; K266-Q286 PolarHBondContact NZ-O 3.48Å |
| 267 | E | 98.5 | Very high | 98.4 | Very high | 158 Ų | 158 | 47.7 Ų | 47.7 | 74% | 0.738 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -35.3 | 179.1 | -66.7 | 74.6 | -169.5 | 0 | 0 | 112.4 | T265 | T265-E267 VanDerWaalsContact C-N 3.33Å; T265-E267 WeakPolarHBondContact CB-OE2 3.4Å |
| 268 | F | 98.5 | Very high | 98.2 | Very high | 45 Ų | 45 | 48.4 Ų | 48.4 | 20% | 0.197 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | -54.1 | 175.7 | -74.1 | -113.9 | 0 | 0 | 0 | 111.5 | Y158 L262 Y263 T265 K266 F270 | Y158-F268 AromaticContact CE1-CE1 3.97Å; Y158-F268 HydrophobicContact CE1-CE1 3.97Å; Y158-F268 HydrophobicContact CE2-CE1 4.46Å; Y158-F268 AromaticContact CZ-CE1 3.69Å; Y158-F268 VanDerWaalsContact OH-CE1 3.29Å; Y158-F268 WeakPolarHBondContact OH-CE1 3.43Å; L262-F268 HydrophobicContact CD1-CE2 4.07Å; L262-F268 HydrophobicContact CD1-CZ 4.38Å; L262-F268 HydrophobicContact CD2-CE1 3.81Å; L262-F268 HydrophobicContact CD2-CE2 4Å; L262-F268 HydrophobicContact CD2-CZ 3.48Å; L262-F268 VanDerWaalsContact CD2-CZ 3.48Å; L262-F268 HydrophobicContact CG-CD2 4.14Å; L262-F268 HydrophobicContact CG-CE1 4.14Å; L262-F268 HydrophobicContact CG-CE2 3.72Å; L262-F268 HydrophobicContact CG-CZ 3.73Å; L262-F268 WeakPolarHBondContact O-CB 3.46Å; L262-F268 WeakPolarHBondContact O-CG 3.13Å; Y263-F268 AromaticContact CD1-CD1 3.93Å; Y263-F268 HydrophobicContact CD1-CD1 3.93Å; Y263-F268 HydrophobicContact CD1-CE1 4.37Å; Y263-F268 HydrophobicContact CE1-CD1 4.42Å; Y263-F268 HydrophobicContact CE1-CE1 4.47Å; T265-F268 WeakPolarHBondContact OG1-CD2 3.49Å; T265-F268 PolarHBondContact OG1-N 3.02Å; K266-F268 VanDerWaalsContact C-N 3.3Å; K266-F268 PolarHBondContact O-N 2.93Å; F268-F270 HydrophobicContact CB-CD1 4.47Å; F268-F270 HydrophobicContact CB-CD2 4.27Å; F268-F270 HydrophobicContact CB-CE2 4.38Å; F268-F270 HydrophobicContact CB-CG 4.32Å; F268-F270 HydrophobicContact CB-CZ 4.49Å; F268-F270 AromaticContact CD1-CD2 3.95Å; F268-F270 HydrophobicContact CD1-CD2 3.95Å; F268-F270 AromaticContact CD1-CE2 3.5Å; F268-F270 HydrophobicContact CD1-CE2 3.5Å; F268-F270 VanDerWaalsContact CD1-CE2 3.5Å; F268-F270 AromaticContact CD1-CZ 3.94Å; F268-F270 HydrophobicContact CD1-CZ 3.94Å; F268-F270 HydrophobicContact CE1-CE2 4.29Å; F268-F270 HydrophobicContact CG-CE2 4.4Å; F268-F270 WeakPolarHBondContact O-CD1 3.08Å; F268-F270 VanDerWaalsContact O-CE1 3.31Å; F268-F270 WeakPolarHBondContact O-CE1 3.46Å; F268-F270 PolarHBondContact O-N 3.36Å |
| 269 | S | 98.5 | Very high | 97.9 | Very high | 32 Ų | 32 | 47 Ų | 47 | 22% | 0.224 | 25% | 0.253 | C | S | . | . | trans | 51.5 | 36.5 | -177.5 | -62.6 | 0 | 0 | 0 | 0 | 114 | T265 K266 H356 N359 | T265-S269 VanDerWaalsContact O-CA 3.32Å; T265-S269 WeakPolarHBondContact O-CA 3.29Å; T265-S269 PolarHBondContact O-N 3.43Å; T265-S269 PolarHBondContact O-OG 2.96Å; K266-S269 WeakPolarHBondContact CA-OG 3.39Å; K266-S269 PolarHBondContact O-OG 3.43Å; S269-H356 WeakPolarHBondContact O-CB 3.39Å; S269-H356 PolarHBondContact O-CD2 3.27Å; S269-H356 VanDerWaalsContact O-CD2 3.25Å; S269-N359 VanDerWaalsContact O-CB 3.32Å; S269-N359 WeakPolarHBondContact O-CB 3.37Å; S269-N359 PolarHBondContact O-ND2 3.47Å | ||
| 270 | F | 98.9 | Very high | 97.4 | Very high | 2 Ų | 2 | 48.3 Ų | 48.3 | 1% | 0.009 | 27% | 0.273 | C | S | . | . | trans | -83.2 | -36.7 | 178.8 | -63.6 | -17.6 | 0 | 0 | 0 | 112.2 | F155 P156 Y158 Y263 F268 I355 H356 M360 A363 | F155-F270 HydrophobicContact CD2-CD2 4.2Å; F155-F270 HydrophobicContact CD2-CE2 4.25Å; P156-F270 HydrophobicContact CG-CE2 4.03Å; P156-F270 HydrophobicContact CG-CZ 3.8Å; Y158-F270 HydrophobicContact CE2-CE2 4.21Å; Y158-F270 WeakPolarHBondContact OH-CE2 3.3Å; Y158-F270 WeakPolarHBondContact OH-CZ 3.1Å; Y263-F270 AromaticContact CD1-CD2 3.79Å; Y263-F270 HydrophobicContact CD1-CD2 3.79Å; Y263-F270 HydrophobicContact CD1-CE2 4.31Å; Y263-F270 HydrophobicContact CE1-CD2 4.33Å; Y263-F270 HydrophobicContact CG-CD2 4.06Å; Y263-F270 PolarHBondContact O-N 2.83Å; F268-F270 HydrophobicContact CB-CD1 4.47Å; F268-F270 HydrophobicContact CB-CD2 4.27Å; F268-F270 HydrophobicContact CB-CE2 4.38Å; F268-F270 HydrophobicContact CB-CG 4.32Å; F268-F270 HydrophobicContact CB-CZ 4.49Å; F268-F270 AromaticContact CD1-CD2 3.95Å; F268-F270 HydrophobicContact CD1-CD2 3.95Å; F268-F270 AromaticContact CD1-CE2 3.5Å; F268-F270 HydrophobicContact CD1-CE2 3.5Å; F268-F270 VanDerWaalsContact CD1-CE2 3.5Å; F268-F270 AromaticContact CD1-CZ 3.94Å; F268-F270 HydrophobicContact CD1-CZ 3.94Å; F268-F270 HydrophobicContact CE1-CE2 4.29Å; F268-F270 HydrophobicContact CG-CE2 4.4Å; F268-F270 WeakPolarHBondContact O-CD1 3.08Å; F268-F270 VanDerWaalsContact O-CE1 3.31Å; F268-F270 WeakPolarHBondContact O-CE1 3.46Å; F268-F270 PolarHBondContact O-N 3.36Å; F270-I355 WeakPolarHBondContact O-CA 3.44Å; F270-H356 PolarHBondContact O-N 2.73Å; F270-M360 HydrophobicContact CB-CE 3.82Å; F270-M360 HydrophobicContact CB-CG 3.88Å; F270-M360 HydrophobicContact CD1-CG 3.98Å; F270-M360 HydrophobicContact CG-CG 3.97Å; F270-A363 HydrophobicContact CE1-CB 3.54Å; F270-A363 HydrophobicContact CZ-CB 3.59Å | ||
| 271 | V | 98.7 | Very high | 96.8 | Very high | 4 Ų | 4 | 50 Ų | 50 | 2% | 0.024 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 153.7 | -178.2 | -52.4 | 0 | 0 | 0 | 0 | 111 | W169 L260 Y263 C264 L353 Q354 I355 M360 | W169-V271 HydrophobicContact CH2-CG1 4.07Å; W169-V271 HydrophobicContact CZ3-CG1 4.49Å; L260-V271 HydrophobicContact CD2-CG2 4.28Å; Y263-V271 PolarHBondContact O-N 3.01Å; Y263-V271 VanDerWaalsContact O-N 3.16Å; C264-V271 VanDerWaalsContact CA-O 3.32Å; C264-V271 WeakPolarHBondContact CA-O 3.38Å; C264-V271 HydrophobicContact CB-CG2 3.84Å; C264-V271 WeakPolarHBondContact CB-O 3.41Å; V271-L353 HydrophobicContact CB-CD1 4.47Å; V271-L353 HydrophobicContact CG1-CD1 4.35Å; V271-Q354 CarbonylContact C-O 3.4Å; V271-Q354 VanDerWaalsContact CA-O 3.26Å; V271-Q354 WeakPolarHBondContact CA-O 3.16Å; V271-I355 HydrophobicContact CG1-CG2 4.23Å; V271-M360 HydrophobicContact CG1-CE 4.04Å |
| 272 | Q | 98.4 | Very high | 96.3 | Very high | 74 Ų | 74 | 54.9 Ų | 54.9 | 35% | 0.346 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 124.6 | 172.4 | 179.2 | 172.6 | -41.9 | 0 | 0 | 109.3 | K288 Q354 H356 | Q272-K288 HydrophobicContact CG-CD 4.07Å; Q272-Q354 PolarHBondContact N-O 3.12Å; Q272-Q354 PolarHBondContact O-N 3.49Å; Q272-H356 WeakPolarHBondContact CB-NE2 3.23Å |
| 273 | L | 98 | Very high | 95.7 | Very high | 5 Ų | 5 | 60.4 Ų | 60.4 | 3% | 0.026 | 35% | 0.35 | C | S | . | . | trans | -71.4 | 147.3 | 176.1 | -59.5 | -178.9 | 0 | 0 | 0 | 111.1 | K288 P290 L293 V349 L353 | L273-K288 WeakPolarHBondContact O-CD 3.16Å; L273-K288 PolarHBondContact O-NZ 3.44Å; L273-P290 HydrophobicContact CD1-CB 3.83Å; L273-L293 HydrophobicContact CD1-CD1 3.98Å; L273-L293 HydrophobicContact CD1-CG 4.35Å; L273-L293 HydrophobicContact CD2-CD1 4.28Å; L273-V349 HydrophobicContact CD2-CG1 3.88Å; L273-L353 HydrophobicContact CD2-CB 4.21Å | ||
| 274 | S | 97.5 | Very high | 95.3 | Very high | 23 Ų | 23 | 63.7 Ų | 63.7 | 16% | 0.161 | 37% | 0.366 | C | S | . | . | trans | -66 | 151.4 | 168.6 | 67.1 | 0 | 0 | 0 | 0 | 110.7 | A276 Y277 S278 T352 | S274-A276 PolarHBondContact O-N 3.04Å; S274-A276 VanDerWaalsContact O-N 3.08Å; S274-Y277 PolarHBondContact O-N 2.69Å; S274-Y277 WeakPolarHBondContact OG-CD2 3.43Å; S274-S278 PolarHBondContact O-N 3.27Å; S274-S278 PolarHBondContact O-OG 3.49Å; S274-T352 WeakPolarHBondContact CB-OG1 3.49Å; S274-T352 PolarHBondContact OG-OG1 3.43Å | ||
| 275 | D | 96.1 | Very high | 94.7 | Very high | 122 Ų | 122 | 68.4 Ų | 68.4 | 65% | 0.652 | 40% | 0.396 | S | S | * | . | G | 310 helix | trans | -55.9 | -32 | -179.7 | -62.9 | -15 | 0 | 0 | 0 | 112.9 | Y277 S278 K288 | D275-Y277 PolarHBondContact O-N 2.92Å; D275-Y277 VanDerWaalsContact O-N 3.15Å; D275-S278 PolarHBondContact O-N 2.83Å; D275-K288 WeakPolarHBondContact OD1-CE 3.23Å; D275-K288 IonicContact OD1-NZ 3.68Å; D275-K288 PolarHBondContact OD1-NZ 3.43Å |
| 276 | A | 97.5 | Very high | 94.1 | Very high | 85 Ų | 85 | 71.9 Ų | 71.9 | 70% | 0.702 | 41% | 0.41 | S | S | * | . | G | 310 helix | trans | -60.9 | -22.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | S274 | S274-A276 PolarHBondContact O-N 3.04Å; S274-A276 VanDerWaalsContact O-N 3.08Å |
| 277 | Y | 97.8 | Very high | 93.9 | Very high | 71 Ų | 71 | 70.4 Ų | 70.4 | 28% | 0.278 | 40% | 0.404 | S | S | . | . | G | 310 helix | trans | -125.4 | 16 | -175.8 | -60 | -66.1 | 0 | 0 | 0 | 113 | S274 D275 S292 V345 G348 V349 T352 | S274-Y277 PolarHBondContact O-N 2.69Å; S274-Y277 WeakPolarHBondContact OG-CD2 3.43Å; D275-Y277 PolarHBondContact O-N 2.92Å; D275-Y277 VanDerWaalsContact O-N 3.15Å; Y277-S292 VanDerWaalsContact O-CB 3.31Å; Y277-S292 WeakPolarHBondContact O-CB 3.28Å; Y277-S292 PolarHBondContact O-OG 2.69Å; Y277-V345 HydrophobicContact CD1-CG1 4.33Å; Y277-G348 WeakPolarHBondContact CE2-O 3.38Å; Y277-G348 VanDerWaalsContact CZ-CA 3.49Å; Y277-G348 WeakPolarHBondContact OH-CA 3.32Å; Y277-V349 HydrophobicContact CD1-CG2 4.16Å; Y277-V349 HydrophobicContact CD2-CG2 4.32Å; Y277-V349 HydrophobicContact CG-CG2 3.82Å; Y277-T352 WeakPolarHBondContact CD2-OG1 3.34Å; Y277-T352 HydrophobicContact CE2-CG2 4.33Å |
| 278 | S | 95.6 | Very high | 93.7 | Very high | 15 Ų | 15 | 65.7 Ų | 65.7 | 11% | 0.105 | 38% | 0.38 | C | S | . | . | trans | -136.2 | 150.2 | 175.2 | 63.7 | 0 | 0 | 0 | 0 | 110.4 | S274 D275 N289 | S274-S278 PolarHBondContact O-N 3.27Å; S274-S278 PolarHBondContact O-OG 3.49Å; D275-S278 PolarHBondContact O-N 2.83Å; S278-N289 VanDerWaalsContact CA-O 3.3Å; S278-N289 WeakPolarHBondContact CA-O 3.26Å; S278-N289 WeakPolarHBondContact CB-O 3.21Å | ||
| 279 | T | 93.4 | Very high | 93.6 | Very high | 60 Ų | 60 | 65.5 Ų | 65.5 | 37% | 0.368 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 156.6 | 166.7 | 64.3 | 0 | 0 | 0 | 0 | 110.5 | K288 N289 D291 | T279-K288 CarbonylContact O-C 3.49Å; T279-K288 WeakPolarHBondContact O-CA 3.47Å; T279-N289 PolarHBondContact N-O 2.81Å; T279-N289 PolarHBondContact O-N 2.97Å; T279-N289 PolarHBondContact OG1-ND2 3.13Å; T279-D291 WeakPolarHBondContact CB-OD2 3.15Å; T279-D291 HydrophobicContact CG2-CB 4.36Å; T279-D291 WeakPolarHBondContact CG2-OD2 3.2Å; T279-D291 PolarHBondContact OG1-OD1 2.88Å; T279-D291 VanDerWaalsContact OG1-OD1 3.13Å; T279-D291 PolarHBondContact OG1-OD2 2.73Å |
| 280 | G | 87.9 | Confident | 93.6 | Very high | 56 Ų | 56 | 64.7 Ų | 64.7 | 58% | 0.577 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 168.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | K287 | G280-K287 WeakPolarHBondContact CA-O 3.44Å |
| 281 | S | 86.2 | Confident | 93.6 | Very high | 35 Ų | 35 | 67.1 Ų | 67.1 | 25% | 0.245 | 39% | 0.389 | C | S | . | . | trans | -92.1 | 135.5 | 163.3 | 176.8 | 0 | 0 | 0 | 0 | 110 | L283 M284 K287 | S281-L283 PolarHBondContact O-N 2.94Å; S281-L283 PolarHBondContact OG-N 3.14Å; S281-M284 PolarHBondContact O-N 3.37Å; S281-M284 WeakPolarHBondContact OG-CE 3.4Å; S281-M284 PolarHBondContact OG-N 3.27Å; S281-K287 PolarHBondContact N-O 2.92Å | ||
| 282 | S | 87.4 | Confident | 93.6 | Very high | 126 Ų | 126 | 67.4 Ų | 67.4 | 88% | 0.881 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -63.3 | -22.1 | 173.8 | 54.7 | 0 | 0 | 0 | 0 | 113.7 | ||
| 283 | L | 86 | Confident | 93.6 | Very high | 154 Ų | 154 | 63.9 Ų | 63.9 | 81% | 0.806 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -102.8 | -26 | -179.5 | -64.5 | 175.1 | 0 | 0 | 0 | 113.3 | S281 P285 | S281-L283 PolarHBondContact O-N 2.94Å; S281-L283 PolarHBondContact OG-N 3.14Å; L283-P285 WeakPolarHBondContact O-CD 3.22Å |
| 284 | M | 90.9 | Very high | 93.7 | Very high | 79 Ų | 79 | 67.9 Ų | 67.9 | 39% | 0.389 | 39% | 0.393 | S | S | . | . | trans | -118.8 | 87.6 | -174.4 | -61.7 | 175.7 | -75 | 0 | 0 | 110.1 | S281 Q286 K287 | S281-M284 PolarHBondContact O-N 3.37Å; S281-M284 WeakPolarHBondContact OG-CE 3.4Å; S281-M284 PolarHBondContact OG-N 3.27Å; M284-Q286 VanDerWaalsContact C-OE1 3.29Å; M284-Q286 PolarHBondContact O-N 3.48Å; M284-Q286 VanDerWaalsContact O-N 3.11Å; M284-K287 HydrophobicContact CB-CB 3.97Å; M284-K287 HydrophobicContact CE-CD 3.72Å; M284-K287 WeakPolarHBondContact O-CB 3.21Å; M284-K287 PolarHBondContact O-N 3.28Å | ||
| 285 | P | 87 | Confident | 93.7 | Very high | 121 Ų | 121 | 71.5 Ų | 71.5 | 79% | 0.786 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -22.5 | -174 | 24.9 | -34.7 | 0 | 0 | 0 | 113.6 | L283 K287 | L283-P285 WeakPolarHBondContact O-CD 3.22Å; P285-K287 VanDerWaalsContact C-N 3.34Å |
| 286 | Q | 86.2 | Confident | 93.9 | Very high | 114 Ų | 114 | 65.9 Ų | 65.9 | 53% | 0.533 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -10 | 176.9 | 77.7 | -76.8 | 15.4 | 0 | 0 | 114.3 | K266 M284 | K266-Q286 PolarHBondContact NZ-O 3.48Å; M284-Q286 VanDerWaalsContact C-OE1 3.29Å; M284-Q286 PolarHBondContact O-N 3.48Å; M284-Q286 VanDerWaalsContact O-N 3.11Å |
| 287 | K | 93.2 | Very high | 93.9 | Very high | 98 Ų | 98 | 65.7 Ų | 65.7 | 43% | 0.426 | 36% | 0.361 | S | S | . | . | trans | -93.2 | 108.8 | -176.5 | -171.6 | -175.9 | -178.5 | -168 | 0 | 109.7 | G280 S281 M284 P285 N289 | G280-K287 WeakPolarHBondContact CA-O 3.44Å; S281-K287 PolarHBondContact N-O 2.92Å; M284-K287 HydrophobicContact CB-CB 3.97Å; M284-K287 HydrophobicContact CE-CD 3.72Å; M284-K287 WeakPolarHBondContact O-CB 3.21Å; M284-K287 PolarHBondContact O-N 3.28Å; P285-K287 VanDerWaalsContact C-N 3.34Å; K287-N289 VanDerWaalsContact CE-OD1 3.22Å; K287-N289 WeakPolarHBondContact CE-OD1 3.29Å | ||
| 288 | K | 93.7 | Very high | 94 | Very high | 58 Ų | 58 | 65.5 Ų | 65.5 | 25% | 0.252 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 121.7 | 169.4 | -64 | -163.8 | -176.8 | -161.3 | 0 | 109.7 | Q272 L273 D275 T279 | Q272-K288 HydrophobicContact CG-CD 4.07Å; L273-K288 WeakPolarHBondContact O-CD 3.16Å; L273-K288 PolarHBondContact O-NZ 3.44Å; D275-K288 WeakPolarHBondContact OD1-CE 3.23Å; D275-K288 IonicContact OD1-NZ 3.68Å; D275-K288 PolarHBondContact OD1-NZ 3.43Å; T279-K288 CarbonylContact O-C 3.49Å; T279-K288 WeakPolarHBondContact O-CA 3.47Å |
| 289 | N | 97.6 | Very high | 94.1 | Very high | 41 Ų | 41 | 67.6 Ų | 67.6 | 22% | 0.219 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 136 | 176.5 | -48 | -45.3 | 0 | 0 | 0 | 109.3 | S278 T279 K287 D291 | S278-N289 VanDerWaalsContact CA-O 3.3Å; S278-N289 WeakPolarHBondContact CA-O 3.26Å; S278-N289 WeakPolarHBondContact CB-O 3.21Å; T279-N289 PolarHBondContact N-O 2.81Å; T279-N289 PolarHBondContact O-N 2.97Å; T279-N289 PolarHBondContact OG1-ND2 3.13Å; K287-N289 VanDerWaalsContact CE-OD1 3.22Å; K287-N289 WeakPolarHBondContact CE-OD1 3.29Å; N289-D291 WeakPolarHBondContact CB-OD1 3.44Å; N289-D291 PolarHBondContact O-N 3.3Å |
| 290 | P | 98.3 | Very high | 94.4 | Very high | 15 Ų | 15 | 65.6 Ų | 65.6 | 10% | 0.097 | 37% | 0.366 | C | S | . | . | trans | -82.9 | 46.7 | -179.1 | 34.7 | -35.6 | 0 | 0 | 0 | 113.3 | I261 L273 S292 L293 E294 | I261-P290 HydrophobicContact CB-CG 4.35Å; I261-P290 HydrophobicContact CG1-CB 3.97Å; I261-P290 HydrophobicContact CG1-CG 3.86Å; I261-P290 HydrophobicContact CG2-CG 4.14Å; L273-P290 HydrophobicContact CD1-CB 3.83Å; P290-S292 PolarHBondContact O-N 2.69Å; P290-S292 VanDerWaalsContact O-N 3.11Å; P290-L293 HydrophobicContact CB-CB 4.24Å; P290-L293 HydrophobicContact CB-CD1 3.98Å; P290-L293 HydrophobicContact CB-CG 4.44Å; P290-L293 WeakPolarHBondContact O-CA 3.5Å; P290-L293 WeakPolarHBondContact O-CB 3.47Å; P290-L293 PolarHBondContact O-N 3.12Å; P290-E294 HydrophobicContact CG-CG 4.37Å; P290-E294 PolarHBondContact O-N 3.29Å | ||
| 291 | D | 98.1 | Very high | 94.9 | Very high | 53 Ų | 53 | 65.4 Ų | 65.4 | 28% | 0.283 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -53.5 | -38.7 | -173.3 | -66.3 | 17.9 | 0 | 0 | 0 | 112.9 | T279 N289 L293 E294 L295 | T279-D291 WeakPolarHBondContact CB-OD2 3.15Å; T279-D291 HydrophobicContact CG2-CB 4.36Å; T279-D291 WeakPolarHBondContact CG2-OD2 3.2Å; T279-D291 PolarHBondContact OG1-OD1 2.88Å; T279-D291 VanDerWaalsContact OG1-OD1 3.13Å; T279-D291 PolarHBondContact OG1-OD2 2.73Å; N289-D291 WeakPolarHBondContact CB-OD1 3.44Å; N289-D291 PolarHBondContact O-N 3.3Å; D291-L293 VanDerWaalsContact C-N 3.34Å; D291-L293 PolarHBondContact O-N 2.7Å; D291-E294 PolarHBondContact O-N 2.98Å; D291-L295 VanDerWaalsContact O-CB 3.28Å; D291-L295 WeakPolarHBondContact O-CB 3.41Å; D291-L295 WeakPolarHBondContact O-CG 3.29Å; D291-L295 PolarHBondContact O-N 3.28Å |
| 292 | S | 98.6 | Very high | 95.5 | Very high | 11 Ų | 11 | 70.4 Ų | 70.4 | 8% | 0.077 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -58.7 | -45 | 176 | 56.1 | 0 | 0 | 0 | 0 | 112.1 | Y277 P290 L295 I296 V349 | Y277-S292 VanDerWaalsContact O-CB 3.31Å; Y277-S292 WeakPolarHBondContact O-CB 3.28Å; Y277-S292 PolarHBondContact O-OG 2.69Å; P290-S292 PolarHBondContact O-N 2.69Å; P290-S292 VanDerWaalsContact O-N 3.11Å; S292-L295 PolarHBondContact O-N 3.44Å; S292-I296 VanDerWaalsContact O-CG1 3.27Å; S292-I296 WeakPolarHBondContact O-CG1 3.38Å; S292-I296 PolarHBondContact O-N 3.03Å; S292-V349 WeakPolarHBondContact OG-CG2 3.36Å |
| 293 | L | 98.8 | Very high | 96 | Very high | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -71.6 | -40.6 | 178.9 | -61.5 | 174.9 | 0 | 0 | 0 | 111.5 | A257 L260 I261 L273 P290 D291 L295 I296 R297 V349 | A257-L293 HydrophobicContact CB-CB 4.14Å; A257-L293 HydrophobicContact CB-CD2 4.36Å; A257-L293 WeakPolarHBondContact CB-O 3.3Å; L260-L293 HydrophobicContact CB-CD1 3.39Å; L260-L293 HydrophobicContact CB-CD2 4.24Å; L260-L293 HydrophobicContact CB-CG 4.45Å; L260-L293 HydrophobicContact CD1-CD1 4.47Å; L260-L293 HydrophobicContact CD1-CD2 4.01Å; I261-L293 HydrophobicContact CD1-CB 3.9Å; I261-L293 HydrophobicContact CG1-CB 3.61Å; I261-L293 HydrophobicContact CG1-CD1 4.01Å; I261-L293 HydrophobicContact CG1-CG 4.49Å; L273-L293 HydrophobicContact CD1-CD1 3.98Å; L273-L293 HydrophobicContact CD1-CG 4.35Å; L273-L293 HydrophobicContact CD2-CD1 4.28Å; P290-L293 HydrophobicContact CB-CB 4.24Å; P290-L293 HydrophobicContact CB-CD1 3.98Å; P290-L293 HydrophobicContact CB-CG 4.44Å; P290-L293 WeakPolarHBondContact O-CA 3.5Å; P290-L293 WeakPolarHBondContact O-CB 3.47Å; P290-L293 PolarHBondContact O-N 3.12Å; D291-L293 VanDerWaalsContact C-N 3.34Å; D291-L293 PolarHBondContact O-N 2.7Å; L293-L295 VanDerWaalsContact C-N 3.31Å; L293-L295 PolarHBondContact O-N 3.13Å; L293-I296 HydrophobicContact CD2-CD1 4.48Å; L293-I296 PolarHBondContact O-N 3.36Å; L293-R297 WeakPolarHBondContact O-CB 3.12Å; L293-R297 PolarHBondContact O-N 3.5Å; L293-V349 HydrophobicContact CD2-CG1 3.8Å; L293-V349 HydrophobicContact CG-CG1 4.48Å |
| 294 | E | 98.8 | Very high | 96.7 | Very high | 88 Ų | 88 | 63.3 Ų | 63.3 | 41% | 0.411 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62.4 | -40.6 | 175.1 | -67.4 | -174.9 | 166 | 0 | 0 | 111.4 | I261 P290 D291 R297 S298 | I261-E294 HydrophobicContact CD1-CG 3.9Å; I261-E294 HydrophobicContact CG1-CG 4.5Å; P290-E294 HydrophobicContact CG-CG 4.37Å; P290-E294 PolarHBondContact O-N 3.29Å; D291-E294 PolarHBondContact O-N 2.98Å; E294-R297 PolarHBondContact O-N 3.18Å; E294-S298 WeakPolarHBondContact O-CB 3.41Å; E294-S298 PolarHBondContact O-N 3.2Å |
| 295 | L | 98.8 | Very high | 97 | Very high | 100 Ų | 100 | 61.4 Ų | 61.4 | 52% | 0.524 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62.5 | -47.4 | 173.7 | -74.9 | 171.3 | 0 | 0 | 0 | 110.9 | D291 S292 L293 R297 S298 K299 | D291-L295 VanDerWaalsContact O-CB 3.28Å; D291-L295 WeakPolarHBondContact O-CB 3.41Å; D291-L295 WeakPolarHBondContact O-CG 3.29Å; D291-L295 PolarHBondContact O-N 3.28Å; S292-L295 PolarHBondContact O-N 3.44Å; L293-L295 VanDerWaalsContact C-N 3.31Å; L293-L295 PolarHBondContact O-N 3.13Å; L295-R297 VanDerWaalsContact C-N 3.34Å; L295-R297 PolarHBondContact O-N 3.05Å; L295-S298 PolarHBondContact O-N 3.02Å; L295-S298 PolarHBondContact O-OG 3.17Å; L295-K299 VanDerWaalsContact O-CG 3.3Å; L295-K299 WeakPolarHBondContact O-CG 3.46Å; L295-K299 PolarHBondContact O-N 3.28Å; L295-K299 VanDerWaalsContact O-N 3.12Å |
| 296 | I | 98.9 | Very high | 97.6 | Very high | 3 Ų | 3 | 58.8 Ų | 58.8 | 2% | 0.015 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -54.6 | -50.5 | 174.2 | -69.6 | 167.3 | 0 | 0 | 0 | 110.4 | M250 L253 A257 S292 L293 S298 K299 V342 V345 A346 | M250-I296 HydrophobicContact CE-CG2 4.44Å; M250-I296 WeakPolarHBondContact CE-O 3.29Å; L253-I296 HydrophobicContact CB-CG2 3.89Å; A257-I296 HydrophobicContact CB-CB 4.44Å; A257-I296 HydrophobicContact CB-CG2 4.22Å; S292-I296 VanDerWaalsContact O-CG1 3.27Å; S292-I296 WeakPolarHBondContact O-CG1 3.38Å; S292-I296 PolarHBondContact O-N 3.03Å; L293-I296 HydrophobicContact CD2-CD1 4.48Å; L293-I296 PolarHBondContact O-N 3.36Å; I296-S298 PolarHBondContact O-N 3.18Å; I296-K299 PolarHBondContact O-N 3Å; I296-V342 HydrophobicContact CG1-CG1 4.13Å; I296-V342 HydrophobicContact CG2-CG1 4.08Å; I296-V345 HydrophobicContact CD1-CG1 4.14Å; I296-A346 HydrophobicContact CD1-CB 4.03Å |
| 297 | R | 98.9 | Very high | 98.2 | Very high | 82 Ų | 82 | 53.7 Ų | 53.7 | 31% | 0.309 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -59 | -43.5 | 178.8 | -175.1 | 170.6 | 62.5 | -176.9 | -3.1 | 112.1 | A257 E258 L293 E294 L295 K299 A300 | A257-R297 HydrophobicContact CB-CB 4.19Å; E258-R297 IonicContact OE1-NH1 3.88Å; E258-R297 PolarHBondContact OE1-NH1 3.24Å; E258-R297 WeakPolarHBondContact OE2-CD 3.27Å; E258-R297 IonicContact OE2-CZ 2.71Å; E258-R297 IonicContact OE2-NE 2.61Å; E258-R297 IonicContact OE2-NH1 3.22Å; E258-R297 PolarHBondContact OE2-NH1 3.39Å; L293-R297 WeakPolarHBondContact O-CB 3.12Å; L293-R297 PolarHBondContact O-N 3.5Å; E294-R297 PolarHBondContact O-N 3.18Å; L295-R297 VanDerWaalsContact C-N 3.34Å; L295-R297 PolarHBondContact O-N 3.05Å; R297-K299 VanDerWaalsContact C-N 3.31Å; R297-K299 PolarHBondContact O-N 3.25Å; R297-A300 WeakPolarHBondContact O-CB 3.3Å; R297-A300 PolarHBondContact O-N 3.34Å |
| 298 | S | 98.8 | Very high | 98.5 | Very high | 66 Ų | 66 | 51 Ų | 51 | 46% | 0.462 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -64.2 | -32.8 | 179.9 | 75.5 | 0 | 0 | 0 | 0 | 113.5 | E294 L295 I296 A300 G301 | E294-S298 WeakPolarHBondContact O-CB 3.41Å; E294-S298 PolarHBondContact O-N 3.2Å; L295-S298 PolarHBondContact O-N 3.02Å; L295-S298 PolarHBondContact O-OG 3.17Å; I296-S298 PolarHBondContact O-N 3.18Å; S298-A300 PolarHBondContact O-N 2.66Å; S298-G301 PolarHBondContact O-N 3.43Å |
| 299 | K | 98.9 | Very high | 98.7 | Very high | 60 Ų | 60 | 50 Ų | 50 | 26% | 0.261 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -71 | -19.1 | -177.3 | -67.8 | -64.1 | 175.9 | -68.7 | 0 | 112.6 | M250 L295 I296 R297 G301 R302 V303 T338 V342 | M250-K299 HydrophobicContact CE-CB 3.66Å; L295-K299 VanDerWaalsContact O-CG 3.3Å; L295-K299 WeakPolarHBondContact O-CG 3.46Å; L295-K299 PolarHBondContact O-N 3.28Å; L295-K299 VanDerWaalsContact O-N 3.12Å; I296-K299 PolarHBondContact O-N 3Å; R297-K299 VanDerWaalsContact C-N 3.31Å; R297-K299 PolarHBondContact O-N 3.25Å; K299-G301 VanDerWaalsContact C-N 3.32Å; K299-G301 PolarHBondContact O-N 3.42Å; K299-R302 WeakPolarHBondContact O-CB 3.33Å; K299-R302 PolarHBondContact O-N 2.82Å; K299-V303 WeakPolarHBondContact O-CG2 3.43Å; K299-V303 PolarHBondContact O-N 2.98Å; K299-T338 HydrophobicContact CB-CG2 3.8Å; K299-T338 HydrophobicContact CD-CG2 3.91Å; K299-T338 HydrophobicContact CG-CG2 3.98Å; K299-V342 HydrophobicContact CB-CG2 4.16Å; K299-V342 HydrophobicContact CG-CG2 4.13Å |
| 300 | A | 98.9 | Very high | 98.8 | Very high | 17 Ų | 17 | 48.5 Ų | 48.5 | 14% | 0.14 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.5 | -43.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | M250 R297 S298 R302 F304 | M250-A300 HydrophobicContact CB-CB 3.94Å; M250-A300 HydrophobicContact CE-CB 4.31Å; R297-A300 WeakPolarHBondContact O-CB 3.3Å; R297-A300 PolarHBondContact O-N 3.34Å; S298-A300 PolarHBondContact O-N 2.66Å; A300-R302 PolarHBondContact O-N 3.5Å; A300-F304 WeakPolarHBondContact O-CB 3.45Å; A300-F304 PolarHBondContact O-N 3.23Å |
| 301 | G | 98.8 | Very high | 98.8 | Very high | 52 Ų | 52 | 52.3 Ų | 52.3 | 54% | 0.536 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -65.6 | -37.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | S298 K299 G305 | S298-G301 PolarHBondContact O-N 3.43Å; K299-G301 VanDerWaalsContact C-N 3.32Å; K299-G301 PolarHBondContact O-N 3.42Å; G301-G305 PolarHBondContact O-N 3.22Å |
| 302 | R | 98.7 | Very high | 98.8 | Very high | 140 Ų | 140 | 56.5 Ų | 56.5 | 53% | 0.528 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -61.6 | -52.1 | 176.5 | -179.1 | 71.4 | 105 | -117.9 | -4.7 | 111.1 | K299 A300 G305 R306 E334 | K299-R302 WeakPolarHBondContact O-CB 3.33Å; K299-R302 PolarHBondContact O-N 2.82Å; A300-R302 PolarHBondContact O-N 3.5Å; R302-G305 PolarHBondContact O-N 2.89Å; R302-R306 PolarHBondContact O-N 2.95Å; R302-E334 WeakPolarHBondContact CD-OE1 3.26Å; R302-E334 IonicContact CZ-OE1 3.78Å; R302-E334 IonicContact NE-OE1 3.16Å; R302-E334 PolarHBondContact NE-OE1 3.27Å |
| 303 | V | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.2 | -46.8 | -177.4 | 174.1 | 0 | 0 | 0 | 0 | 111.2 | A246 M250 K299 G305 R306 C307 V335 T338 | A246-V303 HydrophobicContact CB-CG1 3.59Å; M250-V303 HydrophobicContact CG-CB 4.18Å; M250-V303 HydrophobicContact CG-CG1 4.38Å; M250-V303 HydrophobicContact CG-CG2 3.99Å; K299-V303 WeakPolarHBondContact O-CG2 3.43Å; K299-V303 PolarHBondContact O-N 2.98Å; V303-G305 VanDerWaalsContact C-N 3.28Å; V303-G305 PolarHBondContact O-N 3.15Å; V303-R306 PolarHBondContact O-N 3.07Å; V303-R306 VanDerWaalsContact O-N 3.16Å; V303-C307 PolarHBondContact O-N 2.85Å; V303-C307 VanDerWaalsContact O-N 3.16Å; V303-V335 HydrophobicContact CG1-CG1 3.91Å; V303-V335 HydrophobicContact CG1-CG2 4.21Å; V303-V335 HydrophobicContact CG2-CG1 4.39Å; V303-V335 HydrophobicContact CG2-CG2 4.34Å; V303-T338 HydrophobicContact CG2-CG2 3.79Å |
| 304 | F | 98.9 | Very high | 98.9 | Very high | 132 Ų | 132 | 59.9 Ų | 59.9 | 58% | 0.579 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -59.9 | -39.2 | 175.9 | 175.5 | -109 | 0 | 0 | 0 | 112.4 | S247 A300 R306 C307 A308 | S247-F304 WeakPolarHBondContact OG-CA 3.44Å; A300-F304 WeakPolarHBondContact O-CB 3.45Å; A300-F304 PolarHBondContact O-N 3.23Å; F304-R306 VanDerWaalsContact C-N 3.31Å; F304-R306 PolarHBondContact O-N 2.89Å; F304-C307 WeakPolarHBondContact O-CB 3.44Å; F304-C307 PolarHBondContact O-N 3.33Å; F304-C307 VanDerWaalsContact O-N 3.16Å; F304-A308 HydrophobicContact CZ-CB 4.49Å; F304-A308 PolarHBondContact O-N 3.04Å |
| 305 | G | 98.9 | Very high | 98.8 | Very high | 38 Ų | 38 | 63.2 Ų | 63.2 | 39% | 0.392 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -58.3 | -40.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | G301 R302 V303 G309 | G301-G305 PolarHBondContact O-N 3.22Å; R302-G305 PolarHBondContact O-N 2.89Å; V303-G305 VanDerWaalsContact C-N 3.28Å; V303-G305 PolarHBondContact O-N 3.15Å; G305-G309 PolarHBondContact O-N 3.05Å |
| 306 | R | 98.8 | Very high | 98.8 | Very high | 67 Ų | 67 | 61.8 Ų | 61.8 | 25% | 0.253 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -67.3 | -40.5 | 175 | -57.5 | -57.4 | -77.3 | 163 | 1.5 | 111.6 | L243 R302 V303 F304 G309 L310 E330 A331 E334 V335 | L243-R306 HydrophobicContact CD2-CB 4.41Å; R302-R306 PolarHBondContact O-N 2.95Å; V303-R306 PolarHBondContact O-N 3.07Å; V303-R306 VanDerWaalsContact O-N 3.16Å; F304-R306 VanDerWaalsContact C-N 3.31Å; F304-R306 PolarHBondContact O-N 2.89Å; R306-G309 PolarHBondContact O-N 3.46Å; R306-L310 PolarHBondContact O-N 2.82Å; R306-E330 VanDerWaalsContact NH2-C 3.31Å; R306-A331 HydrophobicContact CB-CB 4.42Å; R306-E334 WeakPolarHBondContact CD-OE2 3.46Å; R306-E334 IonicContact CZ-OE2 3.31Å; R306-E334 IonicContact NE-OE2 3.67Å; R306-E334 PolarHBondContact NE-OE2 3.42Å; R306-V335 HydrophobicContact CB-CG2 3.9Å; R306-V335 HydrophobicContact CG-CG2 3.96Å |
| 307 | C | 98.9 | Very high | 98.8 | Very high | 6 Ų | 6 | 64 Ų | 64 | 4% | 0.041 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -59.4 | -49.3 | 174.4 | -172.2 | 0 | 0 | 0 | 0 | 111.9 | L243 V303 F304 L310 L311 | L243-C307 HydrophobicContact CB-CB 3.8Å; V303-C307 PolarHBondContact O-N 2.85Å; V303-C307 VanDerWaalsContact O-N 3.16Å; F304-C307 WeakPolarHBondContact O-CB 3.44Å; F304-C307 PolarHBondContact O-N 3.33Å; F304-C307 VanDerWaalsContact O-N 3.16Å; C307-L310 PolarHBondContact O-N 3.37Å; C307-L311 PolarHBondContact O-N 3.46Å; C307-L311 VanDerWaalsContact O-N 3.14Å |
| 308 | A | 98.9 | Very high | 98.8 | Very high | 43 Ų | 43 | 64.2 Ų | 64.2 | 36% | 0.355 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -64.5 | -41.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | F304 L311 M312 | F304-A308 HydrophobicContact CZ-CB 4.49Å; F304-A308 PolarHBondContact O-N 3.04Å; A308-L311 PolarHBondContact O-N 2.9Å; A308-M312 PolarHBondContact O-N 2.76Å; A308-M312 VanDerWaalsContact O-N 3.11Å |
| 309 | G | 98.9 | Very high | 98.8 | Very high | 36 Ų | 36 | 66 Ų | 66 | 37% | 0.371 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -58.8 | -50.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | G305 R306 L311 M312 T313 | G305-G309 PolarHBondContact O-N 3.05Å; R306-G309 PolarHBondContact O-N 3.46Å; G309-L311 PolarHBondContact O-N 2.7Å; G309-M312 PolarHBondContact O-N 2.75Å; G309-M312 VanDerWaalsContact O-N 3.16Å; G309-T313 PolarHBondContact O-N 3.11Å; G309-T313 PolarHBondContact O-OG1 3.26Å |
| 310 | L | 98.8 | Very high | 98.8 | Very high | 9 Ų | 9 | 63.9 Ų | 63.9 | 5% | 0.047 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -61.6 | -44.8 | 179.3 | -177.7 | 67.7 | 0 | 0 | 0 | 112.1 | V239 A240 L243 R306 C307 M312 T313 L314 | V239-L310 HydrophobicContact CB-CD2 3.83Å; V239-L310 HydrophobicContact CG1-CD2 3.35Å; A240-L310 HydrophobicContact CB-CD2 4.33Å; L243-L310 HydrophobicContact CD1-CB 3.81Å; L243-L310 HydrophobicContact CD1-CD2 3.51Å; L243-L310 HydrophobicContact CD1-CG 4.31Å; R306-L310 PolarHBondContact O-N 2.82Å; C307-L310 PolarHBondContact O-N 3.37Å; L310-M312 PolarHBondContact O-N 2.61Å; L310-T313 WeakPolarHBondContact O-CB 3.33Å; L310-T313 PolarHBondContact O-N 3.16Å; L310-T313 VanDerWaalsContact O-N 3.08Å; L310-L314 HydrophobicContact CD1-CD1 4.5Å; L310-L314 HydrophobicContact CD1-CG 4.31Å; L310-L314 HydrophobicContact CG-CD1 4.09Å; L310-L314 HydrophobicContact CG-CG 4.29Å; L310-L314 WeakPolarHBondContact O-CG 3.41Å; L310-L314 PolarHBondContact O-N 3.3Å |
| 311 | L | 98.9 | Very high | 98.8 | Very high | 96 Ų | 96 | 66.3 Ų | 66.3 | 50% | 0.503 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -58.8 | -36 | 177.5 | -80.8 | 166.5 | 0 | 0 | 0 | 112 | C307 A308 G309 K315 | C307-L311 PolarHBondContact O-N 3.46Å; C307-L311 VanDerWaalsContact O-N 3.14Å; A308-L311 PolarHBondContact O-N 2.9Å; G309-L311 PolarHBondContact O-N 2.7Å; L311-K315 WeakPolarHBondContact O-CB 3.33Å; L311-K315 PolarHBondContact O-N 3.36Å; L311-K315 VanDerWaalsContact O-N 3.17Å |
| 312 | M | 98.9 | Very high | 98.8 | Very high | 141 Ų | 141 | 65.8 Ų | 65.8 | 70% | 0.695 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -70.5 | -37.5 | 175.4 | -168.2 | 61.1 | 69.5 | 0 | 0 | 112.3 | A308 G309 L310 K315 | A308-M312 PolarHBondContact O-N 2.76Å; A308-M312 VanDerWaalsContact O-N 3.11Å; G309-M312 PolarHBondContact O-N 2.75Å; G309-M312 VanDerWaalsContact O-N 3.16Å; L310-M312 PolarHBondContact O-N 2.61Å; M312-K315 PolarHBondContact O-N 2.86Å |
| 313 | T | 98.8 | Very high | 98.7 | Very high | 42 Ų | 42 | 63.5 Ų | 63.5 | 26% | 0.258 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -63.1 | -41.1 | 173.9 | -58.8 | 0 | 0 | 0 | 0 | 112 | G309 L310 K315 L317 D324 E327 | G309-T313 PolarHBondContact O-N 3.11Å; G309-T313 PolarHBondContact O-OG1 3.26Å; L310-T313 WeakPolarHBondContact O-CB 3.33Å; L310-T313 PolarHBondContact O-N 3.16Å; L310-T313 VanDerWaalsContact O-N 3.08Å; T313-K315 VanDerWaalsContact C-N 3.33Å; T313-L317 WeakPolarHBondContact O-CD1 3.29Å; T313-L317 WeakPolarHBondContact O-CG 3.44Å; T313-D324 HydrophobicContact CG2-CB 4.12Å; T313-E327 HydrophobicContact CG2-CB 4.37Å |
| 314 | L | 98.8 | Very high | 98.7 | Very high | 39 Ų | 39 | 67.3 Ų | 67.3 | 20% | 0.204 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -73.2 | -26 | -179.6 | -64.1 | 178.3 | 0 | 0 | 0 | 113.1 | R236 L310 G316 L317 L325 | R236-L314 HydrophobicContact CB-CD1 4.21Å; R236-L314 HydrophobicContact CB-CD2 3.99Å; R236-L314 HydrophobicContact CG-CD2 4.29Å; L310-L314 HydrophobicContact CD1-CD1 4.5Å; L310-L314 HydrophobicContact CD1-CG 4.31Å; L310-L314 HydrophobicContact CG-CD1 4.09Å; L310-L314 HydrophobicContact CG-CG 4.29Å; L310-L314 WeakPolarHBondContact O-CG 3.41Å; L310-L314 PolarHBondContact O-N 3.3Å; L314-G316 PolarHBondContact O-N 3.08Å; L314-L317 HydrophobicContact CD2-CD1 4.41Å; L314-L317 PolarHBondContact O-N 3.03Å; L314-L325 HydrophobicContact CD2-CD2 3.64Å |
| 315 | K | 98.8 | Very high | 98.7 | Very high | 158 Ų | 158 | 61.3 Ų | 61.3 | 69% | 0.687 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | 120.4 | -172.5 | 178.7 | -95.4 | 176.2 | -170 | 0 | 111.1 | L311 M312 T313 L317 | L311-K315 WeakPolarHBondContact O-CB 3.33Å; L311-K315 PolarHBondContact O-N 3.36Å; L311-K315 VanDerWaalsContact O-N 3.17Å; M312-K315 PolarHBondContact O-N 2.86Å; T313-K315 VanDerWaalsContact C-N 3.33Å; K315-L317 VanDerWaalsContact C-N 3.26Å; K315-L317 PolarHBondContact O-N 2.93Å |
| 316 | G | 98.6 | Very high | 98.6 | Very high | 71 Ų | 71 | 60.6 Ų | 60.6 | 73% | 0.732 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72 | 15.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 115 | L314 | L314-G316 PolarHBondContact O-N 3.08Š|
| 317 | L | 98.6 | Very high | 98.6 | Very high | 49 Ų | 49 | 61.4 Ų | 61.4 | 26% | 0.257 | 35% | 0.351 | S | S | . | . | P | Polyproline II helix | trans | -60.6 | 133 | 169.8 | -69 | -179.4 | 0 | 0 | 0 | 109.9 | T313 L314 K315 D324 L325 | T313-L317 WeakPolarHBondContact O-CD1 3.29Å; T313-L317 WeakPolarHBondContact O-CG 3.44Å; L314-L317 HydrophobicContact CD2-CD1 4.41Å; L314-L317 PolarHBondContact O-N 3.03Å; K315-L317 VanDerWaalsContact C-N 3.26Å; K315-L317 PolarHBondContact O-N 2.93Å; L317-D324 HydrophobicContact CD1-CB 4.15Å; L317-D324 HydrophobicContact CD2-CB 3.85Å; L317-L325 HydrophobicContact CD1-CD2 3.83Å; L317-L325 HydrophobicContact CD1-CG 4.38Å |
| 318 | P | 98.7 | Very high | 98.6 | Very high | 86 Ų | 86 | 61.2 Ų | 61.2 | 56% | 0.558 | 35% | 0.35 | S | S | * | . | P | Polyproline II helix | trans | -69.5 | 156.6 | 170.8 | 31.9 | -34.6 | 0 | 0 | 0 | 109.7 | N322 | P318-N322 PolarHBondContact O-OD1 3.21Š|
| 319 | S | 98.6 | Very high | 98.6 | Very high | 104 Ų | 104 | 59.5 Ų | 59.5 | 73% | 0.727 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -63.6 | 145.2 | 167.1 | -53.4 | 0 | 0 | 0 | 0 | 110.2 | ||
| 320 | T | 98.2 | Very high | 98.6 | Very high | 16 Ų | 16 | 61.3 Ų | 61.3 | 10% | 0.098 | 33% | 0.333 | C | S | . | . | S | Bend | cis | -116.8 | -91.5 | 4.9 | -52.9 | 0 | 0 | 0 | 0 | 111.4 | I204 M230 S234 N322 | I204-T320 HydrophobicContact CD1-CG2 4.42Å; I204-T320 WeakPolarHBondContact CD1-OG1 3.45Å; I204-T320 HydrophobicContact CG1-CG2 4.14Å; M230-T320 HydrophobicContact CB-CG2 3.83Å; M230-T320 WeakPolarHBondContact CE-OG1 3.48Å; M230-T320 HydrophobicContact CG-CG2 4.42Å; M230-T320 WeakPolarHBondContact O-CG2 3.32Å; S234-T320 WeakPolarHBondContact CB-O 3.42Å; T320-N322 PolarHBondContact O-OD1 2.96Å |
| 321 | Y | 98.7 | Very high | 98.6 | Very high | 68 Ų | 68 | 61 Ų | 61 | 27% | 0.267 | 33% | 0.332 | S | S | . | . | trans | -78 | 130.8 | 172.6 | 172.7 | -89.9 | 0 | 0 | 0 | 109.7 | N114 L325 | N114-Y321 HydrophobicContact CB-CD2 4.37Å; N114-Y321 HydrophobicContact CB-CG 4.45Å; N114-Y321 WeakPolarHBondContact ND2-CB 3.47Å; Y321-L325 HydrophobicContact CD2-CD1 3.97Å; Y321-L325 HydrophobicContact CE2-CB 4.29Å; Y321-L325 HydrophobicContact CE2-CD1 4.5Å | ||
| 322 | N | 98.5 | Very high | 98.6 | Very high | 40 Ų | 40 | 56.5 Ų | 56.5 | 21% | 0.214 | 31% | 0.308 | C | S | . | . | trans | -125.9 | 150.6 | 172.6 | -71.8 | 77.5 | 0 | 0 | 0 | 109.4 | P318 T320 D324 L325 | P318-N322 PolarHBondContact O-OD1 3.21Å; T320-N322 PolarHBondContact O-OD1 2.96Å; N322-D324 HydrophobicContact CB-CB 4.49Å; N322-D324 WeakPolarHBondContact CB-OD2 3.22Å; N322-D324 PolarHBondContact O-N 2.98Å; N322-L325 VanDerWaalsContact O-CB 3.3Å; N322-L325 WeakPolarHBondContact O-CB 3.37Å; N322-L325 WeakPolarHBondContact O-CG 3.48Å; N322-L325 PolarHBondContact O-N 3.39Å | ||
| 323 | K | 97.8 | Very high | 98.5 | Very high | 92 Ų | 92 | 50.4 Ų | 50.4 | 40% | 0.4 | 28% | 0.278 | S | S | . | . | G | 310 helix | trans | -64.3 | -23.4 | -177.3 | -163 | 62.3 | 163.2 | 165.4 | 0 | 112 | N25 E86 L325 Q326 | N25-K323 WeakPolarHBondContact OD1-CE 3.47Å; N25-K323 PolarHBondContact OD1-NZ 2.93Å; N25-K323 VanDerWaalsContact OD1-NZ 3.1Å; E86-K323 IonicContact OE1-NZ 3.32Å; K323-L325 PolarHBondContact O-N 3.02Å; K323-L325 VanDerWaalsContact O-N 3.13Å; K323-Q326 VanDerWaalsContact NZ-OE1 3.13Å; K323-Q326 WeakPolarHBondContact O-CB 3.44Å; K323-Q326 PolarHBondContact O-N 2.73Å |
| 324 | D | 98.6 | Very high | 98.5 | Very high | 80 Ų | 80 | 51.4 Ų | 51.4 | 43% | 0.428 | 28% | 0.28 | S | S | . | . | G | 310 helix | trans | -49.6 | -33.4 | 169.5 | -50.7 | -107.7 | 0 | 0 | 0 | 112.5 | T313 L317 N322 Q326 E327 | T313-D324 HydrophobicContact CG2-CB 4.12Å; L317-D324 HydrophobicContact CD1-CB 4.15Å; L317-D324 HydrophobicContact CD2-CB 3.85Å; N322-D324 HydrophobicContact CB-CB 4.49Å; N322-D324 WeakPolarHBondContact CB-OD2 3.22Å; N322-D324 PolarHBondContact O-N 2.98Å; D324-Q326 PolarHBondContact O-N 3.41Å; D324-E327 PolarHBondContact O-N 3.32Å |
| 325 | L | 98.6 | Very high | 98.5 | Very high | 6 Ų | 6 | 49.6 Ų | 49.6 | 3% | 0.031 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -68.7 | -0 | 177.8 | -59.1 | 176.1 | 0 | 0 | 0 | 113.7 | S234 R236 L314 L317 Y321 N322 K323 E327 D328 | S234-L325 WeakPolarHBondContact O-CD1 3.5Å; R236-L325 HydrophobicContact CG-CD2 3.9Å; L314-L325 HydrophobicContact CD2-CD2 3.64Å; L317-L325 HydrophobicContact CD1-CD2 3.83Å; L317-L325 HydrophobicContact CD1-CG 4.38Å; Y321-L325 HydrophobicContact CD2-CD1 3.97Å; Y321-L325 HydrophobicContact CE2-CB 4.29Å; Y321-L325 HydrophobicContact CE2-CD1 4.5Å; N322-L325 VanDerWaalsContact O-CB 3.3Å; N322-L325 WeakPolarHBondContact O-CB 3.37Å; N322-L325 WeakPolarHBondContact O-CG 3.48Å; N322-L325 PolarHBondContact O-N 3.39Å; K323-L325 PolarHBondContact O-N 3.02Å; K323-L325 VanDerWaalsContact O-N 3.13Å; L325-E327 VanDerWaalsContact C-N 3.33Å; L325-D328 VanDerWaalsContact O-OD1 3.09Å |
| 326 | Q | 98.2 | Very high | 98.6 | Very high | 23 Ų | 23 | 42.2 Ų | 42.2 | 11% | 0.107 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -74.2 | -24.2 | 172.9 | -169.3 | 169.2 | 6.3 | 0 | 0 | 112.6 | N25 S27 K323 D324 D328 K329 | N25-Q326 PolarHBondContact O-NE2 2.92Å; S27-Q326 PolarHBondContact OG-NE2 3.34Å; K323-Q326 VanDerWaalsContact NZ-OE1 3.13Å; K323-Q326 WeakPolarHBondContact O-CB 3.44Å; K323-Q326 PolarHBondContact O-N 2.73Å; D324-Q326 PolarHBondContact O-N 3.41Å; Q326-D328 PolarHBondContact O-N 3.25Å; Q326-K329 PolarHBondContact O-NZ 3.15Å |
| 327 | E | 98.5 | Very high | 98.6 | Very high | 84 Ų | 84 | 43.9 Ų | 43.9 | 39% | 0.393 | 23% | 0.231 | S | C | . | . | G | 310 helix | trans | -68.4 | -9.8 | -179.3 | -72.7 | -66.5 | 131.2 | 0 | 0 | 114.4 | T313 D324 L325 K329 | T313-E327 HydrophobicContact CG2-CB 4.37Å; D324-E327 PolarHBondContact O-N 3.32Å; L325-E327 VanDerWaalsContact C-N 3.33Å; E327-K329 PolarHBondContact O-N 3.49Å |
| 328 | D | 98.7 | Very high | 98.6 | Very high | 2 Ų | 2 | 42.4 Ų | 42.4 | 1% | 0.011 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.1 | -40.6 | -179.6 | 59.7 | -3.1 | 0 | 0 | 0 | 113.2 | L121 R236 V239 L325 Q326 A331 V332 | L121-D328 HydrophobicContact CD2-CB 4.27Å; L121-D328 WeakPolarHBondContact CD2-OD2 3.4Å; R236-D328 WeakPolarHBondContact CD-OD2 3.43Å; R236-D328 IonicContact CZ-OD2 2.74Å; R236-D328 IonicContact NE-OD2 2.62Å; R236-D328 PolarHBondContact NE-OD2 2.96Å; R236-D328 IonicContact NH2-OD2 3.74Å; V239-D328 HydrophobicContact CG2-CB 4.4Å; L325-D328 VanDerWaalsContact O-OD1 3.09Å; Q326-D328 PolarHBondContact O-N 3.25Å; D328-A331 PolarHBondContact O-N 2.98Å; D328-V332 WeakPolarHBondContact O-CG2 3.49Å; D328-V332 PolarHBondContact O-N 3.06Å; D328-V332 VanDerWaalsContact O-N 3.08Å |
| 329 | K | 98.6 | Very high | 98.6 | Very high | 7 Ų | 7 | 38.3 Ų | 38.3 | 3% | 0.03 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.9 | -54.5 | -170.1 | -80.3 | 166.3 | -134.7 | 61.7 | 0 | 112.9 | Y30 D31 L34 L121 Q326 E327 A331 V332 F333 | Y30-K329 HydrophobicContact CD2-CB 4.11Å; Y30-K329 HydrophobicContact CE2-CB 4.03Å; Y30-K329 HydrophobicContact CE2-CD 4.29Å; D31-K329 HydrophobicContact CB-CD 3.94Å; L34-K329 HydrophobicContact CD1-CD 4.16Å; L121-K329 HydrophobicContact CD1-CG 4.39Å; Q326-K329 PolarHBondContact O-NZ 3.15Å; E327-K329 PolarHBondContact O-N 3.49Å; K329-A331 PolarHBondContact O-N 2.94Å; K329-V332 PolarHBondContact O-N 3.07Å; K329-V332 VanDerWaalsContact O-N 3.12Å; K329-F333 HydrophobicContact CB-CD2 4.27Å; K329-F333 HydrophobicContact CB-CE2 3.71Å; K329-F333 HydrophobicContact CB-CZ 4.08Å; K329-F333 HydrophobicContact CG-CE2 4.21Å; K329-F333 HydrophobicContact CG-CZ 4.14Å; K329-F333 VanDerWaalsContact O-CD2 3.24Å; K329-F333 WeakPolarHBondContact O-CD2 3.3Å; K329-F333 WeakPolarHBondContact O-CG 3.35Å; K329-F333 PolarHBondContact O-N 3.06Å |
| 330 | E | 98.4 | Very high | 98.6 | Very high | 75 Ų | 75 | 34.5 Ų | 34.5 | 35% | 0.35 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -60.1 | -35.4 | -179 | -66.7 | -176.6 | -115.8 | 0 | 0 | 111.1 | Y30 R306 E334 | Y30-E330 HydrophobicContact CD1-CG 3.68Å; Y30-E330 HydrophobicContact CD2-CG 3.83Å; Y30-E330 HydrophobicContact CE1-CG 3.78Å; Y30-E330 WeakPolarHBondContact CE1-OE1 3.41Å; Y30-E330 HydrophobicContact CE2-CG 3.94Å; Y30-E330 HydrophobicContact CG-CG 3.7Å; R306-E330 VanDerWaalsContact NH2-C 3.31Å; E330-E334 WeakPolarHBondContact O-CB 3.41Å; E330-E334 PolarHBondContact O-N 3.2Å; E330-E334 VanDerWaalsContact O-N 3.09Å |
| 331 | A | 98.6 | Very high | 98.6 | Very high | 3 Ų | 3 | 36.2 Ų | 36.2 | 3% | 0.025 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.5 | -47 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | L243 R306 D328 K329 V335 | L243-A331 HydrophobicContact CD1-CB 4.1Å; R306-A331 HydrophobicContact CB-CB 4.42Å; D328-A331 PolarHBondContact O-N 2.98Å; K329-A331 PolarHBondContact O-N 2.94Å; A331-V335 WeakPolarHBondContact O-CB 3.48Å; A331-V335 WeakPolarHBondContact O-CG2 3.42Å; A331-V335 PolarHBondContact O-N 2.96Å |
| 332 | V | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.9 | -47.1 | 176.7 | 171.4 | 0 | 0 | 0 | 0 | 111.5 | L121 W124 M125 V239 F242 D328 K329 V335 S336 | L121-V332 HydrophobicContact CD1-CB 4.48Å; L121-V332 HydrophobicContact CD1-CG1 4.31Å; L121-V332 HydrophobicContact CD1-CG2 4.49Å; W124-V332 HydrophobicContact CE3-CG1 4.02Å; W124-V332 HydrophobicContact CH2-CG1 4.41Å; W124-V332 HydrophobicContact CZ3-CG1 3.51Å; M125-V332 HydrophobicContact CE-CG1 4.41Å; M125-V332 HydrophobicContact CE-CG2 4.26Å; M125-V332 HydrophobicContact CG-CG1 3.79Å; M125-V332 HydrophobicContact SD-CG1 4.03Å; M125-V332 HydrophobicContact SD-CG2 3.93Å; V239-V332 HydrophobicContact CB-CG2 4.37Å; V239-V332 HydrophobicContact CG1-CG2 3.39Å; V239-V332 HydrophobicContact CG2-CG2 4.22Å; F242-V332 HydrophobicContact CE1-CG1 4.47Å; D328-V332 WeakPolarHBondContact O-CG2 3.49Å; D328-V332 PolarHBondContact O-N 3.06Å; D328-V332 VanDerWaalsContact O-N 3.08Å; K329-V332 PolarHBondContact O-N 3.07Å; K329-V332 VanDerWaalsContact O-N 3.12Å; V332-V335 PolarHBondContact O-N 2.92Å; V332-S336 VanDerWaalsContact O-CB 3.23Å; V332-S336 WeakPolarHBondContact O-CB 3.49Å; V332-S336 PolarHBondContact O-N 3.39Å; V332-S336 PolarHBondContact O-OG 3.26Å |
| 333 | F | 98.6 | Very high | 98.7 | Very high | 13 Ų | 13 | 31.5 Ų | 31.5 | 6% | 0.057 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -65.2 | -51.2 | -174.5 | -59.6 | -28 | 0 | 0 | 0 | 111.5 | Y30 H33 L34 L121 W124 K329 V335 S336 D337 | Y30-F333 HydrophobicContact CD2-CE2 4.27Å; Y30-F333 WeakPolarHBondContact O-CE2 3.44Å; H33-F333 HydrophobicContact CB-CZ 4.47Å; L34-F333 HydrophobicContact CD1-CZ 4.3Å; L34-F333 HydrophobicContact CD2-CE1 4.09Å; L34-F333 HydrophobicContact CD2-CZ 3.88Å; L34-F333 HydrophobicContact CG-CZ 3.93Å; L121-F333 HydrophobicContact CD1-CE1 4.37Å; W124-F333 HydrophobicContact CD2-CD1 4.47Å; W124-F333 HydrophobicContact CD2-CE1 4.03Å; W124-F333 HydrophobicContact CE3-CD1 4.36Å; W124-F333 HydrophobicContact CE3-CE1 4.15Å; W124-F333 AromaticContact CH2-CD1 3.79Å; W124-F333 HydrophobicContact CH2-CD1 3.79Å; W124-F333 HydrophobicContact CH2-CE1 4.31Å; W124-F333 AromaticContact CZ2-CD1 3.88Å; W124-F333 HydrophobicContact CZ2-CD1 3.88Å; W124-F333 HydrophobicContact CZ2-CE1 4.17Å; W124-F333 HydrophobicContact CZ3-CD1 4.06Å; W124-F333 HydrophobicContact CZ3-CE1 4.31Å; K329-F333 HydrophobicContact CB-CD2 4.27Å; K329-F333 HydrophobicContact CB-CE2 3.71Å; K329-F333 HydrophobicContact CB-CZ 4.08Å; K329-F333 HydrophobicContact CG-CE2 4.21Å; K329-F333 HydrophobicContact CG-CZ 4.14Å; K329-F333 VanDerWaalsContact O-CD2 3.24Å; K329-F333 WeakPolarHBondContact O-CD2 3.3Å; K329-F333 WeakPolarHBondContact O-CG 3.35Å; K329-F333 PolarHBondContact O-N 3.06Å; F333-V335 VanDerWaalsContact C-N 3.3Å; F333-V335 PolarHBondContact O-N 3.29Å; F333-S336 PolarHBondContact O-N 2.81Å; F333-D337 PolarHBondContact O-N 3Å |
| 334 | E | 98.7 | Very high | 98.7 | Very high | 64 Ų | 64 | 32.4 Ų | 32.4 | 30% | 0.299 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -59.2 | -42.6 | 179.5 | -175.3 | -175.6 | -164.7 | 0 | 0 | 111.8 | R302 R306 E330 T338 | R302-E334 WeakPolarHBondContact CD-OE1 3.26Å; R302-E334 IonicContact CZ-OE1 3.78Å; R302-E334 IonicContact NE-OE1 3.16Å; R302-E334 PolarHBondContact NE-OE1 3.27Å; R306-E334 WeakPolarHBondContact CD-OE2 3.46Å; R306-E334 IonicContact CZ-OE2 3.31Å; R306-E334 IonicContact NE-OE2 3.67Å; R306-E334 PolarHBondContact NE-OE2 3.42Å; E330-E334 WeakPolarHBondContact O-CB 3.41Å; E330-E334 PolarHBondContact O-N 3.2Å; E330-E334 VanDerWaalsContact O-N 3.09Å; E334-T338 VanDerWaalsContact O-CB 3.3Å; E334-T338 WeakPolarHBondContact O-CB 3.2Å; E334-T338 PolarHBondContact O-N 3.45Å; E334-T338 PolarHBondContact O-OG1 2.96Å |
| 335 | V | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.006 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -70.2 | -38.3 | 180 | 171.5 | 0 | 0 | 0 | 0 | 111.5 | F242 L243 A246 V303 R306 A331 V332 F333 T338 M339 | F242-V335 HydrophobicContact CE1-CB 4.23Å; F242-V335 HydrophobicContact CE1-CG1 3.84Å; F242-V335 HydrophobicContact CZ-CG1 4.24Å; L243-V335 HydrophobicContact CD2-CB 3.83Å; L243-V335 HydrophobicContact CD2-CG1 4.03Å; L243-V335 HydrophobicContact CD2-CG2 3.58Å; A246-V335 HydrophobicContact CB-CG1 3.44Å; A246-V335 VanDerWaalsContact CB-CG1 3.44Å; V303-V335 HydrophobicContact CG1-CG1 3.91Å; V303-V335 HydrophobicContact CG1-CG2 4.21Å; V303-V335 HydrophobicContact CG2-CG1 4.39Å; V303-V335 HydrophobicContact CG2-CG2 4.34Å; R306-V335 HydrophobicContact CB-CG2 3.9Å; R306-V335 HydrophobicContact CG-CG2 3.96Å; A331-V335 WeakPolarHBondContact O-CB 3.48Å; A331-V335 WeakPolarHBondContact O-CG2 3.42Å; A331-V335 PolarHBondContact O-N 2.96Å; V332-V335 PolarHBondContact O-N 2.92Å; F333-V335 VanDerWaalsContact C-N 3.3Å; F333-V335 PolarHBondContact O-N 3.29Å; V335-T338 PolarHBondContact O-N 3.48Å; V335-M339 HydrophobicContact CG1-CG 4.08Å; V335-M339 WeakPolarHBondContact O-CB 3.32Å; V335-M339 VanDerWaalsContact O-CG 3.26Å; V335-M339 WeakPolarHBondContact O-CG 3.35Å; V335-M339 PolarHBondContact O-N 3.14Å |
| 336 | S | 98.9 | Very high | 98.7 | Very high | 2 Ų | 2 | 30.6 Ų | 30.6 | 1% | 0.014 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.5 | -44.4 | 177.7 | -62.8 | 0 | 0 | 0 | 0 | 112.3 | W124 F242 V332 F333 S340 | W124-S336 WeakPolarHBondContact CH2-OG 3.28Å; W124-S336 WeakPolarHBondContact CZ3-OG 3.21Å; F242-S336 WeakPolarHBondContact CZ-OG 3.17Å; V332-S336 VanDerWaalsContact O-CB 3.23Å; V332-S336 WeakPolarHBondContact O-CB 3.49Å; V332-S336 PolarHBondContact O-N 3.39Å; V332-S336 PolarHBondContact O-OG 3.26Å; F333-S336 PolarHBondContact O-N 2.81Å; S336-S340 WeakPolarHBondContact O-CB 3.27Å; S336-S340 PolarHBondContact O-N 3.41Å; S336-S340 PolarHBondContact O-OG 3.46Å |
| 337 | D | 98.7 | Very high | 98.8 | Very high | 107 Ų | 107 | 30.4 Ų | 30.4 | 57% | 0.572 | 16% | 0.164 | S | C | * | . | H | α-helix | trans | -65.8 | -43.9 | 176.4 | -71.7 | -21.6 | 0 | 0 | 0 | 111.1 | F333 M339 S340 A341 | F333-D337 PolarHBondContact O-N 3Å; D337-M339 PolarHBondContact O-N 3.39Å; D337-S340 PolarHBondContact O-N 3.32Å; D337-A341 WeakPolarHBondContact O-CB 3.03Å; D337-A341 PolarHBondContact O-N 3.38Å |
| 338 | T | 98.9 | Very high | 98.8 | Very high | 18 Ų | 18 | 26.9 Ų | 26.9 | 11% | 0.11 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -59.2 | -49.1 | 177.4 | -63.7 | 0 | 0 | 0 | 0 | 111.4 | K299 V303 E334 V335 A341 V342 | K299-T338 HydrophobicContact CB-CG2 3.8Å; K299-T338 HydrophobicContact CD-CG2 3.91Å; K299-T338 HydrophobicContact CG-CG2 3.98Å; V303-T338 HydrophobicContact CG2-CG2 3.79Å; E334-T338 VanDerWaalsContact O-CB 3.3Å; E334-T338 WeakPolarHBondContact O-CB 3.2Å; E334-T338 PolarHBondContact O-N 3.45Å; E334-T338 PolarHBondContact O-OG1 2.96Å; V335-T338 PolarHBondContact O-N 3.48Å; T338-A341 PolarHBondContact O-N 3.19Å; T338-V342 HydrophobicContact CG2-CG2 4.27Å; T338-V342 VanDerWaalsContact O-CB 3.29Å; T338-V342 WeakPolarHBondContact O-CB 3.47Å; T338-V342 VanDerWaalsContact O-CG2 3.29Å; T338-V342 WeakPolarHBondContact O-CG2 3.35Å; T338-V342 PolarHBondContact O-N 3.34Å |
| 339 | M | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -63.5 | -43.6 | 179.6 | -71.1 | -53.6 | -62.2 | 0 | 0 | 111.4 | L132 W245 A246 C249 M250 V335 D337 A341 V342 L343 | L132-M339 HydrophobicContact CD1-CB 4.5Å; L132-M339 HydrophobicContact CD2-CB 3.73Å; W245-M339 HydrophobicContact CH2-CE 4.03Å; W245-M339 HydrophobicContact CH2-CG 4.46Å; W245-M339 HydrophobicContact CZ2-CE 4.49Å; W245-M339 HydrophobicContact CZ3-CE 4.44Å; W245-M339 HydrophobicContact CZ3-CG 4.22Å; A246-M339 HydrophobicContact CB-CG 3.87Å; A246-M339 HydrophobicContact CB-SD 3.93Å; C249-M339 HydrophobicContact CB-CE 3.91Å; M250-M339 HydrophobicContact CG-CE 4.48Å; M250-M339 HydrophobicContact CG-SD 3.61Å; M250-M339 HydrophobicContact SD-CE 4.38Å; M250-M339 HydrophobicContact SD-SD 3.73Å; V335-M339 HydrophobicContact CG1-CG 4.08Å; V335-M339 WeakPolarHBondContact O-CB 3.32Å; V335-M339 VanDerWaalsContact O-CG 3.26Å; V335-M339 WeakPolarHBondContact O-CG 3.35Å; V335-M339 PolarHBondContact O-N 3.14Å; D337-M339 PolarHBondContact O-N 3.39Å; M339-A341 PolarHBondContact O-N 3.34Å; M339-V342 PolarHBondContact O-N 3.37Å; M339-L343 WeakPolarHBondContact O-CB 3.49Å; M339-L343 WeakPolarHBondContact O-CG 3.42Å; M339-L343 PolarHBondContact O-N 3.39Å |
| 340 | S | 98.9 | Very high | 98.8 | Very high | 24 Ų | 24 | 26.5 Ų | 26.5 | 17% | 0.168 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60.6 | -46.3 | 178.6 | -60.2 | 0 | 0 | 0 | 0 | 111.6 | L132 S336 D337 Q344 | L132-S340 WeakPolarHBondContact CD2-OG 3.45Å; S336-S340 WeakPolarHBondContact O-CB 3.27Å; S336-S340 PolarHBondContact O-N 3.41Å; S336-S340 PolarHBondContact O-OG 3.46Å; D337-S340 PolarHBondContact O-N 3.32Å; S340-Q344 WeakPolarHBondContact O-CG 3.42Å; S340-Q344 PolarHBondContact O-N 3.43Å; S340-Q344 PolarHBondContact O-NE2 2.83Å |
| 341 | A | 98.8 | Very high | 98.8 | Very high | 52 Ų | 52 | 26.4 Ų | 26.4 | 43% | 0.43 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -66 | -47.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | D337 T338 M339 L343 Q344 V345 | D337-A341 WeakPolarHBondContact O-CB 3.03Å; D337-A341 PolarHBondContact O-N 3.38Å; T338-A341 PolarHBondContact O-N 3.19Å; M339-A341 PolarHBondContact O-N 3.34Å; A341-L343 PolarHBondContact O-N 2.92Å; A341-Q344 PolarHBondContact O-N 2.77Å; A341-V345 VanDerWaalsContact O-CG2 3.3Å; A341-V345 WeakPolarHBondContact O-CG2 3.34Å; A341-V345 PolarHBondContact O-N 2.93Å |
| 342 | V | 98.9 | Very high | 98.8 | Very high | 9 Ų | 9 | 28.9 Ų | 28.9 | 6% | 0.055 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.3 | -44.1 | -178.1 | 162.3 | 0 | 0 | 0 | 0 | 111.6 | M250 L253 I296 K299 T338 M339 Q344 V345 A346 | M250-V342 HydrophobicContact CE-CG1 4.07Å; M250-V342 HydrophobicContact CE-CG2 4.26Å; M250-V342 HydrophobicContact SD-CB 4.27Å; M250-V342 HydrophobicContact SD-CG1 3.7Å; M250-V342 HydrophobicContact SD-CG2 4.31Å; L253-V342 HydrophobicContact CD1-CG1 3.53Å; I296-V342 HydrophobicContact CG1-CG1 4.13Å; I296-V342 HydrophobicContact CG2-CG1 4.08Å; K299-V342 HydrophobicContact CB-CG2 4.16Å; K299-V342 HydrophobicContact CG-CG2 4.13Å; T338-V342 HydrophobicContact CG2-CG2 4.27Å; T338-V342 VanDerWaalsContact O-CB 3.29Å; T338-V342 WeakPolarHBondContact O-CB 3.47Å; T338-V342 VanDerWaalsContact O-CG2 3.29Å; T338-V342 WeakPolarHBondContact O-CG2 3.35Å; T338-V342 PolarHBondContact O-N 3.34Å; M339-V342 PolarHBondContact O-N 3.37Å; V342-Q344 PolarHBondContact O-N 3.18Å; V342-V345 PolarHBondContact O-N 3.42Å; V342-A346 WeakPolarHBondContact O-CB 3.41Å; V342-A346 PolarHBondContact O-N 3.28Å |
| 343 | L | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.7 | -42 | 179.1 | -71.2 | 170.2 | 0 | 0 | 0 | 111.8 | L132 L135 L136 L139 L253 M339 A341 T347 | L132-L343 HydrophobicContact CD2-CD1 4.1Å; L135-L343 HydrophobicContact CB-CB 4.09Å; L135-L343 HydrophobicContact CB-CD1 4.03Å; L136-L343 HydrophobicContact CB-CD1 4.34Å; L136-L343 HydrophobicContact CB-CD2 4.45Å; L136-L343 HydrophobicContact CD1-CD2 3.85Å; L139-L343 HydrophobicContact CD2-CD2 4Å; L253-L343 HydrophobicContact CD1-CD2 4.18Å; M339-L343 WeakPolarHBondContact O-CB 3.49Å; M339-L343 WeakPolarHBondContact O-CG 3.42Å; M339-L343 PolarHBondContact O-N 3.39Å; A341-L343 PolarHBondContact O-N 2.92Å; L343-T347 WeakPolarHBondContact O-CB 3.34Å; L343-T347 PolarHBondContact O-N 3.48Å; L343-T347 PolarHBondContact O-OG1 3.45Å |
| 344 | Q | 98.9 | Very high | 98.8 | Very high | 110 Ų | 110 | 34.1 Ų | 34.1 | 51% | 0.514 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -67 | -44 | 176.8 | -72.4 | 173.5 | 90.3 | 0 | 0 | 112.1 | L135 S340 A341 V342 T347 G348 | L135-Q344 HydrophobicContact CD1-CG 4.25Å; L135-Q344 HydrophobicContact CD2-CG 3.72Å; S340-Q344 WeakPolarHBondContact O-CG 3.42Å; S340-Q344 PolarHBondContact O-N 3.43Å; S340-Q344 PolarHBondContact O-NE2 2.83Å; A341-Q344 PolarHBondContact O-N 2.77Å; V342-Q344 PolarHBondContact O-N 3.18Å; Q344-T347 WeakPolarHBondContact O-CB 3.48Å; Q344-T347 PolarHBondContact O-N 3.42Å; Q344-G348 PolarHBondContact O-N 3.41Å |
| 345 | V | 98.9 | Very high | 98.8 | Very high | 48 Ų | 48 | 32.2 Ų | 32.2 | 29% | 0.291 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -64.5 | -44.1 | 177.1 | 173.3 | 0 | 0 | 0 | 0 | 110.9 | Y277 I296 A341 V342 T347 G348 V349 | Y277-V345 HydrophobicContact CD1-CG1 4.33Å; I296-V345 HydrophobicContact CD1-CG1 4.14Å; A341-V345 VanDerWaalsContact O-CG2 3.3Å; A341-V345 WeakPolarHBondContact O-CG2 3.34Å; A341-V345 PolarHBondContact O-N 2.93Å; V342-V345 PolarHBondContact O-N 3.42Å; V345-T347 VanDerWaalsContact C-N 3.3Å; V345-T347 PolarHBondContact O-N 3.08Å; V345-G348 PolarHBondContact O-N 2.9Å; V345-V349 HydrophobicContact CG1-CG2 4.34Å; V345-V349 WeakPolarHBondContact O-CG2 3.2Å; V345-V349 PolarHBondContact O-N 3.47Å |
| 346 | A | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.3 | -42.2 | 176 | 0 | 0 | 0 | 0 | 0 | 111.6 | L139 L253 M256 I296 V342 V349 I350 | L139-A346 HydrophobicContact CD1-CB 4.19Å; L139-A346 HydrophobicContact CD2-CB 4.06Å; L253-A346 HydrophobicContact CD2-CB 4.42Å; M256-A346 HydrophobicContact CE-CB 4.11Å; I296-A346 HydrophobicContact CD1-CB 4.03Å; V342-A346 WeakPolarHBondContact O-CB 3.41Å; V342-A346 PolarHBondContact O-N 3.28Å; A346-V349 PolarHBondContact O-N 3.47Å; A346-I350 WeakPolarHBondContact O-CG2 3.47Å; A346-I350 PolarHBondContact O-N 3.04Å |
| 347 | T | 98.9 | Very high | 98.8 | Very high | 20 Ų | 20 | 40.6 Ų | 40.6 | 12% | 0.123 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.7 | -47.1 | 175.6 | -58.2 | 0 | 0 | 0 | 0 | 110.9 | E138 L139 L343 Q344 V345 I350 S351 | E138-T347 HydrophobicContact CG-CG2 3.92Å; L139-T347 WeakPolarHBondContact CB-OG1 3.35Å; L343-T347 WeakPolarHBondContact O-CB 3.34Å; L343-T347 PolarHBondContact O-N 3.48Å; L343-T347 PolarHBondContact O-OG1 3.45Å; Q344-T347 WeakPolarHBondContact O-CB 3.48Å; Q344-T347 PolarHBondContact O-N 3.42Å; V345-T347 VanDerWaalsContact C-N 3.3Å; V345-T347 PolarHBondContact O-N 3.08Å; T347-I350 WeakPolarHBondContact O-CG2 3.4Å; T347-S351 WeakPolarHBondContact O-CB 3.4Å; T347-S351 PolarHBondContact O-N 3.27Å |
| 348 | G | 98.8 | Very high | 98.8 | Very high | 9 Ų | 9 | 42.5 Ų | 42.5 | 9% | 0.093 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58.9 | -48.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y277 Q344 V345 S351 T352 | Y277-G348 WeakPolarHBondContact CE2-O 3.38Å; Y277-G348 VanDerWaalsContact CZ-CA 3.49Å; Y277-G348 WeakPolarHBondContact OH-CA 3.32Å; Q344-G348 PolarHBondContact O-N 3.41Å; V345-G348 PolarHBondContact O-N 2.9Å; G348-S351 PolarHBondContact O-N 3.23Å; G348-T352 PolarHBondContact O-N 2.88Å; G348-T352 PolarHBondContact O-OG1 3.23Å |
| 349 | V | 98.8 | Very high | 98.8 | Very high | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.006 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -57.6 | -52.4 | 178.8 | 167.1 | 0 | 0 | 0 | 0 | 111.7 | L260 L273 Y277 S292 L293 V345 A346 S351 T352 L353 | L260-V349 HydrophobicContact CD1-CG1 4.27Å; L273-V349 HydrophobicContact CD2-CG1 3.88Å; Y277-V349 HydrophobicContact CD1-CG2 4.16Å; Y277-V349 HydrophobicContact CD2-CG2 4.32Å; Y277-V349 HydrophobicContact CG-CG2 3.82Å; S292-V349 WeakPolarHBondContact OG-CG2 3.36Å; L293-V349 HydrophobicContact CD2-CG1 3.8Å; L293-V349 HydrophobicContact CG-CG1 4.48Å; V345-V349 HydrophobicContact CG1-CG2 4.34Å; V345-V349 WeakPolarHBondContact O-CG2 3.2Å; V345-V349 PolarHBondContact O-N 3.47Å; A346-V349 PolarHBondContact O-N 3.47Å; V349-S351 VanDerWaalsContact C-N 3.31Å; V349-S351 PolarHBondContact O-N 3.35Å; V349-T352 PolarHBondContact O-N 2.89Å; V349-L353 WeakPolarHBondContact O-CB 3.46Å; V349-L353 PolarHBondContact O-N 3.39Å |
| 350 | I | 98.6 | Very high | 98.8 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -70.1 | -31.4 | -178.2 | -167 | 56.7 | 0 | 0 | 0 | 111.8 | L139 T142 M143 R146 A346 T347 L353 | L139-I350 HydrophobicContact CD1-CG2 3.87Å; T142-I350 HydrophobicContact CG2-CG2 3.91Å; M143-I350 HydrophobicContact CG-CG1 4.04Å; M143-I350 HydrophobicContact CG-CG2 4.15Å; R146-I350 VanDerWaalsContact CZ-O 3.23Å; R146-I350 PolarHBondContact NE-O 2.99Å; R146-I350 PolarHBondContact NH2-O 2.87Å; A346-I350 WeakPolarHBondContact O-CG2 3.47Å; A346-I350 PolarHBondContact O-N 3.04Å; T347-I350 WeakPolarHBondContact O-CG2 3.4Å; I350-L353 HydrophobicContact CD1-CD2 3.67Å; I350-L353 HydrophobicContact CD1-CG 4.38Å |
| 351 | S | 98.7 | Very high | 98.8 | Very high | 73 Ų | 73 | 44.9 Ų | 44.9 | 51% | 0.51 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -66 | -39.5 | 177.1 | -173.1 | 0 | 0 | 0 | 0 | 112 | T347 G348 V349 | T347-S351 WeakPolarHBondContact O-CB 3.4Å; T347-S351 PolarHBondContact O-N 3.27Å; G348-S351 PolarHBondContact O-N 3.23Å; V349-S351 VanDerWaalsContact C-N 3.31Å; V349-S351 PolarHBondContact O-N 3.35Å |
| 352 | T | 98.7 | Very high | 98.7 | Very high | 55 Ų | 55 | 49.3 Ų | 49.3 | 34% | 0.337 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -107.2 | -9.6 | -169.7 | 66.7 | 0 | 0 | 0 | 0 | 116 | S274 Y277 G348 V349 | S274-T352 WeakPolarHBondContact CB-OG1 3.49Å; S274-T352 PolarHBondContact OG-OG1 3.43Å; Y277-T352 WeakPolarHBondContact CD2-OG1 3.34Å; Y277-T352 HydrophobicContact CE2-CG2 4.33Å; G348-T352 PolarHBondContact O-N 2.88Å; G348-T352 PolarHBondContact O-OG1 3.23Å; V349-T352 PolarHBondContact O-N 2.89Å |
| 353 | L | 98.4 | Very high | 98.7 | Very high | 5 Ų | 5 | 49.1 Ų | 49.1 | 3% | 0.026 | 26% | 0.26 | C | S | . | . | trans | -59.3 | 147.8 | 179.1 | 70.8 | 82.3 | 0 | 0 | 0 | 111.6 | R146 W169 L260 V271 L273 V349 I350 I355 | R146-L353 PolarHBondContact NH2-O 3.01Å; W169-L353 HydrophobicContact CZ2-CD1 4.31Å; L260-L353 HydrophobicContact CD1-CD2 4.22Å; L260-L353 HydrophobicContact CD2-CD2 3.93Å; V271-L353 HydrophobicContact CB-CD1 4.47Å; V271-L353 HydrophobicContact CG1-CD1 4.35Å; L273-L353 HydrophobicContact CD2-CB 4.21Å; V349-L353 WeakPolarHBondContact O-CB 3.46Å; V349-L353 PolarHBondContact O-N 3.39Å; I350-L353 HydrophobicContact CD1-CD2 3.67Å; I350-L353 HydrophobicContact CD1-CG 4.38Å; L353-I355 HydrophobicContact CD1-CG2 3.8Å | ||
| 354 | Q | 98.7 | Very high | 98.7 | Very high | 119 Ų | 119 | 49.7 Ų | 49.7 | 56% | 0.556 | 26% | 0.263 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106 | 145 | 173.4 | -64.4 | 178.1 | 28.6 | 0 | 0 | 108.9 | V271 Q272 | V271-Q354 CarbonylContact C-O 3.4Å; V271-Q354 VanDerWaalsContact CA-O 3.26Å; V271-Q354 WeakPolarHBondContact CA-O 3.16Å; Q272-Q354 PolarHBondContact N-O 3.12Å; Q272-Q354 PolarHBondContact O-N 3.49Å |
| 355 | I | 98.8 | Very high | 98.5 | Very high | 24 Ų | 24 | 45.6 Ų | 45.6 | 12% | 0.123 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 144.9 | 174.4 | 62.7 | 176.8 | 0 | 0 | 0 | 109.8 | E150 V153 W169 F270 V271 L353 Q357 M360 | E150-I355 HydrophobicContact CG-CD1 4.36Å; V153-I355 HydrophobicContact CB-CD1 4.37Å; V153-I355 HydrophobicContact CG1-CD1 4.13Å; V153-I355 HydrophobicContact CG2-CD1 3.8Å; W169-I355 HydrophobicContact CZ2-CG2 3.99Å; F270-I355 WeakPolarHBondContact O-CA 3.44Å; V271-I355 HydrophobicContact CG1-CG2 4.23Å; L353-I355 HydrophobicContact CD1-CG2 3.8Å; I355-Q357 HydrophobicContact CD1-CG 3.94Å; I355-Q357 HydrophobicContact CG1-CG 4.09Å; I355-M360 HydrophobicContact CB-CE 3.98Å; I355-M360 HydrophobicContact CB-SD 4.31Å; I355-M360 HydrophobicContact CG2-CE 3.97Å |
| 356 | H | 98.7 | Very high | 98.4 | Very high | 56 Ų | 56 | 44.5 Ų | 44.5 | 26% | 0.259 | 24% | 0.24 | S | C | . | . | trans | -102.7 | 82.8 | 173.8 | -61.6 | -59.2 | 0 | 0 | 0 | 108.9 | S269 F270 Q272 E358 N359 M360 | S269-H356 WeakPolarHBondContact O-CB 3.39Å; S269-H356 PolarHBondContact O-CD2 3.27Å; S269-H356 VanDerWaalsContact O-CD2 3.25Å; F270-H356 PolarHBondContact O-N 2.73Å; Q272-H356 WeakPolarHBondContact CB-NE2 3.23Å; H356-E358 PolarHBondContact O-N 2.68Å; H356-E358 VanDerWaalsContact O-N 3.17Å; H356-N359 HydrophobicContact CB-CB 3.94Å; H356-N359 WeakPolarHBondContact CB-ND2 3.46Å; H356-N359 PolarHBondContact O-N 2.86Å; H356-M360 PolarHBondContact O-N 3.28Å | ||
| 357 | Q | 98.6 | Very high | 98 | Very high | 122 Ų | 122 | 49 Ų | 49 | 57% | 0.57 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -54.8 | -37.1 | -175.2 | -61.5 | -174.8 | 37.2 | 0 | 0 | 112.5 | V153 I355 M360 G361 | V153-Q357 HydrophobicContact CG1-CG 4.04Å; V153-Q357 HydrophobicContact CG2-CG 3.88Å; I355-Q357 HydrophobicContact CD1-CG 3.94Å; I355-Q357 HydrophobicContact CG1-CG 4.09Å; Q357-M360 PolarHBondContact O-N 3.01Å; Q357-G361 PolarHBondContact O-N 2.71Å |
| 358 | E | 98.7 | Very high | 97.9 | Very high | 148 Ų | 148 | 48.3 Ų | 48.3 | 69% | 0.692 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -61.9 | -51.1 | 175.5 | -174.2 | 176.4 | -168.7 | 0 | 0 | 111.5 | H356 M360 G361 Q362 | H356-E358 PolarHBondContact O-N 2.68Å; H356-E358 VanDerWaalsContact O-N 3.17Å; E358-M360 VanDerWaalsContact C-N 3.31Å; E358-M360 PolarHBondContact O-N 3.5Å; E358-G361 PolarHBondContact O-N 3.09Å; E358-G361 VanDerWaalsContact O-N 3.16Å; E358-Q362 HydrophobicContact CG-CG 4.36Å; E358-Q362 WeakPolarHBondContact O-CB 3.27Å; E358-Q362 VanDerWaalsContact O-CG 3.29Å; E358-Q362 WeakPolarHBondContact O-CG 3.17Å; E358-Q362 PolarHBondContact O-N 2.74Å |
| 359 | N | 98.7 | Very high | 97.8 | Very high | 62 Ų | 62 | 48 Ų | 48 | 33% | 0.332 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.5 | -38.9 | 178.8 | -65 | -16.7 | 0 | 0 | 0 | 112.1 | S269 H356 Q362 A363 | S269-N359 VanDerWaalsContact O-CB 3.32Å; S269-N359 WeakPolarHBondContact O-CB 3.37Å; S269-N359 PolarHBondContact O-ND2 3.47Å; H356-N359 HydrophobicContact CB-CB 3.94Å; H356-N359 WeakPolarHBondContact CB-ND2 3.46Å; H356-N359 PolarHBondContact O-N 2.86Å; N359-Q362 PolarHBondContact O-N 3.01Å; N359-A363 PolarHBondContact O-N 3.36Å; N359-A363 VanDerWaalsContact O-N 3.09Å |
| 360 | M | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61 | -44.6 | 174.4 | -73.3 | -179.1 | 165 | 0 | 0 | 111.6 | V153 L154 F155 W169 F270 V271 I355 H356 Q357 E358 A363 | V153-M360 HydrophobicContact CG1-SD 3.7Å; L154-M360 WeakPolarHBondContact O-CB 3.41Å; F155-M360 HydrophobicContact CB-CB 3.71Å; F155-M360 HydrophobicContact CB-CG 3.9Å; F155-M360 HydrophobicContact CB-SD 4.11Å; W169-M360 HydrophobicContact CD2-CE 4.04Å; W169-M360 HydrophobicContact CE3-CE 3.77Å; W169-M360 HydrophobicContact CZ3-CE 4.07Å; F270-M360 HydrophobicContact CB-CE 3.82Å; F270-M360 HydrophobicContact CB-CG 3.88Å; F270-M360 HydrophobicContact CD1-CG 3.98Å; F270-M360 HydrophobicContact CG-CG 3.97Å; V271-M360 HydrophobicContact CG1-CE 4.04Å; I355-M360 HydrophobicContact CB-CE 3.98Å; I355-M360 HydrophobicContact CB-SD 4.31Å; I355-M360 HydrophobicContact CG2-CE 3.97Å; H356-M360 PolarHBondContact O-N 3.28Å; Q357-M360 PolarHBondContact O-N 3.01Å; E358-M360 VanDerWaalsContact C-N 3.31Å; E358-M360 PolarHBondContact O-N 3.5Å; M360-A363 PolarHBondContact O-N 3.16Å |
| 361 | G | 98.5 | Very high | 97.6 | Very high | 29 Ų | 29 | 51.7 Ų | 51.7 | 30% | 0.299 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -68.1 | -40.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q357 E358 A363 L364 | Q357-G361 PolarHBondContact O-N 2.71Å; E358-G361 PolarHBondContact O-N 3.09Å; E358-G361 VanDerWaalsContact O-N 3.16Å; G361-A363 PolarHBondContact O-N 3.02Å; G361-L364 VanDerWaalsContact O-CB 3.27Å; G361-L364 WeakPolarHBondContact O-CB 3.35Å; G361-L364 WeakPolarHBondContact O-CG 3.07Å; G361-L364 PolarHBondContact O-N 2.75Å |
| 362 | Q | 98.3 | Very high | 97.6 | Very high | 146 Ų | 146 | 48.3 Ų | 48.3 | 68% | 0.682 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -67.5 | -21.5 | 177.1 | -69.5 | -60.8 | -28.1 | 0 | 0 | 113 | E358 N359 L364 | E358-Q362 HydrophobicContact CG-CG 4.36Å; E358-Q362 WeakPolarHBondContact O-CB 3.27Å; E358-Q362 VanDerWaalsContact O-CG 3.29Å; E358-Q362 WeakPolarHBondContact O-CG 3.17Å; E358-Q362 PolarHBondContact O-N 2.74Å; N359-Q362 PolarHBondContact O-N 3.01Å; Q362-L364 PolarHBondContact O-N 3.47Å |
| 363 | A | 98.5 | Very high | 97.5 | Very high | 5 Ų | 5 | 45.7 Ų | 45.7 | 4% | 0.041 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -10.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | P156 R163 F270 N359 M360 G361 M368 | P156-A363 HydrophobicContact CG-CB 3.9Å; R163-A363 VanDerWaalsContact CZ-O 3.28Å; R163-A363 PolarHBondContact NE-O 2.94Å; R163-A363 PolarHBondContact NH1-O 2.77Å; F270-A363 HydrophobicContact CE1-CB 3.54Å; F270-A363 HydrophobicContact CZ-CB 3.59Å; N359-A363 PolarHBondContact O-N 3.36Å; N359-A363 VanDerWaalsContact O-N 3.09Å; M360-A363 PolarHBondContact O-N 3.16Å; G361-A363 PolarHBondContact O-N 3.02Å; A363-M368 WeakPolarHBondContact O-CE 3.22Å |
| 364 | L | 98.4 | Very high | 97.5 | Very high | 12 Ų | 12 | 45.5 Ų | 45.5 | 6% | 0.063 | 24% | 0.239 | C | C | . | . | trans | -78.5 | 128.4 | 170.7 | -55.6 | 178.4 | 0 | 0 | 0 | 109.7 | L154 P156 P166 G361 Q362 M368 Y430 | L154-L364 HydrophobicContact CB-CD1 4.07Å; P156-L364 HydrophobicContact CB-CD2 4.22Å; P166-L364 HydrophobicContact CB-CD1 4.34Å; P166-L364 HydrophobicContact CB-CD2 3.87Å; P166-L364 HydrophobicContact CG-CD2 4.14Å; G361-L364 VanDerWaalsContact O-CB 3.27Å; G361-L364 WeakPolarHBondContact O-CB 3.35Å; G361-L364 WeakPolarHBondContact O-CG 3.07Å; G361-L364 PolarHBondContact O-N 2.75Å; Q362-L364 PolarHBondContact O-N 3.47Å; L364-M368 HydrophobicContact CD2-SD 4.08Å; L364-Y430 VanDerWaalsContact C-OH 3.29Å; L364-Y430 HydrophobicContact CB-CD1 4.18Å; L364-Y430 HydrophobicContact CB-CD2 3.87Å; L364-Y430 HydrophobicContact CB-CE1 3.92Å; L364-Y430 HydrophobicContact CB-CE2 3.56Å; L364-Y430 HydrophobicContact CB-CG 4.17Å; L364-Y430 HydrophobicContact CD1-CD1 4.33Å; L364-Y430 HydrophobicContact CD1-CD2 3.65Å; L364-Y430 HydrophobicContact CD1-CE2 4.22Å; L364-Y430 HydrophobicContact CD1-CG 3.71Å; L364-Y430 HydrophobicContact CG-CD2 4.42Å; L364-Y430 PolarHBondContact O-OH 3.25Å; L364-Y430 VanDerWaalsContact O-OH 3.04Å | ||
| 365 | S | 95.8 | Very high | 97.5 | Very high | 23 Ų | 23 | 43.5 Ų | 43.5 | 16% | 0.161 | 23% | 0.227 | C | C | . | . | trans | -124 | 145.2 | -177.3 | 58.3 | 0 | 0 | 0 | 0 | 111.6 | D367 M368 Y430 | S365-D367 WeakPolarHBondContact CB-OD2 3.4Å; S365-D367 PolarHBondContact O-N 3.3Å; S365-D367 VanDerWaalsContact O-N 3.11Å; S365-D367 VanDerWaalsContact OG-CG 3.32Å; S365-D367 PolarHBondContact OG-OD1 2.9Å; S365-D367 PolarHBondContact OG-OD2 3Å; S365-M368 WeakPolarHBondContact O-CB 3.42Å; S365-M368 WeakPolarHBondContact O-CG 3.02Å; S365-M368 PolarHBondContact O-N 3.42Å; S365-Y430 WeakPolarHBondContact CA-OH 3.3Å; S365-Y430 PolarHBondContact N-OH 3.31Å | ||
| 366 | P | 95.3 | Very high | 97.5 | Very high | 26 Ų | 26 | 43.2 Ų | 43.2 | 17% | 0.169 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -59.9 | -23.4 | -175.2 | -28.9 | 37.3 | 0 | 0 | 0 | 115.1 | M368 L369 A404 L405 N406 Y430 | P366-M368 PolarHBondContact O-N 2.66Å; P366-L369 WeakPolarHBondContact O-CB 3.32Å; P366-L369 PolarHBondContact O-N 3.03Å; P366-L369 VanDerWaalsContact O-N 3.08Å; P366-A404 HydrophobicContact CB-CB 4.37Å; P366-A404 HydrophobicContact CG-CB 4.19Å; P366-L405 HydrophobicContact CB-CB 4.39Å; P366-N406 HydrophobicContact CB-CB 4.17Å; P366-N406 WeakPolarHBondContact CG-OD1 3.36Å; P366-Y430 WeakPolarHBondContact CD-OH 3.4Å |
| 367 | D | 92.1 | Very high | 97.5 | Very high | 94 Ų | 94 | 40.6 Ų | 40.6 | 50% | 0.503 | 21% | 0.212 | S | C | . | . | G | 310 helix | trans | -62.2 | -28.5 | 174.8 | 56.7 | 96.4 | 0 | 0 | 0 | 112.9 | S365 L369 A370 | S365-D367 WeakPolarHBondContact CB-OD2 3.4Å; S365-D367 PolarHBondContact O-N 3.3Å; S365-D367 VanDerWaalsContact O-N 3.11Å; S365-D367 VanDerWaalsContact OG-CG 3.32Å; S365-D367 PolarHBondContact OG-OD1 2.9Å; S365-D367 PolarHBondContact OG-OD2 3Å; D367-L369 PolarHBondContact O-N 3.01Å; D367-L369 VanDerWaalsContact O-N 3.16Å; D367-A370 VanDerWaalsContact O-CB 3.27Å; D367-A370 WeakPolarHBondContact O-CB 3.47Å; D367-A370 PolarHBondContact O-N 2.78Å; D367-A370 VanDerWaalsContact O-N 3.11Å |
| 368 | M | 95.9 | Very high | 97.5 | Very high | 6 Ų | 6 | 37.3 Ų | 37.3 | 3% | 0.03 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -60.1 | -26.6 | 173.5 | -61.8 | 176 | 179.1 | 0 | 0 | 112.3 | P156 R163 P166 A363 L364 S365 P366 A370 | P156-M368 HydrophobicContact CB-CE 3.77Å; R163-M368 HydrophobicContact CB-CE 3.49Å; R163-M368 VanDerWaalsContact CB-CE 3.49Å; R163-M368 HydrophobicContact CG-CE 3.65Å; P166-M368 HydrophobicContact CG-SD 4.34Å; A363-M368 WeakPolarHBondContact O-CE 3.22Å; L364-M368 HydrophobicContact CD2-SD 4.08Å; S365-M368 WeakPolarHBondContact O-CB 3.42Å; S365-M368 WeakPolarHBondContact O-CG 3.02Å; S365-M368 PolarHBondContact O-N 3.42Å; P366-M368 PolarHBondContact O-N 2.66Å; M368-A370 VanDerWaalsContact C-N 3.26Å; M368-A370 PolarHBondContact O-N 2.88Å |
| 369 | L | 97.7 | Very high | 97.5 | Very high | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -83.4 | 1.2 | -177.7 | -57.9 | 170 | 0 | 0 | 0 | 112.8 | P366 D367 T371 D372 L373 V427 W428 Y430 | P366-L369 WeakPolarHBondContact O-CB 3.32Å; P366-L369 PolarHBondContact O-N 3.03Å; P366-L369 VanDerWaalsContact O-N 3.08Å; D367-L369 PolarHBondContact O-N 3.01Å; D367-L369 VanDerWaalsContact O-N 3.16Å; L369-T371 PolarHBondContact O-N 3.03Å; L369-D372 HydrophobicContact CD2-CB 4.45Å; L369-D372 WeakPolarHBondContact O-CB 3.36Å; L369-D372 PolarHBondContact O-N 3.21Å; L369-D372 VanDerWaalsContact O-N 3.15Å; L369-L373 PolarHBondContact O-N 3.14Å; L369-V427 HydrophobicContact CB-CG1 4.34Å; L369-V427 WeakPolarHBondContact CD1-O 3.32Å; L369-W428 HydrophobicContact CB-CE3 4.34Å; L369-W428 HydrophobicContact CB-CZ3 4.32Å; L369-W428 HydrophobicContact CD1-CE3 4.18Å; L369-Y430 HydrophobicContact CD1-CD1 3.93Å; L369-Y430 HydrophobicContact CD1-CE1 3.64Å; L369-Y430 HydrophobicContact CD2-CD1 3.99Å; L369-Y430 HydrophobicContact CD2-CE1 4.32Å; L369-Y430 HydrophobicContact CG-CD1 4.14Å; L369-Y430 HydrophobicContact CG-CE1 3.96Å |
| 370 | A | 96.5 | Very high | 97.4 | Very high | 15 Ų | 15 | 38.1 Ų | 38.1 | 12% | 0.124 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58.7 | -36.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | D367 M368 L373 A374 S391 V395 L405 | D367-A370 VanDerWaalsContact O-CB 3.27Å; D367-A370 WeakPolarHBondContact O-CB 3.47Å; D367-A370 PolarHBondContact O-N 2.78Å; D367-A370 VanDerWaalsContact O-N 3.11Å; M368-A370 VanDerWaalsContact C-N 3.26Å; M368-A370 PolarHBondContact O-N 2.88Å; A370-L373 PolarHBondContact O-N 3.34Å; A370-A374 PolarHBondContact O-N 2.86Å; A370-S391 WeakPolarHBondContact O-CB 3.3Å; A370-S391 PolarHBondContact O-OG 3.29Å; A370-V395 HydrophobicContact CB-CG2 3.54Å; A370-L405 HydrophobicContact CB-CD2 3.82Å |
| 371 | T | 96.2 | Very high | 97.4 | Very high | 65 Ų | 65 | 41.3 Ų | 41.3 | 40% | 0.399 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -69.1 | -40.1 | 175.8 | -56.1 | 0 | 0 | 0 | 0 | 111.2 | L369 L373 A374 Y375 | L369-T371 PolarHBondContact O-N 3.03Å; T371-L373 VanDerWaalsContact C-N 3.29Å; T371-L373 PolarHBondContact O-N 2.8Å; T371-A374 WeakPolarHBondContact O-CB 3.11Å; T371-A374 PolarHBondContact O-N 3.44Å; T371-A374 VanDerWaalsContact O-N 3.12Å; T371-Y375 HydrophobicContact CG2-CD2 4.25Å; T371-Y375 HydrophobicContact CG2-CE2 3.66Å; T371-Y375 PolarHBondContact O-N 3.47Å |
| 372 | D | 97.9 | Very high | 97.4 | Very high | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.9 | -34.7 | 176.9 | -77 | 35.2 | 0 | 0 | 0 | 112.2 | L369 A374 Y375 Y376 V427 S433 Q436 | L369-D372 HydrophobicContact CD2-CB 4.45Å; L369-D372 WeakPolarHBondContact O-CB 3.36Å; L369-D372 PolarHBondContact O-N 3.21Å; L369-D372 VanDerWaalsContact O-N 3.15Å; D372-A374 VanDerWaalsContact C-N 3.31Å; D372-A374 PolarHBondContact O-N 3.12Å; D372-Y375 PolarHBondContact O-N 3.21Å; D372-Y376 PolarHBondContact O-N 2.99Å; D372-V427 HydrophobicContact CB-CG1 3.76Å; D372-S433 PolarHBondContact OD1-OG 2.87Å; D372-S433 WeakPolarHBondContact OD2-CA 3.43Å; D372-S433 WeakPolarHBondContact OD2-CB 3.48Å; D372-S433 PolarHBondContact OD2-OG 3.36Å; D372-Q436 PolarHBondContact OD2-NE2 3.23Å |
| 373 | L | 97.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.5 | -38.1 | 173.2 | -161.6 | 69.5 | 0 | 0 | 0 | 111.7 | L369 A370 T371 Y376 L377 A394 L413 F420 V424 V427 W428 | L369-L373 PolarHBondContact O-N 3.14Å; A370-L373 PolarHBondContact O-N 3.34Å; T371-L373 VanDerWaalsContact C-N 3.29Å; T371-L373 PolarHBondContact O-N 2.8Å; L373-Y376 WeakPolarHBondContact O-CB 3.36Å; L373-Y376 PolarHBondContact O-N 3.3Å; L373-L377 PolarHBondContact O-N 3.12Å; L373-A394 HydrophobicContact CD2-CB 3.65Å; L373-L413 HydrophobicContact CD2-CD2 4.31Å; L373-F420 HydrophobicContact CD1-CD1 4.4Å; L373-F420 HydrophobicContact CD1-CE1 3.47Å; L373-F420 VanDerWaalsContact CD1-CE1 3.47Å; L373-F420 HydrophobicContact CD1-CZ 4.02Å; L373-F420 HydrophobicContact CD2-CE1 4.32Å; L373-F420 HydrophobicContact CD2-CZ 4.01Å; L373-F420 HydrophobicContact CG-CE1 3.72Å; L373-F420 HydrophobicContact CG-CZ 3.79Å; L373-V424 HydrophobicContact CD1-CG2 3.53Å; L373-V427 HydrophobicContact CB-CG1 4.39Å; L373-V427 HydrophobicContact CD1-CG1 4.25Å; L373-W428 HydrophobicContact CD1-CH2 3.68Å; L373-W428 HydrophobicContact CD1-CZ2 4.27Å; L373-W428 HydrophobicContact CD1-CZ3 4.28Å; L373-W428 HydrophobicContact CD2-CH2 4.22Å; L373-W428 HydrophobicContact CG-CH2 4.47Å |
| 374 | A | 98.3 | Very high | 97.4 | Very high | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.008 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.1 | -45.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111 | A370 T371 D372 Y376 L377 V378 A387 | A370-A374 PolarHBondContact O-N 2.86Å; T371-A374 WeakPolarHBondContact O-CB 3.11Å; T371-A374 PolarHBondContact O-N 3.44Å; T371-A374 VanDerWaalsContact O-N 3.12Å; D372-A374 VanDerWaalsContact C-N 3.31Å; D372-A374 PolarHBondContact O-N 3.12Å; A374-Y376 VanDerWaalsContact C-N 3.29Å; A374-Y376 PolarHBondContact O-N 3.35Å; A374-L377 PolarHBondContact O-N 3.26Å; A374-L377 VanDerWaalsContact O-N 3.12Å; A374-V378 WeakPolarHBondContact O-CG2 3.33Å; A374-V378 PolarHBondContact O-N 3.5Å; A374-A387 HydrophobicContact CB-CB 4.23Å; A374-A387 WeakPolarHBondContact O-CB 3.42Å |
| 375 | Y | 98.3 | Very high | 97.3 | Very high | 78 Ų | 78 | 52.7 Ų | 52.7 | 31% | 0.306 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -63 | -34.3 | 177.8 | -66.2 | -36.1 | 0 | 0 | 0 | 113.3 | T371 D372 L377 V378 R379 F384 | T371-Y375 HydrophobicContact CG2-CD2 4.25Å; T371-Y375 HydrophobicContact CG2-CE2 3.66Å; T371-Y375 PolarHBondContact O-N 3.47Å; D372-Y375 PolarHBondContact O-N 3.21Å; Y375-L377 VanDerWaalsContact C-N 3.33Å; Y375-L377 PolarHBondContact O-N 3.5Å; Y375-V378 PolarHBondContact O-N 3.47Å; Y375-R379 WeakPolarHBondContact O-CG 3.47Å; Y375-R379 PolarHBondContact O-N 3.18Å; Y375-F384 HydrophobicContact CD1-CE2 4.37Å; Y375-F384 HydrophobicContact CE1-CD2 4.44Å; Y375-F384 AromaticContact CE1-CE2 3.93Å; Y375-F384 HydrophobicContact CE1-CE2 3.93Å |
| 376 | Y | 98.5 | Very high | 97.4 | Very high | 18 Ų | 18 | 56.8 Ų | 56.8 | 7% | 0.071 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -54.7 | -50 | 171 | 171.8 | -86.9 | 0 | 0 | 0 | 111.2 | D372 L373 A374 V378 R379 K380 F420 S421 D423 V424 V427 | D372-Y376 PolarHBondContact O-N 2.99Å; L373-Y376 WeakPolarHBondContact O-CB 3.36Å; L373-Y376 PolarHBondContact O-N 3.3Å; A374-Y376 VanDerWaalsContact C-N 3.29Å; A374-Y376 PolarHBondContact O-N 3.35Å; Y376-V378 PolarHBondContact O-N 2.95Å; Y376-R379 PolarHBondContact O-N 2.51Å; Y376-K380 HydrophobicContact CE1-CG 4.14Å; Y376-K380 VanDerWaalsContact CZ-CE 3.46Å; Y376-K380 WeakPolarHBondContact O-CG 3.43Å; Y376-K380 PolarHBondContact O-N 2.93Å; Y376-K380 WeakPolarHBondContact OH-CE 3.48Å; Y376-F420 AromaticContact CD1-CD1 3.87Å; Y376-F420 HydrophobicContact CD1-CD1 3.87Å; Y376-F420 AromaticContact CD1-CE1 3.9Å; Y376-F420 HydrophobicContact CD1-CE1 3.9Å; Y376-F420 AromaticContact CE1-CD1 3.65Å; Y376-F420 HydrophobicContact CE1-CD1 3.65Å; Y376-F420 HydrophobicContact CE1-CE1 4.17Å; Y376-S421 PolarHBondContact OH-N 3.35Å; Y376-S421 PolarHBondContact OH-OG 3.16Å; Y376-D423 PolarHBondContact OH-OD1 3.48Å; Y376-V424 HydrophobicContact CD1-CG2 4.43Å; Y376-V424 HydrophobicContact CE1-CB 4.44Å; Y376-V424 HydrophobicContact CE1-CG2 4.42Å; Y376-V424 HydrophobicContact CE2-CB 4.23Å; Y376-V427 HydrophobicContact CD2-CG2 4.15Å; Y376-V427 HydrophobicContact CG-CG2 4.28Å |
| 377 | L | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -66.5 | -37.3 | 178.9 | -66.9 | 175.7 | 0 | 0 | 0 | 112.4 | L373 A374 Y375 R379 K380 G381 M382 A387 A390 L419 F420 | L373-L377 PolarHBondContact O-N 3.12Å; A374-L377 PolarHBondContact O-N 3.26Å; A374-L377 VanDerWaalsContact O-N 3.12Å; Y375-L377 VanDerWaalsContact C-N 3.33Å; Y375-L377 PolarHBondContact O-N 3.5Å; L377-R379 VanDerWaalsContact C-N 3.31Å; L377-R379 PolarHBondContact O-N 3.41Å; L377-K380 CarbonylContact O-C 3.51Å; L377-K380 WeakPolarHBondContact O-CA 3.41Å; L377-K380 WeakPolarHBondContact O-CB 3.46Å; L377-K380 PolarHBondContact O-N 3.31Å; L377-G381 PolarHBondContact O-N 2.93Å; L377-M382 HydrophobicContact CB-CB 4.17Å; L377-M382 HydrophobicContact CB-SD 4.09Å; L377-M382 HydrophobicContact CD1-CE 4.33Å; L377-M382 HydrophobicContact CD1-SD 4.01Å; L377-M382 HydrophobicContact CD2-CE 4.41Å; L377-M382 VanDerWaalsContact O-CB 3.26Å; L377-M382 WeakPolarHBondContact O-CB 3.18Å; L377-M382 PolarHBondContact O-N 3.15Å; L377-M382 VanDerWaalsContact O-N 3.07Å; L377-A387 HydrophobicContact CB-CB 3.79Å; L377-A387 HydrophobicContact CD1-CB 4.41Å; L377-A390 HydrophobicContact CD1-CB 3.5Å; L377-A390 VanDerWaalsContact CD1-CB 3.5Å; L377-L419 HydrophobicContact CD2-CB 3.86Å; L377-F420 HydrophobicContact CD1-CE1 4.27Å; L377-F420 HydrophobicContact CD1-CE2 4.05Å; L377-F420 HydrophobicContact CD1-CZ 3.65Å; L377-F420 HydrophobicContact CD2-CD1 4.07Å; L377-F420 HydrophobicContact CD2-CD2 4.26Å; L377-F420 HydrophobicContact CD2-CE1 3.82Å; L377-F420 HydrophobicContact CD2-CE2 4.07Å; L377-F420 HydrophobicContact CD2-CG 4.3Å; L377-F420 HydrophobicContact CD2-CZ 3.85Å; L377-F420 HydrophobicContact CG-CE1 3.96Å; L377-F420 HydrophobicContact CG-CE2 4.44Å; L377-F420 HydrophobicContact CG-CZ 3.86Å |
| 378 | V | 98.6 | Very high | 97.8 | Very high | 54 Ų | 54 | 56.6 Ų | 56.6 | 33% | 0.327 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60.2 | -43.2 | 174.6 | 174.5 | 0 | 0 | 0 | 0 | 111.5 | A374 Y375 Y376 K380 G381 M382 F384 A387 | A374-V378 WeakPolarHBondContact O-CG2 3.33Å; A374-V378 PolarHBondContact O-N 3.5Å; Y375-V378 PolarHBondContact O-N 3.47Å; Y376-V378 PolarHBondContact O-N 2.95Å; V378-K380 PolarHBondContact O-N 2.6Å; V378-G381 PolarHBondContact O-N 3.44Å; V378-M382 WeakPolarHBondContact CA-O 3.47Å; V378-F384 HydrophobicContact CG2-CB 4.06Å; V378-F384 HydrophobicContact CG2-CD2 3.95Å; V378-A387 HydrophobicContact CG2-CB 3.65Å |
| 379 | R | 97.9 | Very high | 97.9 | Very high | 146 Ų | 146 | 61.5 Ų | 61.5 | 55% | 0.551 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -66 | -21.3 | 176.2 | -68 | 177.2 | -168.7 | 109.2 | 1.3 | 112.9 | Y375 Y376 L377 G381 | Y375-R379 WeakPolarHBondContact O-CG 3.47Å; Y375-R379 PolarHBondContact O-N 3.18Å; Y376-R379 PolarHBondContact O-N 2.51Å; L377-R379 VanDerWaalsContact C-N 3.31Å; L377-R379 PolarHBondContact O-N 3.41Å; R379-G381 VanDerWaalsContact C-N 3.26Å |
| 380 | K | 98 | Very high | 97.9 | Very high | 81 Ų | 81 | 61.8 Ų | 61.8 | 35% | 0.352 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | 6.1 | 170.7 | -60.8 | -78.8 | 179.4 | 169.7 | 0 | 113.3 | Y376 L377 V378 L419 S421 D423 | Y376-K380 HydrophobicContact CE1-CG 4.14Å; Y376-K380 VanDerWaalsContact CZ-CE 3.46Å; Y376-K380 WeakPolarHBondContact O-CG 3.43Å; Y376-K380 PolarHBondContact O-N 2.93Å; Y376-K380 WeakPolarHBondContact OH-CE 3.48Å; L377-K380 CarbonylContact O-C 3.51Å; L377-K380 WeakPolarHBondContact O-CA 3.41Å; L377-K380 WeakPolarHBondContact O-CB 3.46Å; L377-K380 PolarHBondContact O-N 3.31Å; V378-K380 PolarHBondContact O-N 2.6Å; K380-L419 HydrophobicContact CB-CB 4.25Å; K380-L419 HydrophobicContact CB-CD1 4.09Å; K380-L419 HydrophobicContact CB-CD2 4.47Å; K380-S421 PolarHBondContact NZ-OG 3Å; K380-S421 VanDerWaalsContact NZ-OG 3.14Å; K380-D423 IonicContact NZ-OD1 2.68Å; K380-D423 IonicContact NZ-OD2 3.4Å; K380-D423 PolarHBondContact NZ-OD2 2.86Å |
| 381 | G | 98 | Very high | 98 | Very high | 67 Ų | 67 | 61.4 Ų | 61.4 | 69% | 0.691 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 96 | 3.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115 | L377 V378 R379 | L377-G381 PolarHBondContact O-N 2.93Å; V378-G381 PolarHBondContact O-N 3.44Å; R379-G381 VanDerWaalsContact C-N 3.26Å |
| 382 | M | 98.3 | Very high | 98 | Very high | 28 Ų | 28 | 60.1 Ų | 60.1 | 14% | 0.138 | 30% | 0.299 | C | S | . | . | trans | -75.4 | 134.3 | 177.2 | -170.6 | 178 | -72.9 | 0 | 0 | 111.2 | L377 V378 F384 Q386 A387 S417 L419 | L377-M382 HydrophobicContact CB-CB 4.17Å; L377-M382 HydrophobicContact CB-SD 4.09Å; L377-M382 HydrophobicContact CD1-CE 4.33Å; L377-M382 HydrophobicContact CD1-SD 4.01Å; L377-M382 HydrophobicContact CD2-CE 4.41Å; L377-M382 VanDerWaalsContact O-CB 3.26Å; L377-M382 WeakPolarHBondContact O-CB 3.18Å; L377-M382 PolarHBondContact O-N 3.15Å; L377-M382 VanDerWaalsContact O-N 3.07Å; V378-M382 WeakPolarHBondContact CA-O 3.47Å; M382-F384 PolarHBondContact O-N 3.34Å; M382-Q386 HydrophobicContact CG-CB 3.71Å; M382-Q386 VanDerWaalsContact SD-C 3.5Å; M382-Q386 HydrophobicContact SD-CB 3.81Å; M382-A387 HydrophobicContact CB-CB 4.49Å; M382-A387 HydrophobicContact CG-CB 4.26Å; M382-A387 WeakPolarHBondContact SD-CA 3.26Å; M382-A387 HydrophobicContact SD-CB 3.98Å; M382-A387 PolarHBondContact SD-N 3.41Å; M382-S417 WeakPolarHBondContact CE-OG 3.31Å; M382-L419 HydrophobicContact CB-CD1 4.07Å; M382-L419 HydrophobicContact CE-CD1 3.89Å | ||
| 383 | P | 98.4 | Very high | 98 | Very high | 75 Ų | 75 | 65 Ų | 65 | 49% | 0.487 | 32% | 0.32 | S | S | . | . | trans | -56.1 | 138.6 | 169.6 | -26.3 | 34.4 | 0 | 0 | 0 | 112.5 | R385 Q386 A387 | P383-R385 VanDerWaalsContact C-N 3.31Å; P383-R385 PolarHBondContact O-N 3.13Å; P383-R385 VanDerWaalsContact O-N 3.15Å; P383-Q386 HydrophobicContact CB-CG 4.42Å; P383-Q386 WeakPolarHBondContact O-CB 3.23Å; P383-Q386 PolarHBondContact O-N 3.24Å; P383-A387 PolarHBondContact O-N 2.89Å | ||
| 384 | F | 98.3 | Very high | 98 | Very high | 103 Ų | 103 | 65 Ų | 65 | 45% | 0.452 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -54 | -40.5 | -173.5 | 177.3 | -107.3 | 0 | 0 | 0 | 114.3 | Y375 V378 M382 Q386 A387 H388 | Y375-F384 HydrophobicContact CD1-CE2 4.37Å; Y375-F384 HydrophobicContact CE1-CD2 4.44Å; Y375-F384 AromaticContact CE1-CE2 3.93Å; Y375-F384 HydrophobicContact CE1-CE2 3.93Å; V378-F384 HydrophobicContact CG2-CB 4.06Å; V378-F384 HydrophobicContact CG2-CD2 3.95Å; M382-F384 PolarHBondContact O-N 3.34Å; F384-Q386 VanDerWaalsContact C-N 3.29Å; F384-Q386 PolarHBondContact O-N 2.64Å; F384-A387 PolarHBondContact O-N 3.3Å; F384-H388 WeakPolarHBondContact O-CB 3.41Å; F384-H388 PolarHBondContact O-N 3.11Å |
| 385 | R | 97.3 | Very high | 97.9 | Very high | 224 Ų | 224 | 66.7 Ų | 66.7 | 85% | 0.845 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -60.8 | -38.9 | 177.4 | -74.2 | -172.9 | 178.9 | 172.9 | 0.2 | 112.5 | P383 E389 | P383-R385 VanDerWaalsContact C-N 3.31Å; P383-R385 PolarHBondContact O-N 3.13Å; P383-R385 VanDerWaalsContact O-N 3.15Å; R385-E389 PolarHBondContact O-N 3.33Å |
| 386 | Q | 98.3 | Very high | 97.8 | Very high | 110 Ų | 110 | 69.6 Ų | 69.6 | 51% | 0.514 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -72.1 | -39.6 | 176.9 | -63.8 | 177.7 | -0.2 | 0 | 0 | 110.8 | M382 P383 F384 E389 A390 | M382-Q386 HydrophobicContact CG-CB 3.71Å; M382-Q386 VanDerWaalsContact SD-C 3.5Å; M382-Q386 HydrophobicContact SD-CB 3.81Å; P383-Q386 HydrophobicContact CB-CG 4.42Å; P383-Q386 WeakPolarHBondContact O-CB 3.23Å; P383-Q386 PolarHBondContact O-N 3.24Å; F384-Q386 VanDerWaalsContact C-N 3.29Å; F384-Q386 PolarHBondContact O-N 2.64Å; Q386-E389 PolarHBondContact O-N 2.93Å; Q386-A390 WeakPolarHBondContact O-CB 3.45Å; Q386-A390 PolarHBondContact O-N 3.17Å |
| 387 | A | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -63.7 | -40.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | A374 L377 V378 M382 P383 F384 A390 S391 | A374-A387 HydrophobicContact CB-CB 4.23Å; A374-A387 WeakPolarHBondContact O-CB 3.42Å; L377-A387 HydrophobicContact CB-CB 3.79Å; L377-A387 HydrophobicContact CD1-CB 4.41Å; V378-A387 HydrophobicContact CG2-CB 3.65Å; M382-A387 HydrophobicContact CB-CB 4.49Å; M382-A387 HydrophobicContact CG-CB 4.26Å; M382-A387 WeakPolarHBondContact SD-CA 3.26Å; M382-A387 HydrophobicContact SD-CB 3.98Å; M382-A387 PolarHBondContact SD-N 3.41Å; P383-A387 PolarHBondContact O-N 2.89Å; F384-A387 PolarHBondContact O-N 3.3Å; A387-A390 PolarHBondContact O-N 3.12Å; A387-S391 PolarHBondContact O-N 2.94Å; A387-S391 PolarHBondContact O-OG 3.15Å |
| 388 | H | 97.8 | Very high | 97.7 | Very high | 115 Ų | 115 | 71 Ų | 71 | 53% | 0.532 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -65.7 | -40.6 | 173.9 | 179.9 | -74.8 | 0 | 0 | 0 | 111.9 | F384 A390 S391 G392 | F384-H388 WeakPolarHBondContact O-CB 3.41Å; F384-H388 PolarHBondContact O-N 3.11Å; H388-A390 VanDerWaalsContact C-N 3.33Å; H388-S391 PolarHBondContact O-N 3.07Å; H388-S391 PolarHBondContact O-OG 3.14Å; H388-G392 PolarHBondContact O-N 3.33Å |
| 389 | E | 97.7 | Very high | 97.5 | Very high | 109 Ų | 109 | 75.1 Ų | 75.1 | 51% | 0.509 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -63 | -41.7 | 173.1 | -168.3 | -168.7 | 148.3 | 0 | 0 | 111.3 | R385 Q386 G392 K393 | R385-E389 PolarHBondContact O-N 3.33Å; Q386-E389 PolarHBondContact O-N 2.93Å; E389-G392 PolarHBondContact O-N 3.29Å; E389-K393 WeakPolarHBondContact O-CG 3.14Å; E389-K393 PolarHBondContact O-N 3.33Å; E389-K393 VanDerWaalsContact OE1-CE 3.23Å; E389-K393 WeakPolarHBondContact OE1-CE 3.45Å; E389-K393 IonicContact OE1-NZ 2.69Å; E389-K393 PolarHBondContact OE1-NZ 3.45Å |
| 390 | A | 97.8 | Very high | 97.4 | Very high | 8 Ų | 8 | 72.9 Ų | 72.9 | 7% | 0.066 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -65.3 | -43 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L377 Q386 A387 H388 G392 K393 A394 I416 | L377-A390 HydrophobicContact CD1-CB 3.5Å; L377-A390 VanDerWaalsContact CD1-CB 3.5Å; Q386-A390 WeakPolarHBondContact O-CB 3.45Å; Q386-A390 PolarHBondContact O-N 3.17Å; A387-A390 PolarHBondContact O-N 3.12Å; H388-A390 VanDerWaalsContact C-N 3.33Å; A390-G392 VanDerWaalsContact C-N 3.33Å; A390-K393 WeakPolarHBondContact O-CB 3.27Å; A390-K393 PolarHBondContact O-N 3.49Å; A390-A394 PolarHBondContact O-N 2.99Å; A390-I416 HydrophobicContact CB-CG2 3.99Å; A390-I416 WeakPolarHBondContact O-CG2 3.4Å |
| 391 | S | 97.5 | Very high | 97.3 | Very high | 7 Ų | 7 | 74.3 Ų | 74.3 | 5% | 0.049 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -65.7 | -37.4 | 174.3 | 66.4 | 0 | 0 | 0 | 0 | 111.8 | A370 A387 H388 K393 A394 V395 | A370-S391 WeakPolarHBondContact O-CB 3.3Å; A370-S391 PolarHBondContact O-OG 3.29Å; A387-S391 PolarHBondContact O-N 2.94Å; A387-S391 PolarHBondContact O-OG 3.15Å; H388-S391 PolarHBondContact O-N 3.07Å; H388-S391 PolarHBondContact O-OG 3.14Å; S391-K393 VanDerWaalsContact C-N 3.35Å; S391-K393 PolarHBondContact O-N 3.36Å; S391-A394 WeakPolarHBondContact O-CB 3.45Å; S391-A394 PolarHBondContact O-N 3.36Å; S391-A394 VanDerWaalsContact O-N 3.1Å; S391-V395 WeakPolarHBondContact O-CG2 3.41Å; S391-V395 PolarHBondContact O-N 3.31Å |
| 392 | G | 96.5 | Very high | 97.2 | Very high | 37 Ų | 37 | 74.5 Ų | 74.5 | 38% | 0.381 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -59.3 | -42 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | H388 E389 A390 A394 V395 F396 | H388-G392 PolarHBondContact O-N 3.33Å; E389-G392 PolarHBondContact O-N 3.29Å; A390-G392 VanDerWaalsContact C-N 3.33Å; G392-A394 VanDerWaalsContact C-N 3.31Å; G392-A394 PolarHBondContact O-N 2.66Å; G392-V395 PolarHBondContact O-N 2.91Å; G392-F396 WeakPolarHBondContact O-CB 3.34Å; G392-F396 PolarHBondContact O-N 2.75Å |
| 393 | K | 97.8 | Very high | 97.2 | Very high | 103 Ų | 103 | 75.4 Ų | 75.4 | 45% | 0.448 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -63.1 | -36.4 | 172.8 | -72.9 | 171.4 | -174 | 166.4 | 0 | 112.2 | E389 A390 S391 M397 I416 | E389-K393 WeakPolarHBondContact O-CG 3.14Å; E389-K393 PolarHBondContact O-N 3.33Å; E389-K393 VanDerWaalsContact OE1-CE 3.23Å; E389-K393 WeakPolarHBondContact OE1-CE 3.45Å; E389-K393 IonicContact OE1-NZ 2.69Å; E389-K393 PolarHBondContact OE1-NZ 3.45Å; A390-K393 WeakPolarHBondContact O-CB 3.27Å; A390-K393 PolarHBondContact O-N 3.49Å; S391-K393 VanDerWaalsContact C-N 3.35Å; S391-K393 PolarHBondContact O-N 3.36Å; K393-M397 WeakPolarHBondContact O-CB 3.32Å; K393-M397 PolarHBondContact O-N 2.87Å; K393-I416 HydrophobicContact CB-CD1 4.43Å; K393-I416 HydrophobicContact CB-CG2 3.89Å; K393-I416 HydrophobicContact CD-CG2 4.36Å |
| 394 | A | 97.1 | Very high | 97 | Very high | 0 Ų | 0 | 73.5 Ų | 73.5 | 0% | 0 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -67.4 | -45.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | L373 A390 S391 G392 F396 M397 A398 L405 L408 L413 I416 | L373-A394 HydrophobicContact CD2-CB 3.65Å; A390-A394 PolarHBondContact O-N 2.99Å; S391-A394 WeakPolarHBondContact O-CB 3.45Å; S391-A394 PolarHBondContact O-N 3.36Å; S391-A394 VanDerWaalsContact O-N 3.1Å; G392-A394 VanDerWaalsContact C-N 3.31Å; G392-A394 PolarHBondContact O-N 2.66Å; A394-F396 PolarHBondContact O-N 3.38Å; A394-M397 PolarHBondContact O-N 2.86Å; A394-A398 PolarHBondContact O-N 3.22Å; A394-L405 HydrophobicContact CB-CD1 3.98Å; A394-L408 HydrophobicContact CB-CD1 4.15Å; A394-L408 WeakPolarHBondContact O-CD1 3.24Å; A394-L413 HydrophobicContact CB-CD2 4.26Å; A394-I416 VanDerWaalsContact CA-CD1 3.41Å; A394-I416 HydrophobicContact CB-CD1 3.65Å |
| 395 | V | 96.2 | Very high | 96.9 | Very high | 38 Ų | 38 | 69 Ų | 69 | 23% | 0.23 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -57.4 | -49.8 | 173.5 | 173.9 | 0 | 0 | 0 | 0 | 110.6 | A370 S391 G392 M397 A398 E399 L405 | A370-V395 HydrophobicContact CB-CG2 3.54Å; S391-V395 WeakPolarHBondContact O-CG2 3.41Å; S391-V395 PolarHBondContact O-N 3.31Å; G392-V395 PolarHBondContact O-N 2.91Å; V395-M397 VanDerWaalsContact C-N 3.31Å; V395-M397 PolarHBondContact O-N 3.49Å; V395-A398 PolarHBondContact O-N 3Å; V395-E399 HydrophobicContact CG1-CG 4.49Å; V395-E399 WeakPolarHBondContact O-CG 3.44Å; V395-E399 PolarHBondContact O-N 3.46Å; V395-L405 HydrophobicContact CG2-CD1 4.18Å; V395-L405 HydrophobicContact CG2-CD2 4.23Å |
| 396 | F | 96.6 | Very high | 96.9 | Very high | 138 Ų | 138 | 61.2 Ų | 61.2 | 61% | 0.605 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -58.9 | -40.3 | 178 | 179.6 | -98.2 | 0 | 0 | 0 | 112.9 | G392 A394 T400 | G392-F396 WeakPolarHBondContact O-CB 3.34Å; G392-F396 PolarHBondContact O-N 2.75Å; A394-F396 PolarHBondContact O-N 3.38Å; F396-T400 WeakPolarHBondContact O-CB 3.36Å; F396-T400 PolarHBondContact O-N 3.01Å; F396-T400 PolarHBondContact O-OG1 3.06Å |
| 397 | M | 97.6 | Very high | 96.8 | Very high | 46 Ų | 46 | 62 Ų | 62 | 23% | 0.227 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -64.9 | -44.4 | 176.7 | -177.4 | -179.7 | -68.7 | 0 | 0 | 111.8 | K393 A394 V395 T400 K401 L408 E412 I416 | K393-M397 WeakPolarHBondContact O-CB 3.32Å; K393-M397 PolarHBondContact O-N 2.87Å; A394-M397 PolarHBondContact O-N 2.86Å; V395-M397 VanDerWaalsContact C-N 3.31Å; V395-M397 PolarHBondContact O-N 3.49Å; M397-T400 PolarHBondContact O-N 3.26Å; M397-K401 HydrophobicContact CG-CD 4.17Å; M397-K401 WeakPolarHBondContact O-CB 3.33Å; M397-K401 WeakPolarHBondContact O-CG 3.4Å; M397-K401 PolarHBondContact O-N 2.99Å; M397-L408 HydrophobicContact CB-CD1 4.47Å; M397-L408 HydrophobicContact CG-CD2 4Å; M397-L408 HydrophobicContact SD-CD1 4.48Å; M397-L408 HydrophobicContact SD-CD2 4.13Å; M397-E412 HydrophobicContact SD-CB 3.93Å; M397-E412 HydrophobicContact SD-CG 4.49Å; M397-I416 HydrophobicContact CE-CD1 3.96Å; M397-I416 HydrophobicContact CE-CG1 3.83Å; M397-I416 HydrophobicContact SD-CD1 4.27Å |
| 398 | A | 96.9 | Very high | 96.8 | Very high | 3 Ų | 3 | 62.3 Ų | 62.3 | 3% | 0.025 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -62.3 | -46.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | A394 V395 K401 G402 V403 L405 L408 | A394-A398 PolarHBondContact O-N 3.22Å; V395-A398 PolarHBondContact O-N 3Å; A398-K401 CarbonylContact O-C 3.54Å; A398-K401 PolarHBondContact O-N 3.4Å; A398-G402 PolarHBondContact O-N 3.18Å; A398-V403 CarbonylContact C-O 3.59Å; A398-V403 HydrophobicContact CB-CG2 4.32Å; A398-V403 PolarHBondContact O-N 2.87Å; A398-L405 HydrophobicContact CB-CD1 4.35Å; A398-L408 HydrophobicContact CB-CD1 4.19Å; A398-L408 HydrophobicContact CB-CD2 4.24Å; A398-L408 HydrophobicContact CB-CG 4.18Å |
| 399 | E | 94.4 | Very high | 96.7 | Very high | 139 Ų | 139 | 59.2 Ų | 59.2 | 65% | 0.65 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -59 | -48.2 | 175.2 | -76.2 | -179.1 | 174 | 0 | 0 | 112.2 | V395 K401 G402 | V395-E399 HydrophobicContact CG1-CG 4.49Å; V395-E399 WeakPolarHBondContact O-CG 3.44Å; V395-E399 PolarHBondContact O-N 3.46Å; E399-K401 PolarHBondContact O-N 2.84Å; E399-G402 PolarHBondContact O-N 3.3Å |
| 400 | T | 96.6 | Very high | 96.7 | Very high | 99 Ų | 99 | 57.1 Ų | 57.1 | 61% | 0.607 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -61.5 | -33.8 | 179.8 | -58.8 | 0 | 0 | 0 | 0 | 111.9 | F396 M397 G402 | F396-T400 WeakPolarHBondContact O-CB 3.36Å; F396-T400 PolarHBondContact O-N 3.01Å; F396-T400 PolarHBondContact O-OG1 3.06Å; M397-T400 PolarHBondContact O-N 3.26Å; T400-G402 VanDerWaalsContact C-N 3.35Å |
| 401 | K | 96.7 | Very high | 96.7 | Very high | 111 Ų | 111 | 64 Ų | 64 | 48% | 0.483 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -82.1 | -11.3 | 176.2 | -73.4 | 175.9 | 68.9 | 91.5 | 0 | 113.5 | M397 A398 E399 V403 L408 E412 | M397-K401 HydrophobicContact CG-CD 4.17Å; M397-K401 WeakPolarHBondContact O-CB 3.33Å; M397-K401 WeakPolarHBondContact O-CG 3.4Å; M397-K401 PolarHBondContact O-N 2.99Å; A398-K401 CarbonylContact O-C 3.54Å; A398-K401 PolarHBondContact O-N 3.4Å; E399-K401 PolarHBondContact O-N 2.84Å; K401-V403 VanDerWaalsContact C-N 3.32Å; K401-V403 HydrophobicContact CB-CG1 4.31Å; K401-V403 HydrophobicContact CB-CG2 3.86Å; K401-L408 HydrophobicContact CD-CD2 4.1Å; K401-E412 WeakPolarHBondContact CE-OE1 3.37Å; K401-E412 IonicContact NZ-OE1 2.6Å; K401-E412 PolarHBondContact NZ-OE1 3.33Å |
| 402 | G | 95.5 | Very high | 96.7 | Very high | 71 Ų | 71 | 65.7 Ų | 65.7 | 73% | 0.732 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.6 | 33.2 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | A398 E399 T400 | A398-G402 PolarHBondContact O-N 3.18Å; E399-G402 PolarHBondContact O-N 3.3Å; T400-G402 VanDerWaalsContact C-N 3.35Å |
| 403 | V | 96.9 | Very high | 96.8 | Very high | 47 Ų | 47 | 64 Ų | 64 | 29% | 0.285 | 34% | 0.342 | S | S | . | . | trans | -120.7 | 160.7 | 179.5 | -58.9 | 0 | 0 | 0 | 0 | 110.8 | A398 K401 Q407 L408 | A398-V403 CarbonylContact C-O 3.59Å; A398-V403 HydrophobicContact CB-CG2 4.32Å; A398-V403 PolarHBondContact O-N 2.87Å; K401-V403 VanDerWaalsContact C-N 3.32Å; K401-V403 HydrophobicContact CB-CG1 4.31Å; K401-V403 HydrophobicContact CB-CG2 3.86Å; V403-Q407 HydrophobicContact CB-CB 4.09Å; V403-Q407 HydrophobicContact CG2-CB 4.35Å; V403-L408 HydrophobicContact CG2-CD2 4.23Å | ||
| 404 | A | 95.9 | Very high | 96.8 | Very high | 36 Ų | 36 | 63.3 Ų | 63.3 | 30% | 0.298 | 34% | 0.341 | S | S | . | . | trans | -71.3 | 154.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | P366 N406 Q407 | P366-A404 HydrophobicContact CB-CB 4.37Å; P366-A404 HydrophobicContact CG-CB 4.19Å; A404-N406 VanDerWaalsContact CB-OD1 3.27Å; A404-N406 WeakPolarHBondContact CB-OD1 3.49Å; A404-N406 PolarHBondContact O-N 3.39Å; A404-N406 VanDerWaalsContact O-N 3.17Å; A404-Q407 HydrophobicContact CB-CG 4.15Å; A404-Q407 WeakPolarHBondContact O-CB 3.24Å; A404-Q407 PolarHBondContact O-N 2.95Å | ||
| 405 | L | 96.3 | Very high | 96.8 | Very high | 8 Ų | 8 | 68.5 Ų | 68.5 | 4% | 0.042 | 37% | 0.372 | C | S | . | . | G | 310 helix | trans | -56 | -37 | -177.4 | -176.5 | 63.2 | 0 | 0 | 0 | 113 | P366 A370 A394 V395 A398 Q407 L408 W428 | P366-L405 HydrophobicContact CB-CB 4.39Å; A370-L405 HydrophobicContact CB-CD2 3.82Å; A394-L405 HydrophobicContact CB-CD1 3.98Å; V395-L405 HydrophobicContact CG2-CD1 4.18Å; V395-L405 HydrophobicContact CG2-CD2 4.23Å; A398-L405 HydrophobicContact CB-CD1 4.35Å; L405-Q407 PolarHBondContact O-N 3.44Å; L405-L408 HydrophobicContact CD1-CD1 4.17Å; L405-L408 PolarHBondContact O-N 2.91Å; L405-W428 HydrophobicContact CD2-CZ3 4.24Å; L405-W428 HydrophobicContact CG-CH2 4.02Å; L405-W428 HydrophobicContact CG-CZ3 4.08Å |
| 406 | N | 96.4 | Very high | 96.9 | Very high | 60 Ų | 60 | 68.3 Ų | 68.3 | 32% | 0.321 | 37% | 0.37 | S | S | . | . | G | 310 helix | trans | -76.7 | -1.9 | 178.1 | 67.6 | -25.6 | 0 | 0 | 0 | 114.5 | P366 A404 W428 | P366-N406 HydrophobicContact CB-CB 4.17Å; P366-N406 WeakPolarHBondContact CG-OD1 3.36Å; A404-N406 VanDerWaalsContact CB-OD1 3.27Å; A404-N406 WeakPolarHBondContact CB-OD1 3.49Å; A404-N406 PolarHBondContact O-N 3.39Å; A404-N406 VanDerWaalsContact O-N 3.17Å; N406-W428 HydrophobicContact CB-CB 4Å; N406-W428 HydrophobicContact CB-CD2 3.56Å; N406-W428 HydrophobicContact CB-CE3 3.84Å; N406-W428 HydrophobicContact CB-CG 3.62Å |
| 407 | Q | 97.2 | Very high | 97 | Very high | 126 Ų | 126 | 62 Ų | 62 | 59% | 0.589 | 34% | 0.343 | S | S | * | . | G | 310 helix | trans | -96.6 | -3.2 | 176.4 | -65.5 | 178.3 | -33.4 | 0 | 0 | 113 | V403 A404 L405 S409 | V403-Q407 HydrophobicContact CB-CB 4.09Å; V403-Q407 HydrophobicContact CG2-CB 4.35Å; A404-Q407 HydrophobicContact CB-CG 4.15Å; A404-Q407 WeakPolarHBondContact O-CB 3.24Å; A404-Q407 PolarHBondContact O-N 2.95Å; L405-Q407 PolarHBondContact O-N 3.44Å; Q407-S409 PolarHBondContact O-N 3.11Å |
| 408 | L | 97 | Very high | 97 | Very high | 8 Ų | 8 | 65.4 Ų | 65.4 | 4% | 0.042 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -66.3 | 127.9 | 169.4 | -64.5 | -178.6 | 0 | 0 | 0 | 109.9 | A394 M397 A398 K401 V403 L405 L413 | A394-L408 HydrophobicContact CB-CD1 4.15Å; A394-L408 WeakPolarHBondContact O-CD1 3.24Å; M397-L408 HydrophobicContact CB-CD1 4.47Å; M397-L408 HydrophobicContact CG-CD2 4Å; M397-L408 HydrophobicContact SD-CD1 4.48Å; M397-L408 HydrophobicContact SD-CD2 4.13Å; A398-L408 HydrophobicContact CB-CD1 4.19Å; A398-L408 HydrophobicContact CB-CD2 4.24Å; A398-L408 HydrophobicContact CB-CG 4.18Å; K401-L408 HydrophobicContact CD-CD2 4.1Å; V403-L408 HydrophobicContact CG2-CD2 4.23Å; L405-L408 HydrophobicContact CD1-CD1 4.17Å; L405-L408 PolarHBondContact O-N 2.91Å; L408-L413 HydrophobicContact CB-CD2 4.14Å; L408-L413 HydrophobicContact CB-CG 4.19Å; L408-L413 HydrophobicContact CD1-CD2 3.99Å |
| 409 | S | 96.9 | Very high | 97 | Very high | 49 Ų | 49 | 68.4 Ų | 68.4 | 34% | 0.343 | 38% | 0.383 | S | S | . | . | trans | -67.3 | 157 | 175.4 | 65.8 | 0 | 0 | 0 | 0 | 111.3 | Q407 Q411 E412 L413 | Q407-S409 PolarHBondContact O-N 3.11Å; S409-Q411 PolarHBondContact O-N 2.84Å; S409-E412 WeakPolarHBondContact CB-OE2 3.27Å; S409-E412 PolarHBondContact N-OE2 2.96Å; S409-E412 WeakPolarHBondContact O-CB 3.43Å; S409-E412 PolarHBondContact O-N 2.66Å; S409-E412 VanDerWaalsContact O-N 3.08Å; S409-E412 WeakPolarHBondContact OG-CB 3.41Å; S409-E412 VanDerWaalsContact OG-CD 3.26Å; S409-E412 WeakPolarHBondContact OG-CG 3.27Å; S409-E412 PolarHBondContact OG-N 3.4Å; S409-E412 PolarHBondContact OG-OE2 3.08Å; S409-L413 PolarHBondContact O-N 3.15Å | ||
| 410 | L | 97.4 | Very high | 97.2 | Very high | 66 Ų | 66 | 61.8 Ų | 61.8 | 35% | 0.346 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -56.4 | -38 | 174.6 | 178.1 | 61.8 | 0 | 0 | 0 | 111.8 | E412 L413 Q414 F420 S421 V424 | L410-E412 VanDerWaalsContact C-N 3.34Å; L410-E412 PolarHBondContact O-N 3.03Å; L410-L413 PolarHBondContact O-N 2.83Å; L410-Q414 HydrophobicContact CD1-CG 4.29Å; L410-Q414 HydrophobicContact CG-CG 4.43Å; L410-Q414 WeakPolarHBondContact O-CB 3.2Å; L410-Q414 VanDerWaalsContact O-CG 3.24Å; L410-Q414 WeakPolarHBondContact O-CG 3.35Å; L410-Q414 PolarHBondContact O-N 2.71Å; L410-F420 HydrophobicContact CD1-CB 4.32Å; L410-S421 WeakPolarHBondContact CD1-O 3.35Å; L410-V424 HydrophobicContact CD1-CG1 4.01Å |
| 411 | Q | 97.5 | Very high | 97.2 | Very high | 152 Ų | 152 | 59.1 Ų | 59.1 | 71% | 0.71 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -62.7 | -42.2 | 177.9 | -67.4 | 174.4 | -2.8 | 0 | 0 | 111.3 | S409 Q414 T415 | S409-Q411 PolarHBondContact O-N 2.84Å; Q411-Q414 WeakPolarHBondContact O-CB 3.29Å; Q411-Q414 PolarHBondContact O-N 3.33Å; Q411-T415 WeakPolarHBondContact O-CG2 3.46Å; Q411-T415 PolarHBondContact O-N 2.92Å; Q411-T415 VanDerWaalsContact O-N 3.13Å |
| 412 | E | 97.7 | Very high | 97.2 | Very high | 42 Ų | 42 | 55.8 Ų | 55.8 | 20% | 0.196 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -65.2 | -45.3 | 176 | -73.4 | 165.6 | 132.9 | 0 | 0 | 111.8 | M397 K401 S409 L410 Q414 T415 | M397-E412 HydrophobicContact SD-CB 3.93Å; M397-E412 HydrophobicContact SD-CG 4.49Å; K401-E412 WeakPolarHBondContact CE-OE1 3.37Å; K401-E412 IonicContact NZ-OE1 2.6Å; K401-E412 PolarHBondContact NZ-OE1 3.33Å; S409-E412 WeakPolarHBondContact CB-OE2 3.27Å; S409-E412 PolarHBondContact N-OE2 2.96Å; S409-E412 WeakPolarHBondContact O-CB 3.43Å; S409-E412 PolarHBondContact O-N 2.66Å; S409-E412 VanDerWaalsContact O-N 3.08Å; S409-E412 WeakPolarHBondContact OG-CB 3.41Å; S409-E412 VanDerWaalsContact OG-CD 3.26Å; S409-E412 WeakPolarHBondContact OG-CG 3.27Å; S409-E412 PolarHBondContact OG-N 3.4Å; S409-E412 PolarHBondContact OG-OE2 3.08Å; L410-E412 VanDerWaalsContact C-N 3.34Å; L410-E412 PolarHBondContact O-N 3.03Å; E412-Q414 VanDerWaalsContact C-N 3.25Å; E412-Q414 PolarHBondContact O-N 2.94Å; E412-T415 WeakPolarHBondContact O-CB 3.5Å; E412-T415 PolarHBondContact O-N 3.03Å; E412-T415 PolarHBondContact O-OG1 3.44Å |
| 413 | L | 97.9 | Very high | 97.2 | Very high | 1 Ų | 1 | 55.7 Ų | 55.7 | 1% | 0.005 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -58.9 | -40 | 173.8 | -66.9 | 172.2 | 0 | 0 | 0 | 111.2 | L373 A394 L408 S409 L410 T415 I416 S417 F420 V424 W428 | L373-L413 HydrophobicContact CD2-CD2 4.31Å; A394-L413 HydrophobicContact CB-CD2 4.26Å; L408-L413 HydrophobicContact CB-CD2 4.14Å; L408-L413 HydrophobicContact CB-CG 4.19Å; L408-L413 HydrophobicContact CD1-CD2 3.99Å; S409-L413 PolarHBondContact O-N 3.15Å; L410-L413 PolarHBondContact O-N 2.83Å; L413-T415 PolarHBondContact O-N 3.5Å; L413-I416 WeakPolarHBondContact O-CA 3.34Å; L413-I416 VanDerWaalsContact O-CB 3.31Å; L413-I416 WeakPolarHBondContact O-CB 3.5Å; L413-I416 PolarHBondContact O-N 3.27Å; L413-S417 PolarHBondContact O-N 3.07Å; L413-F420 HydrophobicContact CB-CB 4.01Å; L413-F420 HydrophobicContact CB-CD1 4.41Å; L413-F420 HydrophobicContact CB-CD2 3.81Å; L413-F420 HydrophobicContact CB-CE2 4.31Å; L413-F420 HydrophobicContact CB-CG 3.83Å; L413-F420 WeakPolarHBondContact O-CD2 3.45Å; L413-V424 HydrophobicContact CD1-CG1 3.84Å; L413-V424 HydrophobicContact CD1-CG2 4.16Å; L413-W428 HydrophobicContact CD1-CZ2 4.15Å |
| 414 | Q | 98 | Very high | 97.2 | Very high | 90 Ų | 90 | 53.6 Ų | 53.6 | 42% | 0.421 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.7 | -24.1 | 176.1 | -76 | 175.5 | -22.7 | 0 | 0 | 113.8 | L410 Q411 E412 I416 S417 F420 | L410-Q414 HydrophobicContact CD1-CG 4.29Å; L410-Q414 HydrophobicContact CG-CG 4.43Å; L410-Q414 WeakPolarHBondContact O-CB 3.2Å; L410-Q414 VanDerWaalsContact O-CG 3.24Å; L410-Q414 WeakPolarHBondContact O-CG 3.35Å; L410-Q414 PolarHBondContact O-N 2.71Å; Q411-Q414 WeakPolarHBondContact O-CB 3.29Å; Q411-Q414 PolarHBondContact O-N 3.33Å; E412-Q414 VanDerWaalsContact C-N 3.25Å; E412-Q414 PolarHBondContact O-N 2.94Å; Q414-I416 PolarHBondContact O-N 3.35Å; Q414-S417 WeakPolarHBondContact CA-O 3.49Å; Q414-S417 CarbonylContact O-C 3.55Å; Q414-F420 HydrophobicContact CG-CB 4.26Å; Q414-F420 WeakPolarHBondContact CG-O 3.11Å; Q414-F420 PolarHBondContact NE2-O 3.11Å |
| 415 | T | 98 | Very high | 97.2 | Very high | 108 Ų | 108 | 57.5 Ų | 57.5 | 66% | 0.663 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -68.6 | -21.7 | 169.8 | 73.7 | 0 | 0 | 0 | 0 | 112.9 | Q411 E412 L413 | Q411-T415 WeakPolarHBondContact O-CG2 3.46Å; Q411-T415 PolarHBondContact O-N 2.92Å; Q411-T415 VanDerWaalsContact O-N 3.13Å; E412-T415 WeakPolarHBondContact O-CB 3.5Å; E412-T415 PolarHBondContact O-N 3.03Å; E412-T415 PolarHBondContact O-OG1 3.44Å; L413-T415 PolarHBondContact O-N 3.5Å |
| 416 | I | 97.8 | Very high | 97.1 | Very high | 34 Ų | 34 | 60 Ų | 60 | 17% | 0.174 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -87.8 | -44.3 | 177 | -58 | 172.2 | 0 | 0 | 0 | 110.6 | A390 K393 A394 M397 L413 Q414 F420 | A390-I416 HydrophobicContact CB-CG2 3.99Å; A390-I416 WeakPolarHBondContact O-CG2 3.4Å; K393-I416 HydrophobicContact CB-CD1 4.43Å; K393-I416 HydrophobicContact CB-CG2 3.89Å; K393-I416 HydrophobicContact CD-CG2 4.36Å; A394-I416 VanDerWaalsContact CA-CD1 3.41Å; A394-I416 HydrophobicContact CB-CD1 3.65Å; M397-I416 HydrophobicContact CE-CD1 3.96Å; M397-I416 HydrophobicContact CE-CG1 3.83Å; M397-I416 HydrophobicContact SD-CD1 4.27Å; L413-I416 WeakPolarHBondContact O-CA 3.34Å; L413-I416 VanDerWaalsContact O-CB 3.31Å; L413-I416 WeakPolarHBondContact O-CB 3.5Å; L413-I416 PolarHBondContact O-N 3.27Å; Q414-I416 PolarHBondContact O-N 3.35Å; I416-F420 HydrophobicContact CB-CE2 4.45Å |
| 417 | S | 97.8 | Very high | 97.2 | Very high | 6 Ų | 6 | 57.2 Ų | 57.2 | 4% | 0.042 | 32% | 0.323 | C | S | . | . | trans | -153.3 | 133.3 | 177.9 | 175.3 | 0 | 0 | 0 | 0 | 111.9 | M382 L413 Q414 L419 F420 | M382-S417 WeakPolarHBondContact CE-OG 3.31Å; L413-S417 PolarHBondContact O-N 3.07Å; Q414-S417 WeakPolarHBondContact CA-O 3.49Å; Q414-S417 CarbonylContact O-C 3.55Å; S417-L419 PolarHBondContact O-N 3.1Å; S417-L419 VanDerWaalsContact O-N 3.14Å; S417-L419 PolarHBondContact OG-N 3.04Å; S417-F420 WeakPolarHBondContact O-CD2 3.31Å; S417-F420 PolarHBondContact O-N 3.02Å | ||
| 418 | P | 97.4 | Very high | 97.2 | Very high | 117 Ų | 117 | 53.3 Ų | 53.3 | 76% | 0.76 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -11.5 | 177 | 30.1 | -36.1 | 0 | 0 | 0 | 113.3 | F420 | P418-F420 PolarHBondContact O-N 2.92Š|
| 419 | L | 97.9 | Very high | 97.2 | Very high | 66 Ų | 66 | 57.2 Ų | 57.2 | 35% | 0.346 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -11.4 | 177.3 | -66.3 | -179.1 | 0 | 0 | 0 | 113.3 | L377 K380 M382 S417 S421 | L377-L419 HydrophobicContact CD2-CB 3.86Å; K380-L419 HydrophobicContact CB-CB 4.25Å; K380-L419 HydrophobicContact CB-CD1 4.09Å; K380-L419 HydrophobicContact CB-CD2 4.47Å; M382-L419 HydrophobicContact CB-CD1 4.07Å; M382-L419 HydrophobicContact CE-CD1 3.89Å; S417-L419 PolarHBondContact O-N 3.1Å; S417-L419 VanDerWaalsContact O-N 3.14Å; S417-L419 PolarHBondContact OG-N 3.04Å; L419-S421 PolarHBondContact O-N 2.99Å |
| 420 | F | 98 | Very high | 97.3 | Very high | 1 Ų | 1 | 57.3 Ų | 57.3 | 0% | 0.004 | 32% | 0.316 | C | S | . | . | trans | -71 | 116.5 | 172.1 | -72.6 | -63.7 | 0 | 0 | 0 | 111 | L373 Y376 L377 L410 L413 Q414 I416 S417 P418 V424 | L373-F420 HydrophobicContact CD1-CD1 4.4Å; L373-F420 HydrophobicContact CD1-CE1 3.47Å; L373-F420 VanDerWaalsContact CD1-CE1 3.47Å; L373-F420 HydrophobicContact CD1-CZ 4.02Å; L373-F420 HydrophobicContact CD2-CE1 4.32Å; L373-F420 HydrophobicContact CD2-CZ 4.01Å; L373-F420 HydrophobicContact CG-CE1 3.72Å; L373-F420 HydrophobicContact CG-CZ 3.79Å; Y376-F420 AromaticContact CD1-CD1 3.87Å; Y376-F420 HydrophobicContact CD1-CD1 3.87Å; Y376-F420 AromaticContact CD1-CE1 3.9Å; Y376-F420 HydrophobicContact CD1-CE1 3.9Å; Y376-F420 AromaticContact CE1-CD1 3.65Å; Y376-F420 HydrophobicContact CE1-CD1 3.65Å; Y376-F420 HydrophobicContact CE1-CE1 4.17Å; L377-F420 HydrophobicContact CD1-CE1 4.27Å; L377-F420 HydrophobicContact CD1-CE2 4.05Å; L377-F420 HydrophobicContact CD1-CZ 3.65Å; L377-F420 HydrophobicContact CD2-CD1 4.07Å; L377-F420 HydrophobicContact CD2-CD2 4.26Å; L377-F420 HydrophobicContact CD2-CE1 3.82Å; L377-F420 HydrophobicContact CD2-CE2 4.07Å; L377-F420 HydrophobicContact CD2-CG 4.3Å; L377-F420 HydrophobicContact CD2-CZ 3.85Å; L377-F420 HydrophobicContact CG-CE1 3.96Å; L377-F420 HydrophobicContact CG-CE2 4.44Å; L377-F420 HydrophobicContact CG-CZ 3.86Å; L410-F420 HydrophobicContact CD1-CB 4.32Å; L413-F420 HydrophobicContact CB-CB 4.01Å; L413-F420 HydrophobicContact CB-CD1 4.41Å; L413-F420 HydrophobicContact CB-CD2 3.81Å; L413-F420 HydrophobicContact CB-CE2 4.31Å; L413-F420 HydrophobicContact CB-CG 3.83Å; L413-F420 WeakPolarHBondContact O-CD2 3.45Å; Q414-F420 HydrophobicContact CG-CB 4.26Å; Q414-F420 WeakPolarHBondContact CG-O 3.11Å; Q414-F420 PolarHBondContact NE2-O 3.11Å; I416-F420 HydrophobicContact CB-CE2 4.45Å; S417-F420 WeakPolarHBondContact O-CD2 3.31Å; S417-F420 PolarHBondContact O-N 3.02Å; P418-F420 PolarHBondContact O-N 2.92Å; F420-V424 HydrophobicContact CD1-CB 4.27Å; F420-V424 HydrophobicContact CD1-CG2 3.67Å; F420-V424 HydrophobicContact CE1-CG2 3.95Å | ||
| 421 | S | 96.9 | Very high | 97.3 | Very high | 43 Ų | 43 | 55.1 Ų | 55.1 | 30% | 0.301 | 31% | 0.31 | S | S | . | . | trans | -117.2 | 174 | 172.9 | 51.4 | 0 | 0 | 0 | 0 | 111.6 | Y376 K380 L410 L419 D423 V424 | Y376-S421 PolarHBondContact OH-N 3.35Å; Y376-S421 PolarHBondContact OH-OG 3.16Å; K380-S421 PolarHBondContact NZ-OG 3Å; K380-S421 VanDerWaalsContact NZ-OG 3.14Å; L410-S421 WeakPolarHBondContact CD1-O 3.35Å; L419-S421 PolarHBondContact O-N 2.99Å; S421-D423 WeakPolarHBondContact CB-OD1 3.32Å; S421-D423 PolarHBondContact O-N 3.35Å; S421-D423 VanDerWaalsContact O-N 3.07Å; S421-D423 PolarHBondContact OG-OD1 3.08Å; S421-V424 WeakPolarHBondContact O-CB 3.38Å; S421-V424 VanDerWaalsContact O-CG1 3.24Å; S421-V424 WeakPolarHBondContact O-CG1 3.43Å; S421-V424 PolarHBondContact O-N 3.04Å | ||
| 422 | G | 95.8 | Very high | 97.3 | Very high | 41 Ų | 41 | 51.2 Ų | 51.2 | 42% | 0.423 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -60.1 | -20.2 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | V424 I425 | G422-V424 PolarHBondContact O-N 3.38Å; G422-I425 WeakPolarHBondContact O-CG1 3.05Å |
| 423 | D | 96.7 | Very high | 97.3 | Very high | 68 Ų | 68 | 49.2 Ų | 49.2 | 36% | 0.364 | 28% | 0.282 | S | S | . | . | G | 310 helix | trans | -68.8 | -9.6 | 172.1 | 61.8 | -26.1 | 0 | 0 | 0 | 113.8 | Y376 K380 S421 I425 C426 | Y376-D423 PolarHBondContact OH-OD1 3.48Å; K380-D423 IonicContact NZ-OD1 2.68Å; K380-D423 IonicContact NZ-OD2 3.4Å; K380-D423 PolarHBondContact NZ-OD2 2.86Å; S421-D423 WeakPolarHBondContact CB-OD1 3.32Å; S421-D423 PolarHBondContact O-N 3.35Å; S421-D423 VanDerWaalsContact O-N 3.07Å; S421-D423 PolarHBondContact OG-OD1 3.08Å; D423-I425 PolarHBondContact O-N 3.03Å; D423-I425 VanDerWaalsContact O-N 3.15Å; D423-C426 WeakPolarHBondContact O-CB 3Å; D423-C426 PolarHBondContact O-N 3.18Å; D423-C426 VanDerWaalsContact O-N 3.11Å |
| 424 | V | 96.2 | Very high | 97.4 | Very high | 3 Ų | 3 | 49.1 Ų | 49.1 | 2% | 0.018 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -59.7 | -23 | 173.5 | 74.5 | 0 | 0 | 0 | 0 | 112.3 | L373 Y376 L410 L413 F420 S421 G422 C426 V427 | L373-V424 HydrophobicContact CD1-CG2 3.53Å; Y376-V424 HydrophobicContact CD1-CG2 4.43Å; Y376-V424 HydrophobicContact CE1-CB 4.44Å; Y376-V424 HydrophobicContact CE1-CG2 4.42Å; Y376-V424 HydrophobicContact CE2-CB 4.23Å; L410-V424 HydrophobicContact CD1-CG1 4.01Å; L413-V424 HydrophobicContact CD1-CG1 3.84Å; L413-V424 HydrophobicContact CD1-CG2 4.16Å; F420-V424 HydrophobicContact CD1-CB 4.27Å; F420-V424 HydrophobicContact CD1-CG2 3.67Å; F420-V424 HydrophobicContact CE1-CG2 3.95Å; S421-V424 WeakPolarHBondContact O-CB 3.38Å; S421-V424 VanDerWaalsContact O-CG1 3.24Å; S421-V424 WeakPolarHBondContact O-CG1 3.43Å; S421-V424 PolarHBondContact O-N 3.04Å; G422-V424 PolarHBondContact O-N 3.38Å; V424-C426 PolarHBondContact O-N 3.47Å; V424-C426 VanDerWaalsContact O-N 3.12Å; V424-V427 HydrophobicContact CG2-CG2 4.27Å; V424-V427 VanDerWaalsContact O-CB 3.23Å; V424-V427 WeakPolarHBondContact O-CB 3.48Å; V424-V427 WeakPolarHBondContact O-CG2 3.5Å; V424-V427 PolarHBondContact O-N 3.41Å |
| 425 | I | 95.7 | Very high | 97.4 | Very high | 118 Ų | 118 | 48.7 Ų | 48.7 | 61% | 0.605 | 28% | 0.28 | S | S | * | . | G | 310 helix | trans | -58.6 | -25.7 | 175.9 | 67.4 | -179 | 0 | 0 | 0 | 112.9 | G422 D423 V427 W428 | G422-I425 WeakPolarHBondContact O-CG1 3.05Å; D423-I425 PolarHBondContact O-N 3.03Å; D423-I425 VanDerWaalsContact O-N 3.15Å; I425-V427 PolarHBondContact O-N 3.44Å; I425-W428 WeakPolarHBondContact O-CB 3.34Å; I425-W428 PolarHBondContact O-N 3.22Å |
| 426 | C | 95.6 | Very high | 97.4 | Very high | 61 Ų | 61 | 45.3 Ų | 45.3 | 41% | 0.412 | 26% | 0.256 | S | S | . | . | G | 310 helix | trans | -64.6 | -26.4 | 175.5 | -63.4 | 0 | 0 | 0 | 0 | 112.1 | D423 V424 W428 D429 H432 | D423-C426 WeakPolarHBondContact O-CB 3Å; D423-C426 PolarHBondContact O-N 3.18Å; D423-C426 VanDerWaalsContact O-N 3.11Å; V424-C426 PolarHBondContact O-N 3.47Å; V424-C426 VanDerWaalsContact O-N 3.12Å; C426-W428 PolarHBondContact O-N 3.06Å; C426-D429 PolarHBondContact O-N 3.21Å; C426-H432 VanDerWaalsContact O-CB 3.27Å; C426-H432 WeakPolarHBondContact O-CB 3.43Å; C426-H432 VanDerWaalsContact O-CG 3.23Å; C426-H432 PolarHBondContact O-ND1 2.97Å; C426-H432 VanDerWaalsContact O-ND1 3.14Å |
| 427 | V | 97.3 | Very high | 97.5 | Very high | 2 Ų | 2 | 46.1 Ų | 46.1 | 1% | 0.012 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -62.7 | -28.8 | 176.6 | 176.3 | 0 | 0 | 0 | 0 | 111.3 | L369 D372 L373 Y376 V424 I425 D429 | L369-V427 HydrophobicContact CB-CG1 4.34Å; L369-V427 WeakPolarHBondContact CD1-O 3.32Å; D372-V427 HydrophobicContact CB-CG1 3.76Å; L373-V427 HydrophobicContact CB-CG1 4.39Å; L373-V427 HydrophobicContact CD1-CG1 4.25Å; Y376-V427 HydrophobicContact CD2-CG2 4.15Å; Y376-V427 HydrophobicContact CG-CG2 4.28Å; V424-V427 HydrophobicContact CG2-CG2 4.27Å; V424-V427 VanDerWaalsContact O-CB 3.23Å; V424-V427 WeakPolarHBondContact O-CB 3.48Å; V424-V427 WeakPolarHBondContact O-CG2 3.5Å; V424-V427 PolarHBondContact O-N 3.41Å; I425-V427 PolarHBondContact O-N 3.44Å; V427-D429 PolarHBondContact O-N 2.68Å |
| 428 | W | 97 | Very high | 97.5 | Very high | 43 Ų | 43 | 47.7 Ų | 47.7 | 16% | 0.163 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -76.8 | -6.2 | -176.9 | -50.8 | 148 | 0 | 0 | 0 | 114.8 | L369 L373 L405 N406 L413 I425 C426 | L369-W428 HydrophobicContact CB-CE3 4.34Å; L369-W428 HydrophobicContact CB-CZ3 4.32Å; L369-W428 HydrophobicContact CD1-CE3 4.18Å; L373-W428 HydrophobicContact CD1-CH2 3.68Å; L373-W428 HydrophobicContact CD1-CZ2 4.27Å; L373-W428 HydrophobicContact CD1-CZ3 4.28Å; L373-W428 HydrophobicContact CD2-CH2 4.22Å; L373-W428 HydrophobicContact CG-CH2 4.47Å; L405-W428 HydrophobicContact CD2-CZ3 4.24Å; L405-W428 HydrophobicContact CG-CH2 4.02Å; L405-W428 HydrophobicContact CG-CZ3 4.08Å; N406-W428 HydrophobicContact CB-CB 4Å; N406-W428 HydrophobicContact CB-CD2 3.56Å; N406-W428 HydrophobicContact CB-CE3 3.84Å; N406-W428 HydrophobicContact CB-CG 3.62Å; L413-W428 HydrophobicContact CD1-CZ2 4.15Å; I425-W428 WeakPolarHBondContact O-CB 3.34Å; I425-W428 PolarHBondContact O-N 3.22Å; C426-W428 PolarHBondContact O-N 3.06Å |
| 429 | D | 97.5 | Very high | 97.6 | Very high | 90 Ų | 90 | 45.9 Ų | 45.9 | 48% | 0.481 | 27% | 0.27 | S | S | . | . | trans | -92.7 | 120 | 173.4 | 174.5 | 27.7 | 0 | 0 | 0 | 110.9 | C426 V427 G431 H432 S433 | C426-D429 PolarHBondContact O-N 3.21Å; V427-D429 PolarHBondContact O-N 2.68Å; D429-G431 PolarHBondContact O-N 3.32Å; D429-G431 PolarHBondContact OD1-N 3.47Å; D429-H432 HydrophobicContact CB-CB 4Å; D429-H432 WeakPolarHBondContact O-CB 3.49Å; D429-H432 PolarHBondContact O-N 3.16Å; D429-H432 PolarHBondContact OD2-N 2.94Å; D429-S433 PolarHBondContact O-N 3.47Å | ||
| 430 | Y | 98.4 | Very high | 97.6 | Very high | 51 Ų | 51 | 48.6 Ų | 48.6 | 20% | 0.2 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.3 | -28.5 | 174.3 | -55.6 | -55.4 | 0 | 0 | 0 | 112.4 | P166 L364 S365 P366 L369 S433 V434 | P166-Y430 HydrophobicContact CG-CD1 3.71Å; P166-Y430 HydrophobicContact CG-CE1 4.49Å; P166-Y430 HydrophobicContact CG-CG 4.37Å; L364-Y430 VanDerWaalsContact C-OH 3.29Å; L364-Y430 HydrophobicContact CB-CD1 4.18Å; L364-Y430 HydrophobicContact CB-CD2 3.87Å; L364-Y430 HydrophobicContact CB-CE1 3.92Å; L364-Y430 HydrophobicContact CB-CE2 3.56Å; L364-Y430 HydrophobicContact CB-CG 4.17Å; L364-Y430 HydrophobicContact CD1-CD1 4.33Å; L364-Y430 HydrophobicContact CD1-CD2 3.65Å; L364-Y430 HydrophobicContact CD1-CE2 4.22Å; L364-Y430 HydrophobicContact CD1-CG 3.71Å; L364-Y430 HydrophobicContact CG-CD2 4.42Å; L364-Y430 PolarHBondContact O-OH 3.25Å; L364-Y430 VanDerWaalsContact O-OH 3.04Å; S365-Y430 WeakPolarHBondContact CA-OH 3.3Å; S365-Y430 PolarHBondContact N-OH 3.31Å; P366-Y430 WeakPolarHBondContact CD-OH 3.4Å; L369-Y430 HydrophobicContact CD1-CD1 3.93Å; L369-Y430 HydrophobicContact CD1-CE1 3.64Å; L369-Y430 HydrophobicContact CD2-CD1 3.99Å; L369-Y430 HydrophobicContact CD2-CE1 4.32Å; L369-Y430 HydrophobicContact CG-CD1 4.14Å; L369-Y430 HydrophobicContact CG-CE1 3.96Å; Y430-S433 WeakPolarHBondContact O-CB 3.35Å; Y430-S433 PolarHBondContact O-N 3.09Å; Y430-V434 PolarHBondContact O-N 3.22Å |
| 431 | G | 97.8 | Very high | 97.6 | Very high | 20 Ų | 20 | 50.4 Ų | 50.4 | 21% | 0.206 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.2 | -50.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | D429 S433 V434 E435 | D429-G431 PolarHBondContact O-N 3.32Å; D429-G431 PolarHBondContact OD1-N 3.47Å; G431-S433 VanDerWaalsContact C-N 3.27Å; G431-S433 PolarHBondContact O-N 3.46Å; G431-V434 WeakPolarHBondContact O-CG2 3.35Å; G431-V434 PolarHBondContact O-N 2.91Å; G431-E435 WeakPolarHBondContact O-CG 3.45Å; G431-E435 PolarHBondContact O-N 3.13Å |
| 432 | H | 98.1 | Very high | 97.7 | Very high | 70 Ų | 70 | 49.1 Ų | 49.1 | 32% | 0.324 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -58 | -38.2 | 172.1 | 175.3 | -91.4 | 0 | 0 | 0 | 112.6 | C426 D429 E435 Q436 | C426-H432 VanDerWaalsContact O-CB 3.27Å; C426-H432 WeakPolarHBondContact O-CB 3.43Å; C426-H432 VanDerWaalsContact O-CG 3.23Å; C426-H432 PolarHBondContact O-ND1 2.97Å; C426-H432 VanDerWaalsContact O-ND1 3.14Å; D429-H432 HydrophobicContact CB-CB 4Å; D429-H432 WeakPolarHBondContact O-CB 3.49Å; D429-H432 PolarHBondContact O-N 3.16Å; D429-H432 PolarHBondContact OD2-N 2.94Å; H432-E435 PolarHBondContact O-N 3.43Å; H432-Q436 PolarHBondContact CE1-NE2 3.38Å; H432-Q436 PolarHBondContact O-N 3.17Å |
| 433 | S | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -57.3 | -53.5 | 177.8 | -174.9 | 0 | 0 | 0 | 0 | 112.4 | D372 D429 Y430 G431 E435 Q436 Y437 | D372-S433 PolarHBondContact OD1-OG 2.87Å; D372-S433 WeakPolarHBondContact OD2-CA 3.43Å; D372-S433 WeakPolarHBondContact OD2-CB 3.48Å; D372-S433 PolarHBondContact OD2-OG 3.36Å; D429-S433 PolarHBondContact O-N 3.47Å; Y430-S433 WeakPolarHBondContact O-CB 3.35Å; Y430-S433 PolarHBondContact O-N 3.09Å; G431-S433 VanDerWaalsContact C-N 3.27Å; G431-S433 PolarHBondContact O-N 3.46Å; S433-E435 VanDerWaalsContact C-N 3.26Å; S433-E435 PolarHBondContact O-N 3.16Å; S433-Q436 WeakPolarHBondContact O-CB 3.35Å; S433-Q436 PolarHBondContact O-N 3.25Å; S433-Y437 WeakPolarHBondContact O-CD2 3.39Å; S433-Y437 WeakPolarHBondContact O-CE2 3.47Å |
| 434 | V | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66.3 | -27.7 | -178.5 | -62.6 | 0 | 0 | 0 | 0 | 113.1 | L154 P166 Y430 G431 Q436 Y437 T443 A444 | L154-V434 HydrophobicContact CD1-CG2 4.4Å; L154-V434 HydrophobicContact CD2-CG1 4.09Å; L154-V434 HydrophobicContact CD2-CG2 3.91Å; P166-V434 HydrophobicContact CB-CG1 4.02Å; P166-V434 WeakPolarHBondContact O-CG1 3.31Å; Y430-V434 PolarHBondContact O-N 3.22Å; G431-V434 WeakPolarHBondContact O-CG2 3.35Å; G431-V434 PolarHBondContact O-N 2.91Å; V434-Q436 VanDerWaalsContact C-N 3.27Å; V434-Q436 PolarHBondContact O-N 2.82Å; V434-Y437 PolarHBondContact O-N 3.22Å; V434-T443 HydrophobicContact CB-CG2 3.96Å; V434-T443 HydrophobicContact CG1-CG2 4.16Å; V434-A444 VanDerWaalsContact O-CA 3.22Å; V434-A444 WeakPolarHBondContact O-CA 3.41Å; V434-A444 PolarHBondContact O-N 3.46Å |
| 435 | E | 98.7 | Very high | 98.1 | Very high | 80 Ų | 80 | 48.7 Ų | 48.7 | 37% | 0.374 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -73.1 | -15.1 | 178.7 | -70.6 | -52.4 | 118.2 | 0 | 0 | 113.9 | R168 G431 H432 S433 Y437 R445 | R168-E435 IonicContact CZ-OE1 3.73Å; R168-E435 IonicContact NE-OE1 2.64Å; R168-E435 IonicContact NH2-OE1 2.77Å; R168-E435 PolarHBondContact NH2-OE1 3.04Å; G431-E435 WeakPolarHBondContact O-CG 3.45Å; G431-E435 PolarHBondContact O-N 3.13Å; H432-E435 PolarHBondContact O-N 3.43Å; S433-E435 VanDerWaalsContact C-N 3.26Å; S433-E435 PolarHBondContact O-N 3.16Å; E435-Y437 PolarHBondContact O-N 2.68Å; E435-R445 WeakPolarHBondContact OE1-CB 3.4Å; E435-R445 PolarHBondContact OE1-N 3.29Å |
| 436 | Q | 98.5 | Very high | 98.2 | Very high | 38 Ų | 38 | 46.4 Ų | 46.4 | 18% | 0.178 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -25.6 | 174 | -65.4 | 178.6 | 39.7 | 0 | 0 | 112.6 | D372 H432 S433 V434 G438 | D372-Q436 PolarHBondContact OD2-NE2 3.23Å; H432-Q436 PolarHBondContact CE1-NE2 3.38Å; H432-Q436 PolarHBondContact O-N 3.17Å; S433-Q436 WeakPolarHBondContact O-CB 3.35Å; S433-Q436 PolarHBondContact O-N 3.25Å; V434-Q436 VanDerWaalsContact C-N 3.27Å; V434-Q436 PolarHBondContact O-N 2.82Å; Q436-G438 PolarHBondContact O-N 2.86Å |
| 437 | Y | 98.6 | Very high | 98.3 | Very high | 50 Ų | 50 | 43.5 Ų | 43.5 | 20% | 0.196 | 25% | 0.252 | C | S | . | . | trans | -87.5 | 49.9 | -174.9 | -56.3 | -83.9 | 0 | 0 | 0 | 112.1 | Q165 S433 V434 E435 A439 G442 T443 A444 | Q165-Y437 PolarHBondContact OE1-OH 2.77Å; S433-Y437 WeakPolarHBondContact O-CD2 3.39Å; S433-Y437 WeakPolarHBondContact O-CE2 3.47Å; V434-Y437 PolarHBondContact O-N 3.22Å; E435-Y437 PolarHBondContact O-N 2.68Å; Y437-A439 VanDerWaalsContact C-N 3.32Å; Y437-A439 PolarHBondContact O-N 2.61Å; Y437-G442 CarbonylContact O-C 3.58Å; Y437-G442 WeakPolarHBondContact O-CA 3.5Å; Y437-T443 HydrophobicContact CD2-CG2 3.64Å; Y437-T443 HydrophobicContact CE2-CG2 4.45Å; Y437-T443 HydrophobicContact CG-CG2 3.99Å; Y437-A444 VanDerWaalsContact C-CB 3.5Å; Y437-A444 VanDerWaalsContact O-CB 3.29Å; Y437-A444 WeakPolarHBondContact O-CB 3.48Å; Y437-A444 PolarHBondContact O-N 3.13Å | ||
| 438 | G | 98.3 | Very high | 98.4 | Very high | 39 Ų | 39 | 43.4 Ų | 43.4 | 40% | 0.402 | 25% | 0.251 | S | S | . | . | trans | -76.9 | -10.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q436 | Q436-G438 PolarHBondContact O-N 2.86Š| ||
| 439 | A | 98.5 | Very high | 98.5 | Very high | 79 Ų | 79 | 43 Ų | 43 | 65% | 0.653 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -62.9 | 145.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y437 G441 G442 | Y437-A439 VanDerWaalsContact C-N 3.32Å; Y437-A439 PolarHBondContact O-N 2.61Å; A439-G441 PolarHBondContact O-N 2.96Å; A439-G442 PolarHBondContact O-N 3.26Å |
| 440 | L | 98.6 | Very high | 98.6 | Very high | 124 Ų | 124 | 42.5 Ų | 42.5 | 65% | 0.649 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | 127.4 | -176.5 | -62.6 | -177.9 | 0 | 0 | 0 | 111.3 | W450 | L440-W450 HydrophobicContact CB-CE3 4.32Å; L440-W450 HydrophobicContact CB-CH2 4.27Å; L440-W450 HydrophobicContact CB-CZ3 4.17Å; L440-W450 HydrophobicContact CD1-CZ2 4.06Å; L440-W450 HydrophobicContact CD2-CB 4.43Å; L440-W450 HydrophobicContact CD2-CD2 3.73Å; L440-W450 HydrophobicContact CD2-CE3 4.13Å; L440-W450 HydrophobicContact CD2-CG 3.84Å |
| 441 | G | 98.3 | Very high | 98.6 | Very high | 38 Ų | 38 | 41 Ų | 41 | 39% | 0.392 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 94 | -6.4 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | H171 A439 S447 | H171-G441 PolarHBondContact CE1-O 3.46Å; A439-G441 PolarHBondContact O-N 2.96Å; G441-S447 PolarHBondContact N-OG 2.87Å; G441-S447 VanDerWaalsContact N-OG 3.1Å |
| 442 | G | 98.7 | Very high | 98.7 | Very high | 17 Ų | 17 | 40.3 Ų | 40.3 | 18% | 0.175 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -76.3 | 177.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y437 A439 S447 Q451 | Y437-G442 CarbonylContact O-C 3.58Å; Y437-G442 WeakPolarHBondContact O-CA 3.5Å; A439-G442 PolarHBondContact O-N 3.26Å; G442-S447 PolarHBondContact N-OG 3.24Å; G442-S447 WeakPolarHBondContact O-CB 3.45Å; G442-S447 PolarHBondContact O-OG 2.95Å; G442-Q451 PolarHBondContact O-NE2 2.61Å; G442-Q451 VanDerWaalsContact O-NE2 3.13Å |
| 443 | T | 98.8 | Very high | 98.7 | Very high | 4 Ų | 4 | 43.8 Ų | 43.8 | 3% | 0.025 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -90.5 | 1.7 | -176.2 | -169.2 | 0 | 0 | 0 | 0 | 114.9 | I167 R168 V434 Y437 | I167-T443 HydrophobicContact CG2-CG2 4.41Å; R168-T443 WeakPolarHBondContact CD-O 3.27Å; R168-T443 WeakPolarHBondContact CG-O 2.99Å; R168-T443 PolarHBondContact N-OG1 3.39Å; R168-T443 PolarHBondContact NE-O 2.95Å; V434-T443 HydrophobicContact CB-CG2 3.96Å; V434-T443 HydrophobicContact CG1-CG2 4.16Å; Y437-T443 HydrophobicContact CD2-CG2 3.64Å; Y437-T443 HydrophobicContact CE2-CG2 4.45Å; Y437-T443 HydrophobicContact CG-CG2 3.99Å |
| 444 | A | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -62.9 | 151.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | V434 Y437 S446 S447 V448 | V434-A444 VanDerWaalsContact O-CA 3.22Å; V434-A444 WeakPolarHBondContact O-CA 3.41Å; V434-A444 PolarHBondContact O-N 3.46Å; Y437-A444 VanDerWaalsContact C-CB 3.5Å; Y437-A444 VanDerWaalsContact O-CB 3.29Å; Y437-A444 WeakPolarHBondContact O-CB 3.48Å; Y437-A444 PolarHBondContact O-N 3.13Å; A444-S446 VanDerWaalsContact C-N 3.27Å; A444-S446 PolarHBondContact O-N 2.92Å; A444-S447 WeakPolarHBondContact O-CB 3.38Å; A444-S447 PolarHBondContact O-N 3.34Å; A444-V448 PolarHBondContact O-N 3.47Å |
| 445 | R | 98.8 | Very high | 98.7 | Very high | 99 Ų | 99 | 48.2 Ų | 48.2 | 37% | 0.374 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -54.4 | -44.9 | -176.5 | -172.9 | 172.3 | 176.7 | 144.1 | 2.9 | 112.2 | D152 E435 S447 V448 D449 | D152-R445 IonicContact OD1-CZ 2.8Å; D152-R445 IonicContact OD1-NE 3.37Å; D152-R445 IonicContact OD1-NH1 3.44Å; D152-R445 PolarHBondContact OD1-NH1 3.03Å; D152-R445 IonicContact OD2-CZ 3.45Å; D152-R445 IonicContact OD2-NH1 2.62Å; D152-R445 PolarHBondContact OD2-NH1 3.41Å; D152-R445 IonicContact OD2-NH2 3.5Å; E435-R445 WeakPolarHBondContact OE1-CB 3.4Å; E435-R445 PolarHBondContact OE1-N 3.29Å; R445-S447 VanDerWaalsContact C-N 3.31Å; R445-S447 PolarHBondContact O-N 3.28Å; R445-V448 PolarHBondContact O-N 2.93Å; R445-D449 VanDerWaalsContact O-CG 3.31Å; R445-D449 PolarHBondContact O-N 3.18Å |
| 446 | S | 98.6 | Very high | 98.7 | Very high | 69 Ų | 69 | 48.5 Ų | 48.5 | 48% | 0.483 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61.3 | -36.7 | 178.9 | 57.7 | 0 | 0 | 0 | 0 | 113.2 | A444 W450 | A444-S446 VanDerWaalsContact C-N 3.27Å; A444-S446 PolarHBondContact O-N 2.92Å; S446-W450 PolarHBondContact O-N 2.61Å |
| 447 | S | 98.8 | Very high | 98.7 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.007 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -73.4 | -38.7 | 175.9 | 174 | 0 | 0 | 0 | 0 | 111.8 | G441 G442 A444 R445 D449 W450 Q451 | G441-S447 PolarHBondContact N-OG 2.87Å; G441-S447 VanDerWaalsContact N-OG 3.1Å; G442-S447 PolarHBondContact N-OG 3.24Å; G442-S447 WeakPolarHBondContact O-CB 3.45Å; G442-S447 PolarHBondContact O-OG 2.95Å; A444-S447 WeakPolarHBondContact O-CB 3.38Å; A444-S447 PolarHBondContact O-N 3.34Å; R445-S447 VanDerWaalsContact C-N 3.31Å; R445-S447 PolarHBondContact O-N 3.28Å; S447-D449 VanDerWaalsContact C-N 3.35Å; S447-W450 WeakPolarHBondContact O-CB 3.45Å; S447-W450 PolarHBondContact O-N 3.24Å; S447-Q451 WeakPolarHBondContact O-CG 3.32Å; S447-Q451 PolarHBondContact O-N 3.24Å; S447-Q451 PolarHBondContact O-NE2 3.11Å; S447-Q451 PolarHBondContact OG-NE2 3.35Å |
| 448 | V | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.7 | -42.8 | 173.5 | 172.2 | 0 | 0 | 0 | 0 | 110.7 | R151 H171 L174 A444 R445 W450 Q451 I452 | R151-V448 HydrophobicContact CG-CG1 4.03Å; H171-V448 HydrophobicContact CB-CG2 4.24Å; L174-V448 HydrophobicContact CD1-CG1 3.81Å; A444-V448 PolarHBondContact O-N 3.47Å; R445-V448 PolarHBondContact O-N 2.93Å; V448-W450 VanDerWaalsContact C-N 3.31Å; V448-W450 PolarHBondContact O-N 3.37Å; V448-Q451 PolarHBondContact O-N 3.48Å; V448-I452 HydrophobicContact CG1-CD1 4.03Å; V448-I452 WeakPolarHBondContact O-CG1 3.29Å; V448-I452 PolarHBondContact O-N 2.93Å |
| 449 | D | 98.8 | Very high | 98.6 | Very high | 33 Ų | 33 | 49.5 Ų | 49.5 | 18% | 0.176 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.5 | -39.2 | 174.4 | -70.4 | -21.9 | 0 | 0 | 0 | 112.2 | R151 R445 S447 R453 | R151-D449 WeakPolarHBondContact CD-OD1 3.49Å; R151-D449 IonicContact CZ-OD1 2.68Å; R151-D449 IonicContact NE-OD1 3.51Å; R151-D449 IonicContact NH1-OD1 3.52Å; R151-D449 PolarHBondContact NH1-OD1 3.33Å; R151-D449 IonicContact NH1-OD2 2.93Å; R445-D449 VanDerWaalsContact O-CG 3.31Å; R445-D449 PolarHBondContact O-N 3.18Å; S447-D449 VanDerWaalsContact C-N 3.35Å; D449-R453 WeakPolarHBondContact O-CG 3.22Å; D449-R453 PolarHBondContact O-N 3.27Å; D449-R453 PolarHBondContact O-NH1 2.83Å |
| 450 | W | 98.9 | Very high | 98.6 | Very high | 81 Ų | 81 | 52.7 Ų | 52.7 | 31% | 0.307 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -63.4 | -46.7 | 173.2 | 173.7 | 85.1 | 0 | 0 | 0 | 111.6 | L440 S446 S447 V448 I452 R453 Q454 | L440-W450 HydrophobicContact CB-CE3 4.32Å; L440-W450 HydrophobicContact CB-CH2 4.27Å; L440-W450 HydrophobicContact CB-CZ3 4.17Å; L440-W450 HydrophobicContact CD1-CZ2 4.06Å; L440-W450 HydrophobicContact CD2-CB 4.43Å; L440-W450 HydrophobicContact CD2-CD2 3.73Å; L440-W450 HydrophobicContact CD2-CE3 4.13Å; L440-W450 HydrophobicContact CD2-CG 3.84Å; S446-W450 PolarHBondContact O-N 2.61Å; S447-W450 WeakPolarHBondContact O-CB 3.45Å; S447-W450 PolarHBondContact O-N 3.24Å; V448-W450 VanDerWaalsContact C-N 3.31Å; V448-W450 PolarHBondContact O-N 3.37Å; W450-I452 PolarHBondContact O-N 3.49Å; W450-R453 PolarHBondContact O-N 2.98Å; W450-Q454 HydrophobicContact CD2-CG 3.88Å; W450-Q454 VanDerWaalsContact CE2-CG 3.46Å; W450-Q454 HydrophobicContact CE3-CG 4.35Å; W450-Q454 HydrophobicContact CG-CG 4.42Å; W450-Q454 HydrophobicContact CH2-CG 4.06Å; W450-Q454 HydrophobicContact CZ2-CG 3.57Å; W450-Q454 HydrophobicContact CZ3-CG 4.42Å; W450-Q454 WeakPolarHBondContact O-CG 3.47Å; W450-Q454 PolarHBondContact O-N 3.08Å |
| 451 | Q | 98.9 | Very high | 98.5 | Very high | 20 Ų | 20 | 50.2 Ų | 50.2 | 9% | 0.093 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -58.7 | -44.7 | 177.9 | -73.6 | 170.3 | 70.7 | 0 | 0 | 112 | H171 L174 G442 S447 V448 R453 Q454 V455 | H171-Q451 PolarHBondContact ND1-OE1 3.42Å; L174-Q451 HydrophobicContact CD1-CB 3.95Å; G442-Q451 PolarHBondContact O-NE2 2.61Å; G442-Q451 VanDerWaalsContact O-NE2 3.13Å; S447-Q451 WeakPolarHBondContact O-CG 3.32Å; S447-Q451 PolarHBondContact O-N 3.24Å; S447-Q451 PolarHBondContact O-NE2 3.11Å; S447-Q451 PolarHBondContact OG-NE2 3.35Å; V448-Q451 PolarHBondContact O-N 3.48Å; Q451-R453 VanDerWaalsContact C-N 3.34Å; Q451-R453 PolarHBondContact O-N 3.32Å; Q451-Q454 PolarHBondContact O-N 2.77Å; Q451-V455 WeakPolarHBondContact O-CG2 3.37Å; Q451-V455 PolarHBondContact O-N 3.06Å |
| 452 | I | 98.9 | Very high | 98.3 | Very high | 4 Ų | 4 | 49.5 Ų | 49.5 | 2% | 0.021 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -56.2 | -49.2 | 176.2 | -71 | 161.7 | 0 | 0 | 0 | 110.4 | V144 E148 R151 L174 V448 W450 Q454 V455 R456 | V144-I452 HydrophobicContact CG1-CB 4.49Å; V144-I452 HydrophobicContact CG1-CG2 3.86Å; E148-I452 HydrophobicContact CB-CD1 3.92Å; E148-I452 HydrophobicContact CG-CD1 4.31Å; R151-I452 HydrophobicContact CG-CD1 4.23Å; L174-I452 HydrophobicContact CD1-CG1 3.96Å; L174-I452 HydrophobicContact CD2-CG1 4.13Å; V448-I452 HydrophobicContact CG1-CD1 4.03Å; V448-I452 WeakPolarHBondContact O-CG1 3.29Å; V448-I452 PolarHBondContact O-N 2.93Å; W450-I452 PolarHBondContact O-N 3.49Å; I452-Q454 PolarHBondContact O-N 3.31Å; I452-V455 PolarHBondContact O-N 2.89Å; I452-R456 WeakPolarHBondContact O-CB 3.44Å; I452-R456 WeakPolarHBondContact O-CG 3.35Å; I452-R456 PolarHBondContact O-N 3.49Å |
| 453 | R | 98.8 | Very high | 97.8 | Very high | 143 Ų | 143 | 54.6 Ų | 54.6 | 54% | 0.54 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -61.4 | -42.4 | 177.9 | -71.5 | -171.3 | -62 | -85.4 | 1.2 | 112.3 | D449 W450 Q451 R456 A457 | D449-R453 WeakPolarHBondContact O-CG 3.22Å; D449-R453 PolarHBondContact O-N 3.27Å; D449-R453 PolarHBondContact O-NH1 2.83Å; W450-R453 PolarHBondContact O-N 2.98Å; Q451-R453 VanDerWaalsContact C-N 3.34Å; Q451-R453 PolarHBondContact O-N 3.32Å; R453-R456 PolarHBondContact O-N 2.78Å; R453-A457 WeakPolarHBondContact O-CB 3.33Å; R453-A457 PolarHBondContact O-N 2.7Å |
| 454 | Q | 98.8 | Very high | 96.5 | Very high | 90 Ų | 90 | 61.3 Ų | 61.3 | 42% | 0.421 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -62.5 | -46.1 | 178.4 | -69 | -57.6 | 108.2 | 0 | 0 | 111.9 | W450 Q451 I452 A457 L458 | W450-Q454 HydrophobicContact CD2-CG 3.88Å; W450-Q454 VanDerWaalsContact CE2-CG 3.46Å; W450-Q454 HydrophobicContact CE3-CG 4.35Å; W450-Q454 HydrophobicContact CG-CG 4.42Å; W450-Q454 HydrophobicContact CH2-CG 4.06Å; W450-Q454 HydrophobicContact CZ2-CG 3.57Å; W450-Q454 HydrophobicContact CZ3-CG 4.42Å; W450-Q454 WeakPolarHBondContact O-CG 3.47Å; W450-Q454 PolarHBondContact O-N 3.08Å; Q451-Q454 PolarHBondContact O-N 2.77Å; I452-Q454 PolarHBondContact O-N 3.31Å; Q454-A457 PolarHBondContact O-N 2.8Å; Q454-L458 WeakPolarHBondContact O-CG 3.5Å; Q454-L458 PolarHBondContact O-N 3.42Å |
| 455 | V | 98.7 | Very high | 96.4 | Very high | 4 Ų | 4 | 64.4 Ų | 64.4 | 2% | 0.024 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -66.5 | -40.7 | 179.2 | 177.3 | 0 | 0 | 0 | 0 | 111.1 | I140 V144 V178 T181 Q451 I452 A457 L458 L459 | I140-V455 HydrophobicContact CG2-CG1 3.86Å; V144-V455 HydrophobicContact CG2-CB 4.11Å; V144-V455 HydrophobicContact CG2-CG1 3.5Å; V144-V455 VanDerWaalsContact CG2-CG1 3.5Å; V178-V455 HydrophobicContact CG2-CG2 3.82Å; T181-V455 HydrophobicContact CG2-CG1 3.82Å; Q451-V455 WeakPolarHBondContact O-CG2 3.37Å; Q451-V455 PolarHBondContact O-N 3.06Å; I452-V455 PolarHBondContact O-N 2.89Å; V455-A457 VanDerWaalsContact C-N 3.32Å; V455-A457 PolarHBondContact O-N 2.98Å; V455-L458 PolarHBondContact O-N 3.17Å; V455-L459 WeakPolarHBondContact O-CG 3.41Å; V455-L459 PolarHBondContact O-N 3.11Å |
| 456 | R | 98.6 | Very high | 96.2 | Very high | 86 Ų | 86 | 62.5 Ų | 62.5 | 33% | 0.325 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -59.2 | -42.8 | 173.8 | -72.5 | -173.9 | -174.5 | -68.7 | 2.7 | 111.8 | V144 D145 E148 I452 R453 L459 Q460 | V144-R456 HydrophobicContact CG1-CG 4.01Å; D145-R456 IonicContact OD1-CZ 3.06Å; D145-R456 IonicContact OD1-NH1 3.54Å; D145-R456 PolarHBondContact OD1-NH1 3.06Å; D145-R456 IonicContact OD1-NH2 2.76Å; D145-R456 PolarHBondContact OD1-NH2 3.44Å; E148-R456 IonicContact OE2-CZ 3.68Å; E148-R456 IonicContact OE2-NE 3.68Å; E148-R456 IonicContact OE2-NH2 3.53Å; E148-R456 PolarHBondContact OE2-NH2 2.93Å; I452-R456 WeakPolarHBondContact O-CB 3.44Å; I452-R456 WeakPolarHBondContact O-CG 3.35Å; I452-R456 PolarHBondContact O-N 3.49Å; R453-R456 PolarHBondContact O-N 2.78Å; R456-L459 PolarHBondContact O-N 3.3Å; R456-Q460 PolarHBondContact O-N 3.48Å |
| 457 | A | 98.5 | Very high | 96.1 | Very high | 48 Ų | 48 | 62.2 Ų | 62.2 | 40% | 0.397 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -65.4 | -39.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | R453 Q454 V455 Q460 A461 | R453-A457 WeakPolarHBondContact O-CB 3.33Å; R453-A457 PolarHBondContact O-N 2.7Å; Q454-A457 PolarHBondContact O-N 2.8Å; V455-A457 VanDerWaalsContact C-N 3.32Å; V455-A457 PolarHBondContact O-N 2.98Å; A457-Q460 PolarHBondContact O-N 2.78Å; A457-A461 WeakPolarHBondContact O-CB 3.35Å; A457-A461 PolarHBondContact O-N 2.6Å |
| 458 | L | 98.4 | Very high | 95.9 | Very high | 85 Ų | 85 | 65.8 Ų | 65.8 | 45% | 0.445 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61.6 | -46.8 | 174.6 | -72.9 | 172.9 | 0 | 0 | 0 | 111.7 | Q454 V455 Q460 A461 Q462 | Q454-L458 WeakPolarHBondContact O-CG 3.5Å; Q454-L458 PolarHBondContact O-N 3.42Å; V455-L458 PolarHBondContact O-N 3.17Å; L458-Q460 VanDerWaalsContact C-N 3.31Å; L458-Q460 PolarHBondContact O-N 2.9Å; L458-A461 PolarHBondContact O-N 3.02Å; L458-Q462 WeakPolarHBondContact O-CB 3.03Å; L458-Q462 VanDerWaalsContact O-CG 3.31Å; L458-Q462 WeakPolarHBondContact O-CG 3.21Å; L458-Q462 PolarHBondContact O-N 3.01Å |
| 459 | L | 96.8 | Very high | 95.7 | Very high | 14 Ų | 14 | 69.9 Ų | 69.9 | 7% | 0.073 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -60.5 | -41.9 | 176.5 | -71.7 | 178 | 0 | 0 | 0 | 111.8 | W137 I140 R141 V455 R456 Q462 Q463 | W137-L459 HydrophobicContact CB-CD2 4.42Å; W137-L459 VanDerWaalsContact CD1-CD2 3.48Å; W137-L459 HydrophobicContact CG-CD2 4.19Å; I140-L459 HydrophobicContact CB-CD1 4.34Å; I140-L459 HydrophobicContact CB-CD2 4.19Å; I140-L459 HydrophobicContact CD1-CD2 4.13Å; I140-L459 HydrophobicContact CG2-CD1 3.86Å; I140-L459 HydrophobicContact CG2-CD2 4.01Å; I140-L459 HydrophobicContact CG2-CG 4.21Å; R141-L459 HydrophobicContact CB-CD1 4.29Å; V455-L459 WeakPolarHBondContact O-CG 3.41Å; V455-L459 PolarHBondContact O-N 3.11Å; R456-L459 PolarHBondContact O-N 3.3Å; L459-Q462 PolarHBondContact O-N 3.24Å; L459-Q463 WeakPolarHBondContact O-CG 3.44Å; L459-Q463 PolarHBondContact O-N 2.98Å |
| 460 | Q | 97.2 | Very high | 95.5 | Very high | 147 Ų | 147 | 72.3 Ų | 72.3 | 69% | 0.687 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -63.1 | -43.8 | 177 | -174.3 | 179.3 | 7.4 | 0 | 0 | 111.8 | R456 A457 L458 Q462 Q463 | R456-Q460 PolarHBondContact O-N 3.48Å; A457-Q460 PolarHBondContact O-N 2.78Å; L458-Q460 VanDerWaalsContact C-N 3.31Å; L458-Q460 PolarHBondContact O-N 2.9Å; Q460-Q462 VanDerWaalsContact C-N 3.26Å; Q460-Q462 PolarHBondContact O-N 3.28Å; Q460-Q463 PolarHBondContact O-N 3.32Å |
| 461 | A | 97.5 | Very high | 95.3 | Very high | 71 Ų | 71 | 71.7 Ų | 71.7 | 59% | 0.587 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -65.3 | -30 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | A457 L458 | A457-A461 WeakPolarHBondContact O-CB 3.35Å; A457-A461 PolarHBondContact O-N 2.6Å; L458-A461 PolarHBondContact O-N 3.02Å |
| 462 | Q | 94.9 | Very high | 95 | Very high | 24 Ų | 24 | 75.7 Ų | 75.7 | 11% | 0.112 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -79.2 | -16.4 | 179 | -76.2 | -178.8 | -3.3 | 0 | 0 | 114.3 | W137 S184 L188 L458 L459 Q460 | W137-Q462 HydrophobicContact CZ2-CB 4.01Å; W137-Q462 VanDerWaalsContact CZ2-O 3.3Å; W137-Q462 WeakPolarHBondContact CZ2-O 3.48Å; W137-Q462 VanDerWaalsContact NE1-OE1 3.09Å; S184-Q462 PolarHBondContact OG-OE1 3.25Å; L188-Q462 HydrophobicContact CD1-CB 3.74Å; L188-Q462 HydrophobicContact CD1-CG 3.6Å; L458-Q462 WeakPolarHBondContact O-CB 3.03Å; L458-Q462 VanDerWaalsContact O-CG 3.31Å; L458-Q462 WeakPolarHBondContact O-CG 3.21Å; L458-Q462 PolarHBondContact O-N 3.01Å; L459-Q462 PolarHBondContact O-N 3.24Å; Q460-Q462 VanDerWaalsContact C-N 3.26Å; Q460-Q462 PolarHBondContact O-N 3.28Å |
| 463 | Q | 86.5 | Confident | 94.7 | Very high | 124 Ų | 124 | 81.7 Ų | 81.7 | 58% | 0.579 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | -11.5 | 177.4 | -72.4 | 176.6 | 7.7 | 0 | 0 | 113.5 | W137 L459 Q460 | W137-Q463 HydrophobicContact CD2-CG 4.48Å; W137-Q463 HydrophobicContact CE3-CG 4.21Å; W137-Q463 HydrophobicContact CH2-CG 4.35Å; W137-Q463 HydrophobicContact CZ3-CG 4.15Å; L459-Q463 WeakPolarHBondContact O-CG 3.44Å; L459-Q463 PolarHBondContact O-N 2.98Å; Q460-Q463 PolarHBondContact O-N 3.32Å |
| 464 | A | 71.8 | Confident | 94.3 | Very high | 144 Ų | 144 | 76.1 Ų | 76.1 | 100% | 1.19 | 44% | 0.44 | S | S | * | . | trans | -82.7 | 0 | 172 | 0 | 0 | 0 | 0 | 0 | 110.7 |
Retrieved 464 of 464 residues in 243.8 ms
(Link to these results)