| 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 | 39.1 | Very low | 61.2 | Low | 224 Ų | 224 | 120.7 Ų | 120.7 | 100% | 1.103 | 65% | 0.65 | S | S | * | * | 0 | 108.5 | 0 | -108.9 | 171.5 | 174.3 | 0 | 0 | 107 | F3 | M1-F3 PolarHBondContact O-N 2.67Š| |||
| 2 | C | 38.2 | Very low | 64.2 | Low | 127 Ų | 127 | 120.3 Ų | 120.3 | 86% | 0.858 | 64% | 0.641 | S | S | * | * | trans | -71.8 | 113.7 | 168.1 | -71.5 | 0 | 0 | 0 | 0 | 107.1 | V4 | C2-V4 VanDerWaalsContact C-N 3.33Å; C2-V4 PolarHBondContact O-N 2.96Å | ||
| 3 | F | 46.7 | Very low | 66.8 | Low | 150 Ų | 150 | 111.8 Ų | 111.8 | 66% | 0.658 | 60% | 0.596 | S | S | * | * | trans | -69.6 | 98.3 | 166.2 | -72.1 | -89.9 | 0 | 0 | 0 | 106.5 | M1 T5 | M1-F3 PolarHBondContact O-N 2.67Å; F3-T5 PolarHBondContact O-N 3.41Å; F3-T5 VanDerWaalsContact O-N 3.13Å | ||
| 4 | V | 44.8 | Very low | 68.8 | Low | 113 Ų | 113 | 111.7 Ų | 111.7 | 69% | 0.685 | 60% | 0.602 | S | S | * | * | trans | -63.1 | 112.4 | 163 | -179.4 | 0 | 0 | 0 | 0 | 104.7 | C2 T6 | C2-V4 VanDerWaalsContact C-N 3.33Å; C2-V4 PolarHBondContact O-N 2.96Å; V4-T6 HydrophobicContact CG1-CG2 4.32Å; V4-T6 PolarHBondContact O-N 3.37Å | ||
| 5 | T | 46.1 | Very low | 70.7 | Confident | 127 Ų | 127 | 109.3 Ų | 109.3 | 78% | 0.779 | 59% | 0.588 | S | S | * | * | trans | -67.6 | 79.8 | 168.5 | 50.6 | 0 | 0 | 0 | 0 | 107.1 | F3 N7 | F3-T5 PolarHBondContact O-N 3.41Å; F3-T5 VanDerWaalsContact O-N 3.13Å; T5-N7 PolarHBondContact O-N 3.13Å; T5-N7 VanDerWaalsContact O-N 3.13Å | ||
| 6 | T | 51.7 | Low | 72.5 | Confident | 71 Ų | 71 | 103.4 Ų | 103.4 | 44% | 0.436 | 56% | 0.558 | S | S | . | * | trans | -58.3 | 113.7 | 160.5 | 37 | 0 | 0 | 0 | 0 | 105.4 | V4 L8 H417 | V4-T6 HydrophobicContact CG1-CG2 4.32Å; V4-T6 PolarHBondContact O-N 3.37Å; T6-L8 PolarHBondContact O-N 3.22Å; T6-H417 PolarHBondContact OG1-NE2 3.27Å | ||
| 7 | N | 60.4 | Low | 74 | Confident | 160 Ų | 160 | 97.4 Ų | 97.4 | 86% | 0.856 | 53% | 0.525 | S | S | * | . | trans | -64.9 | 79.2 | 164 | -86.5 | -20.5 | 0 | 0 | 0 | 106.6 | T5 L9 | T5-N7 PolarHBondContact O-N 3.13Å; T5-N7 VanDerWaalsContact O-N 3.13Å; N7-L9 PolarHBondContact O-N 3.45Å | ||
| 8 | L | 69.9 | Low | 75.4 | Confident | 58 Ų | 58 | 91.9 Ų | 91.9 | 30% | 0.304 | 50% | 0.496 | S | S | . | . | P | Polyproline II helix | trans | -58 | 124.6 | 168 | -74 | 162.1 | 0 | 0 | 0 | 106.3 | T6 K10 I416 T420 | T6-L8 PolarHBondContact O-N 3.22Å; L8-K10 PolarHBondContact O-N 2.9Å; L8-I416 HydrophobicContact CD1-CG2 3.76Å; L8-I416 HydrophobicContact CD2-CG2 4.23Å; L8-T420 HydrophobicContact CD2-CG2 4.11Å |
| 9 | L | 84.9 | Confident | 76.6 | Confident | 172 Ų | 172 | 87.3 Ų | 87.3 | 90% | 0.901 | 47% | 0.471 | S | S | * | . | P | Polyproline II helix | trans | -57.3 | 130.8 | 170 | -73.2 | 168 | 0 | 0 | 0 | 107.6 | N7 | N7-L9 PolarHBondContact O-N 3.45Š|
| 10 | K | 94.9 | Very high | 77.7 | Confident | 99 Ų | 99 | 83 Ų | 83 | 43% | 0.43 | 45% | 0.447 | S | S | . | . | P | Polyproline II helix | trans | -67.7 | 145.5 | 177.5 | -64.1 | -172 | -175.5 | -173.5 | 0 | 109.3 | L8 E12 T39 Y41 | L8-K10 PolarHBondContact O-N 2.9Å; K10-E12 PolarHBondContact O-N 3.27Å; K10-T39 WeakPolarHBondContact CE-O 3.47Å; K10-T39 PolarHBondContact NZ-O 3.19Å; K10-Y41 CarbonylContact C-O 3.57Å; K10-Y41 WeakPolarHBondContact CA-O 3.49Å |
| 11 | I | 96.4 | Very high | 78.6 | Confident | 27 Ų | 27 | 79.7 Ų | 79.7 | 14% | 0.138 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 119.8 | 171.2 | -59.2 | 165.4 | 0 | 0 | 0 | 107.3 | Y41 I42 S43 E357 L358 F361 | I11-Y41 PolarHBondContact N-O 3.22Å; I11-I42 HydrophobicContact CB-CG1 4.47Å; I11-I42 WeakPolarHBondContact O-CA 3.31Å; I11-I42 WeakPolarHBondContact O-CG2 3.48Å; I11-S43 PolarHBondContact O-N 3.2Å; I11-E357 HydrophobicContact CG1-CB 4.46Å; I11-E357 HydrophobicContact CG2-CB 4.12Å; I11-L358 HydrophobicContact CG2-CB 4.04Å; I11-L358 HydrophobicContact CG2-CD1 4.49Å; I11-F361 HydrophobicContact CD1-CB 3.5Å; I11-F361 VanDerWaalsContact CD1-CB 3.5Å; I11-F361 HydrophobicContact CD1-CD2 4.04Å; I11-F361 HydrophobicContact CD1-CG 3.9Å |
| 12 | E | 97.3 | Very high | 81.4 | Confident | 116 Ų | 116 | 69 Ų | 69 | 54% | 0.542 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 128.7 | 178.7 | -65.8 | -60.1 | 140.3 | 0 | 0 | 110.8 | K10 S43 N355 | K10-E12 PolarHBondContact O-N 3.27Å; E12-S43 WeakPolarHBondContact OE1-CB 3.33Å; E12-S43 PolarHBondContact OE1-OG 2.75Å; E12-S43 WeakPolarHBondContact OE2-CB 3.42Å; E12-S43 PolarHBondContact OE2-OG 2.76Å; E12-N355 PolarHBondContact O-ND2 3.41Å |
| 13 | V | 97.7 | Very high | 84.2 | Confident | 10 Ų | 10 | 63.3 Ų | 63.3 | 6% | 0.061 | 34% | 0.338 | C | S | . | . | trans | -110.8 | 110.4 | 174.6 | -169.5 | 0 | 0 | 0 | 0 | 108.6 | I42 S43 L44 R349 L358 | V13-I42 HydrophobicContact CG2-CG2 3.33Å; V13-S43 PolarHBondContact N-O 3.3Å; V13-L44 HydrophobicContact CB-CD1 3.8Å; V13-L44 HydrophobicContact CG1-CD1 3.76Å; V13-L44 HydrophobicContact CG2-CD1 4.09Å; V13-R349 HydrophobicContact CG1-CG 3.68Å; V13-L358 HydrophobicContact CG1-CD2 4.07Å; V13-L358 HydrophobicContact CG2-CD1 4.12Å; V13-L358 HydrophobicContact CG2-CD2 3.78Å | ||
| 14 | T | 95 | Very high | 86.6 | Confident | 110 Ų | 110 | 56.7 Ų | 56.7 | 68% | 0.675 | 31% | 0.309 | S | S | * | . | trans | -72.3 | -42.2 | -168.6 | 51.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 15 | N | 98.1 | Very high | 89.1 | Confident | 75 Ų | 75 | 51.4 Ų | 51.4 | 40% | 0.401 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -98.5 | 145.7 | 178.5 | -71 | -65.8 | 0 | 0 | 0 | 111.2 | D353 | N15-D353 PolarHBondContact ND2-OD1 3.47Š|
| 16 | P | 98.2 | Very high | 91.5 | Very high | 16 Ų | 16 | 45.4 Ų | 45.4 | 10% | 0.104 | 24% | 0.24 | C | C | . | . | trans | -70.8 | 160.7 | -178.7 | 30.9 | -36.3 | 0 | 0 | 0 | 112.2 | N45 L47 H74 | P16-N45 VanDerWaalsContact CA-O 3.24Å; P16-N45 WeakPolarHBondContact CA-O 3.45Å; P16-N45 HydrophobicContact CB-CB 4.19Å; P16-N45 WeakPolarHBondContact CB-O 3.44Å; P16-L47 HydrophobicContact CB-CD1 3.99Å; P16-L47 HydrophobicContact CB-CG 3.89Å; P16-L47 HydrophobicContact CG-CD1 3.96Å; P16-L47 HydrophobicContact CG-CG 4.38Å; P16-H74 WeakPolarHBondContact CG-ND1 3.43Å | ||
| 17 | I | 98.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 157.5 | 160.2 | 63.4 | 81.7 | 0 | 0 | 0 | 109.3 | E19 L44 N45 C46 L47 V76 I78 W342 R349 | I17-E19 HydrophobicContact CD1-CB 3.93Å; I17-L44 HydrophobicContact CD1-CD2 4.42Å; I17-L44 HydrophobicContact CG1-CD1 3.9Å; I17-L44 HydrophobicContact CG1-CD2 3.89Å; I17-L44 HydrophobicContact CG1-CG 4.15Å; I17-L44 HydrophobicContact CG2-CD1 4.29Å; I17-N45 PolarHBondContact N-O 3.14Å; I17-N45 VanDerWaalsContact N-O 3.15Å; I17-C46 HydrophobicContact CD1-CB 4.29Å; I17-L47 PolarHBondContact O-N 2.9Å; I17-V76 HydrophobicContact CB-CB 4.39Å; I17-V76 HydrophobicContact CB-CG1 3.96Å; I17-V76 HydrophobicContact CG2-CB 3.99Å; I17-V76 HydrophobicContact CG2-CG1 3.57Å; I17-I78 HydrophobicContact CB-CD1 4.42Å; I17-I78 HydrophobicContact CD1-CD1 4.12Å; I17-I78 HydrophobicContact CD1-CG1 4.28Å; I17-I78 HydrophobicContact CG1-CD1 4.17Å; I17-W342 HydrophobicContact CD1-CZ3 4.23Å; I17-R349 HydrophobicContact CG2-CB 4.05Å; I17-R349 HydrophobicContact CG2-CG 3.88Å |
| 18 | V | 98.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 119.6 | 171 | -169.7 | 0 | 0 | 0 | 0 | 108.1 | L20 L47 F49 C70 I71 H74 V76 G77 I78 | V18-L20 HydrophobicContact CB-CD1 4.12Å; V18-L20 HydrophobicContact CG1-CD1 3.66Å; V18-L20 HydrophobicContact CG1-CG 4.45Å; V18-L20 WeakPolarHBondContact O-CD1 3.49Å; V18-L47 WeakPolarHBondContact CA-O 3.37Å; V18-L47 HydrophobicContact CG2-CD1 4.49Å; V18-F49 HydrophobicContact CG1-CD2 3.56Å; V18-F49 HydrophobicContact CG1-CE2 3.64Å; V18-C70 HydrophobicContact CG1-CB 4.19Å; V18-C70 HydrophobicContact CG2-CB 4.12Å; V18-I71 HydrophobicContact CB-CG1 3.85Å; V18-I71 HydrophobicContact CG1-CG1 4.03Å; V18-I71 HydrophobicContact CG2-CG1 4.11Å; V18-H74 HydrophobicContact CG2-CB 4.1Å; V18-V76 PolarHBondContact N-O 3.37Å; V18-G77 CarbonylContact O-C 3.57Å; V18-G77 WeakPolarHBondContact O-CA 3.14Å; V18-I78 PolarHBondContact O-N 3.36Å |
| 19 | E | 98.6 | Very high | 96.7 | Very high | 4 Ų | 4 | 36.4 Ų | 36.4 | 2% | 0.019 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 123.7 | 177.7 | 179.5 | -177.7 | -169.2 | 0 | 0 | 109.1 | I17 W30 K34 C46 L47 Y48 F49 I78 W342 | I17-E19 HydrophobicContact CD1-CB 3.93Å; E19-W30 PolarHBondContact OE1-NE1 3.2Å; E19-K34 VanDerWaalsContact CD-NZ 3.32Å; E19-K34 WeakPolarHBondContact OE1-CD 3.49Å; E19-K34 IonicContact OE1-NZ 3.83Å; E19-K34 PolarHBondContact OE1-NZ 3.08Å; E19-K34 IonicContact OE2-NZ 3.77Å; E19-K34 PolarHBondContact OE2-NZ 3.46Å; E19-C46 HydrophobicContact CB-CB 4.17Å; E19-C46 WeakPolarHBondContact OE2-CB 3.44Å; E19-L47 PolarHBondContact N-O 3.49Å; E19-Y48 HydrophobicContact CG-CD2 4.29Å; E19-Y48 CarbonylContact O-C 3.54Å; E19-Y48 WeakPolarHBondContact O-CA 3.4Å; E19-F49 PolarHBondContact O-N 3.33Å; E19-I78 WeakPolarHBondContact CA-O 3.26Å; E19-W342 HydrophobicContact CG-CH2 4.15Å; E19-W342 HydrophobicContact CG-CZ2 4.25Å; E19-W342 WeakPolarHBondContact OE1-CZ2 3.46Å |
| 20 | L | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 99.3 | -178.2 | -63.9 | 79.1 | 0 | 0 | 0 | 107.1 | V18 F49 L51 A67 I71 I78 K79 C80 I106 | V18-L20 HydrophobicContact CB-CD1 4.12Å; V18-L20 HydrophobicContact CG1-CD1 3.66Å; V18-L20 HydrophobicContact CG1-CG 4.45Å; V18-L20 WeakPolarHBondContact O-CD1 3.49Å; L20-F49 WeakPolarHBondContact CA-O 3.33Å; L20-L51 HydrophobicContact CB-CD1 4.1Å; L20-L51 HydrophobicContact CB-CG 4.27Å; L20-L51 HydrophobicContact CD2-CD1 3.79Å; L20-L51 HydrophobicContact CG-CD1 4.36Å; L20-A67 HydrophobicContact CD2-CB 3.79Å; L20-A67 HydrophobicContact CG-CB 4.08Å; L20-I71 HydrophobicContact CD1-CD1 3.85Å; L20-I71 HydrophobicContact CD1-CG1 4.26Å; L20-I71 HydrophobicContact CD2-CD1 3.95Å; L20-I78 PolarHBondContact N-O 2.88Å; L20-K79 HydrophobicContact CB-CB 3.95Å; L20-K79 HydrophobicContact CB-CG 3.91Å; L20-K79 HydrophobicContact CD2-CD 4.36Å; L20-K79 HydrophobicContact CD2-CG 4.44Å; L20-K79 WeakPolarHBondContact O-CA 3.22Å; L20-C80 WeakPolarHBondContact O-CB 3.15Å; L20-C80 PolarHBondContact O-N 3.39Å; L20-I106 HydrophobicContact CD2-CD1 3.56Å |
| 21 | D | 97.8 | Very high | 97.5 | Very high | 15 Ų | 15 | 26.2 Ų | 26.2 | 8% | 0.08 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 164.9 | 179.3 | -157 | -0.5 | 0 | 0 | 0 | 111.1 | R27 Y48 F49 L51 | D21-R27 WeakPolarHBondContact OD1-CG 3.21Å; D21-R27 IonicContact OD2-CZ 3.76Å; D21-R27 VanDerWaalsContact OD2-CZ 3.25Å; D21-R27 IonicContact OD2-NE 2.79Å; D21-R27 IonicContact OD2-NH1 2.75Å; D21-R27 IonicContact OD2-NH2 2.87Å; D21-R27 PolarHBondContact OD2-NH2 3.45Å; D21-Y48 HydrophobicContact CB-CE2 3.55Å; D21-Y48 WeakPolarHBondContact CB-OH 3.38Å; D21-Y48 PolarHBondContact OD2-OH 2.74Å; D21-F49 PolarHBondContact N-O 3.28Å; D21-L51 WeakPolarHBondContact O-CA 3.4Å; D21-L51 VanDerWaalsContact O-CB 3.24Å; D21-L51 WeakPolarHBondContact O-CB 3.35Å; D21-L51 PolarHBondContact O-N 2.87Å |
| 22 | G | 97.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.146 | C | C | . | . | trans | -137.2 | -150.2 | -167.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | R27 A81 | G22-R27 WeakPolarHBondContact O-CD 3.37Å; G22-R27 PolarHBondContact O-NH1 3.31Å; G22-A81 WeakPolarHBondContact CA-O 3.36Å | ||
| 23 | D | 97.9 | Very high | 97.6 | Very high | 7 Ų | 7 | 21.4 Ų | 21.4 | 4% | 0.037 | 12% | 0.121 | C | C | . | . | trans | -117.7 | 164.5 | -169.2 | -69 | -69.4 | 0 | 0 | 0 | 113.3 | T26 R27 S52 L53 A81 T82 I83 T317 | D23-T26 PolarHBondContact O-N 3.39Å; D23-T26 PolarHBondContact O-OG1 2.86Å; D23-R27 PolarHBondContact O-N 2.87Å; D23-S52 WeakPolarHBondContact OD1-CA 3.26Å; D23-S52 WeakPolarHBondContact OD1-CB 3.49Å; D23-L53 PolarHBondContact OD1-N 2.71Å; D23-A81 PolarHBondContact N-O 3.07Å; D23-T82 WeakPolarHBondContact OD2-CA 3.27Å; D23-I83 HydrophobicContact CB-CD1 3.9Å; D23-I83 HydrophobicContact CB-CG1 3.71Å; D23-I83 PolarHBondContact OD2-N 3.48Å; D23-T317 HydrophobicContact CB-CG2 3.99Å | ||
| 24 | E | 96.8 | Very high | 97.6 | Very high | 10 Ų | 10 | 23.4 Ų | 23.4 | 5% | 0.047 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | 47.9 | -138 | 166.6 | -59.9 | -178 | 145.2 | 0 | 0 | 114.4 | T26 R27 V28 I83 R89 T317 T319 Y322 | E24-T26 PolarHBondContact O-N 2.82Å; E24-R27 WeakPolarHBondContact O-CB 3.34Å; E24-R27 PolarHBondContact O-N 3.44Å; E24-V28 PolarHBondContact O-N 3.29Å; E24-I83 HydrophobicContact CG-CD1 3.93Å; E24-R89 IonicContact OE1-CZ 3.65Å; E24-R89 IonicContact OE1-NH1 3.45Å; E24-R89 PolarHBondContact OE1-NH1 2.55Å; E24-R89 IonicContact OE1-NH2 3.6Å; E24-R89 PolarHBondContact OE1-NH2 2.89Å; E24-R89 IonicContact OE2-NH2 2.61Å; E24-T317 VanDerWaalsContact OE2-CB 3.29Å; E24-T317 WeakPolarHBondContact OE2-CB 3.15Å; E24-T317 PolarHBondContact OE2-OG1 2.67Å; E24-T319 VanDerWaalsContact CD-OG1 3.26Å; E24-T319 VanDerWaalsContact OE1-CG2 3.3Å; E24-T319 WeakPolarHBondContact OE1-CG2 3.3Å; E24-T319 PolarHBondContact OE1-OG1 3.49Å; E24-T319 VanDerWaalsContact OE1-OG1 3.13Å; E24-T319 VanDerWaalsContact OE2-CA 3.22Å; E24-T319 WeakPolarHBondContact OE2-CA 3.38Å; E24-T319 WeakPolarHBondContact OE2-CB 3.49Å; E24-T319 PolarHBondContact OE2-N 3.01Å; E24-T319 PolarHBondContact OE2-OG1 3.18Å; E24-Y322 HydrophobicContact CB-CD1 3.79Å; E24-Y322 HydrophobicContact CB-CD2 4.17Å; E24-Y322 HydrophobicContact CB-CE1 4.42Å; E24-Y322 HydrophobicContact CB-CG 3.65Å; E24-Y322 HydrophobicContact CG-CD1 3.78Å; E24-Y322 HydrophobicContact CG-CE1 4.26Å; E24-Y322 HydrophobicContact CG-CG 4.18Å |
| 25 | M | 97.1 | Very high | 97.7 | Very high | 3 Ų | 3 | 24.7 Ų | 24.7 | 2% | 0.015 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -67.8 | -31.5 | -172.6 | -169.1 | 66.5 | -148.3 | 0 | 0 | 111 | R27 V28 I29 T317 V318 H321 Y325 T331 T333 | M25-R27 VanDerWaalsContact C-N 3.3Å; M25-R27 PolarHBondContact O-N 3.12Å; M25-V28 HydrophobicContact CE-CB 4.28Å; M25-V28 HydrophobicContact CE-CG1 4.16Å; M25-V28 PolarHBondContact O-N 3.28Å; M25-I29 HydrophobicContact CE-CD1 4.2Å; M25-I29 HydrophobicContact CE-CG1 3.99Å; M25-I29 HydrophobicContact CG-CD1 3.99Å; M25-I29 VanDerWaalsContact O-CG1 3.32Å; M25-I29 WeakPolarHBondContact O-CG1 3.42Å; M25-I29 PolarHBondContact O-N 3.05Å; M25-T317 PolarHBondContact N-O 3.19Å; M25-V318 HydrophobicContact CB-CB 4.14Å; M25-H321 HydrophobicContact CB-CB 4.31Å; M25-H321 HydrophobicContact CG-CB 3.85Å; M25-H321 HydrophobicContact SD-CB 4.24Å; M25-Y325 HydrophobicContact CE-CD2 4.44Å; M25-Y325 HydrophobicContact SD-CG 4.17Å; M25-T331 VanDerWaalsContact CE-OG1 3.27Å; M25-T331 WeakPolarHBondContact CE-OG1 3.35Å; M25-T331 HydrophobicContact SD-CG2 4.43Å; M25-T333 HydrophobicContact CG-CG2 4.39Å; M25-T333 WeakPolarHBondContact CG-OG1 3.32Å |
| 26 | T | 96.1 | Very high | 97.7 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -64 | -35.2 | 176.1 | 42.6 | 0 | 0 | 0 | 0 | 112.2 | D23 E24 I29 W30 C80 A81 G316 T317 V318 | D23-T26 PolarHBondContact O-N 3.39Å; D23-T26 PolarHBondContact O-OG1 2.86Å; E24-T26 PolarHBondContact O-N 2.82Å; T26-I29 PolarHBondContact O-N 3.01Å; T26-W30 VanDerWaalsContact O-CB 3.22Å; T26-W30 WeakPolarHBondContact O-CB 3.29Å; T26-W30 PolarHBondContact O-N 3.45Å; T26-C80 VanDerWaalsContact C-SG 3.6Å; T26-A81 HydrophobicContact CG2-CB 3.98Å; T26-G316 WeakPolarHBondContact CG2-O 3.41Å; T26-T317 PolarHBondContact N-O 2.73Å; T26-T317 WeakPolarHBondContact OG1-CA 3.38Å; T26-V318 HydrophobicContact CG2-CG2 4.17Å |
| 27 | R | 97.3 | Very high | 97.7 | Very high | 75 Ų | 75 | 22 Ų | 22 | 28% | 0.283 | 11% | 0.11 | S | C | . | . | H | α-helix | trans | -61.6 | -44 | 172.3 | -170.7 | -175.5 | -173.6 | 105.5 | -8.5 | 112.3 | D21 G22 D23 E24 M25 I29 W30 A31 Y48 D50 | D21-R27 WeakPolarHBondContact OD1-CG 3.21Å; D21-R27 IonicContact OD2-CZ 3.76Å; D21-R27 VanDerWaalsContact OD2-CZ 3.25Å; D21-R27 IonicContact OD2-NE 2.79Å; D21-R27 IonicContact OD2-NH1 2.75Å; D21-R27 IonicContact OD2-NH2 2.87Å; D21-R27 PolarHBondContact OD2-NH2 3.45Å; G22-R27 WeakPolarHBondContact O-CD 3.37Å; G22-R27 PolarHBondContact O-NH1 3.31Å; D23-R27 PolarHBondContact O-N 2.87Å; E24-R27 WeakPolarHBondContact O-CB 3.34Å; E24-R27 PolarHBondContact O-N 3.44Å; M25-R27 VanDerWaalsContact C-N 3.3Å; M25-R27 PolarHBondContact O-N 3.12Å; R27-I29 VanDerWaalsContact C-N 3.35Å; R27-I29 PolarHBondContact O-N 3.13Å; R27-W30 WeakPolarHBondContact O-CB 3.47Å; R27-W30 PolarHBondContact O-N 3.33Å; R27-A31 PolarHBondContact O-N 3.04Å; R27-A31 VanDerWaalsContact O-N 3.1Å; R27-Y48 PolarHBondContact NH2-OH 2.86Å; R27-D50 IonicContact CZ-OD1 2.77Å; R27-D50 IonicContact CZ-OD2 2.88Å; R27-D50 IonicContact NH1-OD1 3.33Å; R27-D50 PolarHBondContact NH1-OD1 3.33Å; R27-D50 IonicContact NH1-OD2 3.49Å; R27-D50 PolarHBondContact NH1-OD2 2.61Å; R27-D50 IonicContact NH2-OD1 3.52Å; R27-D50 IonicContact NH2-OD2 3.62Å; R27-D50 PolarHBondContact NH2-OD2 2.88Å |
| 28 | V | 97.6 | Very high | 97.7 | Very high | 23 Ų | 23 | 22 Ų | 22 | 14% | 0.139 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -60.9 | -46.9 | 178 | 179.2 | 0 | 0 | 0 | 0 | 110.4 | E24 M25 W30 A31 Q32 Y322 Y325 | E24-V28 PolarHBondContact O-N 3.29Å; M25-V28 HydrophobicContact CE-CB 4.28Å; M25-V28 HydrophobicContact CE-CG1 4.16Å; M25-V28 PolarHBondContact O-N 3.28Å; V28-W30 VanDerWaalsContact C-N 3.35Å; V28-A31 PolarHBondContact O-N 3.41Å; V28-Q32 WeakPolarHBondContact O-CG 3.17Å; V28-Q32 PolarHBondContact O-N 2.77Å; V28-Q32 VanDerWaalsContact O-N 3.14Å; V28-Y322 HydrophobicContact CG2-CD2 4.46Å; V28-Y322 HydrophobicContact CG2-CE2 4.28Å; V28-Y325 HydrophobicContact CG1-CD2 4.36Å; V28-Y325 HydrophobicContact CG1-CE1 4.17Å; V28-Y325 HydrophobicContact CG1-CE2 3.82Å; V28-Y325 HydrophobicContact CG2-CD1 3.96Å; V28-Y325 HydrophobicContact CG2-CE1 3.61Å |
| 29 | I | 96.9 | Very high | 97.6 | Very high | 2 Ų | 2 | 24.5 Ų | 24.5 | 1% | 0.01 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -66.2 | -39.1 | 178.8 | -66.5 | 168.7 | 0 | 0 | 0 | 111.1 | M25 T26 R27 A31 Q32 I33 T333 P335 T401 | M25-I29 HydrophobicContact CE-CD1 4.2Å; M25-I29 HydrophobicContact CE-CG1 3.99Å; M25-I29 HydrophobicContact CG-CD1 3.99Å; M25-I29 VanDerWaalsContact O-CG1 3.32Å; M25-I29 WeakPolarHBondContact O-CG1 3.42Å; M25-I29 PolarHBondContact O-N 3.05Å; T26-I29 PolarHBondContact O-N 3.01Å; R27-I29 VanDerWaalsContact C-N 3.35Å; R27-I29 PolarHBondContact O-N 3.13Å; I29-A31 PolarHBondContact O-N 3.42Å; I29-Q32 PolarHBondContact O-N 3.13Å; I29-I33 HydrophobicContact CG2-CD1 3.6Å; I29-I33 HydrophobicContact CG2-CG1 4.1Å; I29-I33 VanDerWaalsContact O-CG1 3.26Å; I29-I33 WeakPolarHBondContact O-CG1 3.41Å; I29-I33 PolarHBondContact O-N 3.04Å; I29-T333 VanDerWaalsContact CD1-CB 3.42Å; I29-T333 HydrophobicContact CD1-CG2 3.33Å; I29-P335 HydrophobicContact CG2-CB 3.58Å; I29-T401 HydrophobicContact CD1-CG2 3.97Å; I29-T401 HydrophobicContact CG1-CG2 3.85Å |
| 30 | W | 97.9 | Very high | 97.5 | Very high | 2 Ų | 2 | 26.6 Ų | 26.6 | 1% | 0.008 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -57.6 | -48.3 | 178.1 | -163.9 | -105.2 | 0 | 0 | 0 | 111.8 | E19 T26 R27 V28 I33 K34 I78 K79 C80 A341 W342 | E19-W30 PolarHBondContact OE1-NE1 3.2Å; T26-W30 VanDerWaalsContact O-CB 3.22Å; T26-W30 WeakPolarHBondContact O-CB 3.29Å; T26-W30 PolarHBondContact O-N 3.45Å; R27-W30 WeakPolarHBondContact O-CB 3.47Å; R27-W30 PolarHBondContact O-N 3.33Å; V28-W30 VanDerWaalsContact C-N 3.35Å; W30-I33 PolarHBondContact O-N 3.16Å; W30-K34 WeakPolarHBondContact O-CB 3.4Å; W30-K34 PolarHBondContact O-N 2.99Å; W30-I78 HydrophobicContact CH2-CG2 3.62Å; W30-I78 HydrophobicContact CZ2-CB 4.49Å; W30-I78 HydrophobicContact CZ2-CG2 3.67Å; W30-K79 VanDerWaalsContact CH2-C 3.5Å; W30-K79 WeakPolarHBondContact CH2-O 3.19Å; W30-C80 HydrophobicContact CB-CB 4.44Å; W30-C80 HydrophobicContact CD2-CB 3.67Å; W30-C80 HydrophobicContact CE3-CB 3.92Å; W30-C80 HydrophobicContact CG-CB 3.93Å; W30-C80 HydrophobicContact CZ2-CB 4.38Å; W30-C80 HydrophobicContact CZ3-CB 4.37Å; W30-A341 HydrophobicContact CH2-CB 4.08Å; W30-A341 HydrophobicContact CZ3-CB 4.12Å; W30-W342 AromaticContact CD2-NE1 3.49Å; W30-W342 AromaticContact CE2-CE2 3.7Å; W30-W342 AromaticContact CE2-CZ2 3.79Å; W30-W342 AromaticContact CE2-NE1 3.25Å; W30-W342 AromaticContact CE3-NE1 3.7Å; W30-W342 AromaticContact CH2-CD1 3.71Å; W30-W342 HydrophobicContact CH2-CG 4.42Å; W30-W342 AromaticContact CH2-NE1 3.55Å; W30-W342 AromaticContact CZ2-CD1 3.94Å; W30-W342 HydrophobicContact CZ2-CD2 4.4Å; W30-W342 AromaticContact CZ2-CE2 3.62Å; W30-W342 AromaticContact CZ2-CZ2 3.92Å; W30-W342 HydrophobicContact CZ2-CZ2 3.92Å; W30-W342 AromaticContact CZ2-NE1 3.3Å; W30-W342 VanDerWaalsContact CZ2-NE1 3.3Å; W30-W342 AromaticContact CZ3-CD1 3.76Å; W30-W342 AromaticContact CZ3-NE1 3.73Å; W30-W342 AromaticContact NE1-CE2 3.98Å; W30-W342 AromaticContact NE1-CZ2 3.6Å; W30-W342 AromaticContact NE1-NE1 3.83Å |
| 31 | A | 97.8 | Very high | 97.4 | Very high | 56 Ų | 56 | 27.5 Ų | 27.5 | 46% | 0.463 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -61.1 | -44.5 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | R27 V28 I29 K34 E35 | R27-A31 PolarHBondContact O-N 3.04Å; R27-A31 VanDerWaalsContact O-N 3.1Å; V28-A31 PolarHBondContact O-N 3.41Å; I29-A31 PolarHBondContact O-N 3.42Å; A31-K34 PolarHBondContact O-N 2.87Å; A31-E35 WeakPolarHBondContact O-CB 3.41Å; A31-E35 PolarHBondContact O-N 3.35Å |
| 32 | Q | 97.8 | Very high | 97.4 | Very high | 41 Ų | 41 | 27 Ų | 27 | 19% | 0.192 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -64.5 | -41.3 | 178.9 | -71.6 | 177.7 | -14.3 | 0 | 0 | 112.8 | V28 I29 K34 E35 K36 M405 | V28-Q32 WeakPolarHBondContact O-CG 3.17Å; V28-Q32 PolarHBondContact O-N 2.77Å; V28-Q32 VanDerWaalsContact O-N 3.14Å; I29-Q32 PolarHBondContact O-N 3.13Å; Q32-K34 VanDerWaalsContact C-N 3.34Å; Q32-E35 PolarHBondContact O-N 3.26Å; Q32-K36 VanDerWaalsContact O-CB 3.28Å; Q32-K36 WeakPolarHBondContact O-CB 3.3Å; Q32-K36 WeakPolarHBondContact O-CG 3.36Å; Q32-K36 PolarHBondContact O-N 2.83Å; Q32-M405 HydrophobicContact CB-CE 3.59Å; Q32-M405 HydrophobicContact CB-SD 4.02Å; Q32-M405 HydrophobicContact CG-CE 4.3Å |
| 33 | I | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -59.5 | -49.1 | 174.3 | -70.4 | 164.8 | 0 | 0 | 0 | 109.4 | I29 W30 E35 L37 I38 P335 S338 I339 W342 M405 | I29-I33 HydrophobicContact CG2-CD1 3.6Å; I29-I33 HydrophobicContact CG2-CG1 4.1Å; I29-I33 VanDerWaalsContact O-CG1 3.26Å; I29-I33 WeakPolarHBondContact O-CG1 3.41Å; I29-I33 PolarHBondContact O-N 3.04Å; W30-I33 PolarHBondContact O-N 3.16Å; I33-E35 PolarHBondContact O-N 3.26Å; I33-L37 WeakPolarHBondContact O-CA 3.39Å; I33-L37 VanDerWaalsContact O-CB 3.31Å; I33-L37 WeakPolarHBondContact O-CB 3.32Å; I33-L37 PolarHBondContact O-N 2.79Å; I33-I38 HydrophobicContact CG2-CG1 4.21Å; I33-I38 PolarHBondContact O-N 2.76Å; I33-P335 HydrophobicContact CD1-CB 4.3Å; I33-S338 VanDerWaalsContact CD1-CB 3.46Å; I33-I339 HydrophobicContact CD1-CG1 3.68Å; I33-I339 HydrophobicContact CG1-CG1 3.77Å; I33-I339 HydrophobicContact CG2-CG1 4.15Å; I33-W342 HydrophobicContact CG2-CG 4.28Å; I33-M405 HydrophobicContact CG1-SD 3.87Å |
| 34 | K | 97.8 | Very high | 97.3 | Very high | 53 Ų | 53 | 30.3 Ų | 30.3 | 23% | 0.23 | 16% | 0.161 | C | C | . | . | I | π-helix | trans | -59.4 | -47.9 | -179.3 | -173 | 174.7 | -176.8 | 179.7 | 0 | 111.7 | E19 W30 A31 Q32 I38 T39 W342 | E19-K34 VanDerWaalsContact CD-NZ 3.32Å; E19-K34 WeakPolarHBondContact OE1-CD 3.49Å; E19-K34 IonicContact OE1-NZ 3.83Å; E19-K34 PolarHBondContact OE1-NZ 3.08Å; E19-K34 IonicContact OE2-NZ 3.77Å; E19-K34 PolarHBondContact OE2-NZ 3.46Å; W30-K34 WeakPolarHBondContact O-CB 3.4Å; W30-K34 PolarHBondContact O-N 2.99Å; A31-K34 PolarHBondContact O-N 2.87Å; Q32-K34 VanDerWaalsContact C-N 3.34Å; K34-I38 PolarHBondContact O-N 3.01Å; K34-T39 HydrophobicContact CG-CG2 3.77Å; K34-T39 PolarHBondContact O-N 2.6Å; K34-T39 PolarHBondContact O-OG1 2.97Å; K34-T39 VanDerWaalsContact O-OG1 3.08Å; K34-W342 HydrophobicContact CB-CZ2 4.29Å; K34-W342 HydrophobicContact CD-CH2 4.19Å; K34-W342 HydrophobicContact CD-CZ2 4.09Å; K34-W342 HydrophobicContact CG-CH2 4.44Å; K34-W342 HydrophobicContact CG-CZ2 4.28Å |
| 35 | E | 97.4 | Very high | 97.3 | Very high | 136 Ų | 136 | 34.3 Ų | 34.3 | 64% | 0.636 | 18% | 0.183 | S | C | * | . | I | π-helix | trans | -68.4 | -42.8 | -179.3 | -174.6 | -175.3 | 175 | 0 | 0 | 113.4 | A31 Q32 I33 P40 | A31-E35 WeakPolarHBondContact O-CB 3.41Å; A31-E35 PolarHBondContact O-N 3.35Å; Q32-E35 PolarHBondContact O-N 3.26Å; I33-E35 PolarHBondContact O-N 3.26Å; E35-P40 WeakPolarHBondContact O-CD 3.3Å; E35-P40 WeakPolarHBondContact O-CG 3.44Å |
| 36 | K | 97.7 | Very high | 97.4 | Very high | 34 Ų | 34 | 35.5 Ų | 35.5 | 15% | 0.148 | 19% | 0.191 | C | C | . | . | I | π-helix | trans | -89.6 | -32.6 | -173.2 | -67.8 | -168.9 | 171.5 | -162.9 | 0 | 113.7 | Q32 E402 D406 | Q32-K36 VanDerWaalsContact O-CB 3.28Å; Q32-K36 WeakPolarHBondContact O-CB 3.3Å; Q32-K36 WeakPolarHBondContact O-CG 3.36Å; Q32-K36 PolarHBondContact O-N 2.83Å; K36-E402 IonicContact NZ-OE1 2.98Å; K36-E402 PolarHBondContact NZ-OE1 3.46Å; K36-D406 IonicContact NZ-OD1 3.44Å; K36-D406 PolarHBondContact NZ-OD1 2.77Å; K36-D406 IonicContact NZ-OD2 3.04Å |
| 37 | L | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.203 | C | C | . | . | I | π-helix | trans | -120.7 | -16.4 | -165.6 | -56.7 | 175.7 | 0 | 0 | 0 | 113.9 | I33 Y41 I339 F361 L365 V408 K409 | I33-L37 WeakPolarHBondContact O-CA 3.39Å; I33-L37 VanDerWaalsContact O-CB 3.31Å; I33-L37 WeakPolarHBondContact O-CB 3.32Å; I33-L37 PolarHBondContact O-N 2.79Å; L37-Y41 WeakPolarHBondContact O-CD2 3.22Å; L37-I339 HydrophobicContact CD1-CD1 3.77Å; L37-I339 HydrophobicContact CD1-CG1 4.04Å; L37-F361 VanDerWaalsContact O-CZ 3.31Å; L37-F361 WeakPolarHBondContact O-CZ 3.41Å; L37-L365 HydrophobicContact CB-CD1 4.35Å; L37-L365 HydrophobicContact CB-CD2 4.37Å; L37-L365 HydrophobicContact CD1-CD1 4.24Å; L37-L365 HydrophobicContact CD2-CD1 4.46Å; L37-V408 HydrophobicContact CD1-CG1 4.18Å; L37-V408 HydrophobicContact CD2-CG1 4.25Å; L37-K409 HydrophobicContact CD2-CB 3.75Å; L37-K409 HydrophobicContact CD2-CG 4.37Å |
| 38 | I | 98.2 | Very high | 97.5 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | I | π-helix | trans | -112.1 | -66.4 | -177.8 | -52.5 | -59.9 | 0 | 0 | 0 | 111.5 | I33 K34 Y41 I42 L44 W342 L346 L365 | I33-I38 HydrophobicContact CG2-CG1 4.21Å; I33-I38 PolarHBondContact O-N 2.76Å; K34-I38 PolarHBondContact O-N 3.01Å; I38-Y41 PolarHBondContact O-N 3.47Å; I38-I42 HydrophobicContact CG2-CD1 4.17Å; I38-I42 PolarHBondContact O-N 3.1Å; I38-L44 HydrophobicContact CG2-CD2 4.46Å; I38-W342 HydrophobicContact CD1-CB 4.06Å; I38-W342 HydrophobicContact CD1-CD2 4.5Å; I38-W342 HydrophobicContact CD1-CG 4.32Å; I38-W342 HydrophobicContact CG1-CD2 4.14Å; I38-W342 HydrophobicContact CG1-CE3 4.28Å; I38-W342 HydrophobicContact CG1-CG 4.28Å; I38-W342 HydrophobicContact CG2-CE3 4.36Å; I38-W342 HydrophobicContact CG2-CZ3 4.44Å; I38-L346 HydrophobicContact CD1-CD1 4.09Å; I38-L346 HydrophobicContact CG2-CD1 4.25Å; I38-L365 HydrophobicContact CD1-CD2 3.91Å |
| 39 | T | 96.6 | Very high | 97.6 | Very high | 52 Ų | 52 | 39.8 Ų | 39.8 | 32% | 0.319 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -21.6 | -172.1 | 62.2 | 0 | 0 | 0 | 0 | 115.6 | K10 K34 Y41 | K10-T39 WeakPolarHBondContact CE-O 3.47Å; K10-T39 PolarHBondContact NZ-O 3.19Å; K34-T39 HydrophobicContact CG-CG2 3.77Å; K34-T39 PolarHBondContact O-N 2.6Å; K34-T39 PolarHBondContact O-OG1 2.97Å; K34-T39 VanDerWaalsContact O-OG1 3.08Å; T39-Y41 VanDerWaalsContact C-N 3.25Å; T39-Y41 PolarHBondContact O-N 3.41Å |
| 40 | P | 96.7 | Very high | 97.7 | Very high | 48 Ų | 48 | 41.2 Ų | 41.2 | 31% | 0.312 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -26.9 | 171.2 | -24.4 | 37.1 | 0 | 0 | 0 | 113.2 | E35 | E35-P40 WeakPolarHBondContact O-CD 3.3Å; E35-P40 WeakPolarHBondContact O-CG 3.44Å |
| 41 | Y | 97.2 | Very high | 97.7 | Very high | 20 Ų | 20 | 41.1 Ų | 41.1 | 8% | 0.078 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.9 | -18.1 | -171 | -48.8 | -76 | 0 | 0 | 0 | 113.4 | K10 I11 L37 I38 T39 F361 K409 L412 E413 I416 | K10-Y41 CarbonylContact C-O 3.57Å; K10-Y41 WeakPolarHBondContact CA-O 3.49Å; I11-Y41 PolarHBondContact N-O 3.22Å; L37-Y41 WeakPolarHBondContact O-CD2 3.22Å; I38-Y41 PolarHBondContact O-N 3.47Å; T39-Y41 VanDerWaalsContact C-N 3.25Å; T39-Y41 PolarHBondContact O-N 3.41Å; Y41-F361 VanDerWaalsContact CB-CE2 3.41Å; Y41-F361 AromaticContact CD2-CE2 3.83Å; Y41-F361 HydrophobicContact CD2-CE2 3.83Å; Y41-F361 HydrophobicContact CD2-CZ 4.05Å; Y41-F361 AromaticContact CG-CE2 3.7Å; Y41-F361 HydrophobicContact CG-CE2 3.7Å; Y41-F361 HydrophobicContact CG-CZ 4.3Å; Y41-K409 WeakPolarHBondContact OH-CE 3.1Å; Y41-L412 HydrophobicContact CD2-CD2 3.99Å; Y41-L412 HydrophobicContact CE2-CD2 3.66Å; Y41-E413 HydrophobicContact CE1-CG 4.29Å; Y41-E413 VanDerWaalsContact OH-CG 3.31Å; Y41-E413 WeakPolarHBondContact OH-CG 3.4Å; Y41-E413 PolarHBondContact OH-OE1 3.5Å; Y41-I416 HydrophobicContact CD1-CD1 3.67Å; Y41-I416 HydrophobicContact CE1-CD1 3.92Å; Y41-I416 HydrophobicContact CG-CD1 4.24Å |
| 42 | I | 97.5 | Very high | 97.7 | Very high | 3 Ų | 3 | 39.1 Ų | 39.1 | 2% | 0.015 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 132.7 | -174.6 | -56.6 | 171.5 | 0 | 0 | 0 | 110.1 | I11 V13 I38 L44 L346 L358 F361 | I11-I42 HydrophobicContact CB-CG1 4.47Å; I11-I42 WeakPolarHBondContact O-CA 3.31Å; I11-I42 WeakPolarHBondContact O-CG2 3.48Å; V13-I42 HydrophobicContact CG2-CG2 3.33Å; I38-I42 HydrophobicContact CG2-CD1 4.17Å; I38-I42 PolarHBondContact O-N 3.1Å; I42-L44 HydrophobicContact CG2-CB 3.93Å; I42-L346 HydrophobicContact CD1-CD1 3.89Å; I42-L358 HydrophobicContact CD1-CD1 3.6Å; I42-L358 HydrophobicContact CG1-CD1 4.19Å; I42-L358 HydrophobicContact CG2-CD1 4.31Å; I42-F361 HydrophobicContact CD1-CD1 3.5Å; I42-F361 VanDerWaalsContact CD1-CD1 3.5Å; I42-F361 HydrophobicContact CD1-CE1 3.32Å; I42-F361 HydrophobicContact CD1-CG 4.29Å; I42-F361 HydrophobicContact CD1-CZ 4Å; I42-F361 HydrophobicContact CG1-CD1 4.2Å; I42-F361 HydrophobicContact CG1-CE1 4.1Å; I42-F361 HydrophobicContact CG1-CZ 4.35Å |
| 43 | S | 97.5 | Very high | 97.7 | Very high | 43 Ų | 43 | 37.1 Ų | 37.1 | 30% | 0.301 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 106.7 | 165.5 | 176.8 | 0 | 0 | 0 | 0 | 108.1 | I11 E12 V13 | I11-S43 PolarHBondContact O-N 3.2Å; E12-S43 WeakPolarHBondContact OE1-CB 3.33Å; E12-S43 PolarHBondContact OE1-OG 2.75Å; E12-S43 WeakPolarHBondContact OE2-CB 3.42Å; E12-S43 PolarHBondContact OE2-OG 2.76Å; V13-S43 PolarHBondContact N-O 3.3Å |
| 44 | L | 95.6 | Very high | 97.6 | Very high | 35 Ų | 35 | 40.4 Ų | 40.4 | 18% | 0.183 | 21% | 0.212 | C | C | . | . | trans | -134 | 126.5 | -167.6 | 178.5 | 67 | 0 | 0 | 0 | 111.4 | V13 I17 I38 I42 C46 W342 L346 | V13-L44 HydrophobicContact CB-CD1 3.8Å; V13-L44 HydrophobicContact CG1-CD1 3.76Å; V13-L44 HydrophobicContact CG2-CD1 4.09Å; I17-L44 HydrophobicContact CD1-CD2 4.42Å; I17-L44 HydrophobicContact CG1-CD1 3.9Å; I17-L44 HydrophobicContact CG1-CD2 3.89Å; I17-L44 HydrophobicContact CG1-CG 4.15Å; I17-L44 HydrophobicContact CG2-CD1 4.29Å; I38-L44 HydrophobicContact CG2-CD2 4.46Å; I42-L44 HydrophobicContact CG2-CB 3.93Å; L44-C46 VanDerWaalsContact CD2-SG 3.56Å; L44-C46 PolarHBondContact O-N 3.05Å; L44-W342 HydrophobicContact CD2-CZ3 3.93Å; L44-L346 HydrophobicContact CD1-CD2 4.07Å; L44-L346 HydrophobicContact CD2-CD2 3.8Å | ||
| 45 | N | 96.8 | Very high | 97.7 | Very high | 93 Ų | 93 | 40.7 Ų | 40.7 | 50% | 0.497 | 21% | 0.214 | S | C | . | . | trans | -82.6 | 111.2 | 168.2 | -175.2 | 12.8 | 0 | 0 | 0 | 110.5 | P16 I17 | P16-N45 VanDerWaalsContact CA-O 3.24Å; P16-N45 WeakPolarHBondContact CA-O 3.45Å; P16-N45 HydrophobicContact CB-CB 4.19Å; P16-N45 WeakPolarHBondContact CB-O 3.44Å; I17-N45 PolarHBondContact N-O 3.14Å; I17-N45 VanDerWaalsContact N-O 3.15Å | ||
| 46 | C | 97.6 | Very high | 97.7 | Very high | 28 Ų | 28 | 34.2 Ų | 34.2 | 19% | 0.189 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 115.4 | 177 | -60.2 | 0 | 0 | 0 | 0 | 110.2 | I17 E19 L44 Y48 | I17-C46 HydrophobicContact CD1-CB 4.29Å; E19-C46 HydrophobicContact CB-CB 4.17Å; E19-C46 WeakPolarHBondContact OE2-CB 3.44Å; L44-C46 VanDerWaalsContact CD2-SG 3.56Å; L44-C46 PolarHBondContact O-N 3.05Å; C46-Y48 PolarHBondContact O-N 3.01Å; C46-Y48 VanDerWaalsContact O-N 3.16Å |
| 47 | L | 98.6 | Very high | 97.8 | Very high | 49 Ų | 49 | 33.6 Ų | 33.6 | 26% | 0.257 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 95.4 | 166.7 | -58.6 | 175.1 | 0 | 0 | 0 | 107.9 | P16 I17 V18 E19 F49 H74 | P16-L47 HydrophobicContact CB-CD1 3.99Å; P16-L47 HydrophobicContact CB-CG 3.89Å; P16-L47 HydrophobicContact CG-CD1 3.96Å; P16-L47 HydrophobicContact CG-CG 4.38Å; I17-L47 PolarHBondContact O-N 2.9Å; V18-L47 WeakPolarHBondContact CA-O 3.37Å; V18-L47 HydrophobicContact CG2-CD1 4.49Å; E19-L47 PolarHBondContact N-O 3.49Å; L47-F49 HydrophobicContact CB-CE2 4.43Å; L47-F49 WeakPolarHBondContact O-CD2 3.35Å; L47-H74 WeakPolarHBondContact CD1-CD2 3.49Å; L47-H74 WeakPolarHBondContact CD1-NE2 3.25Å |
| 48 | Y | 98.5 | Very high | 97.8 | Very high | 105 Ų | 105 | 39.8 Ų | 39.8 | 41% | 0.412 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 134.3 | -169.1 | 178.9 | -92.7 | 0 | 0 | 0 | 113 | E19 D21 R27 C46 D50 | E19-Y48 HydrophobicContact CG-CD2 4.29Å; E19-Y48 CarbonylContact O-C 3.54Å; E19-Y48 WeakPolarHBondContact O-CA 3.4Å; D21-Y48 HydrophobicContact CB-CE2 3.55Å; D21-Y48 WeakPolarHBondContact CB-OH 3.38Å; D21-Y48 PolarHBondContact OD2-OH 2.74Å; R27-Y48 PolarHBondContact NH2-OH 2.86Å; C46-Y48 PolarHBondContact O-N 3.01Å; C46-Y48 VanDerWaalsContact O-N 3.16Å; Y48-D50 HydrophobicContact CE1-CB 3.96Å |
| 49 | F | 98.7 | Very high | 97.8 | Very high | 34 Ų | 34 | 41.6 Ų | 41.6 | 15% | 0.149 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 126.1 | 171.7 | -67.7 | -96.4 | 0 | 0 | 0 | 109.4 | V18 E19 L20 D21 L47 L51 V63 E66 A67 C70 | V18-F49 HydrophobicContact CG1-CD2 3.56Å; V18-F49 HydrophobicContact CG1-CE2 3.64Å; E19-F49 PolarHBondContact O-N 3.33Å; L20-F49 WeakPolarHBondContact CA-O 3.33Å; D21-F49 PolarHBondContact N-O 3.28Å; L47-F49 HydrophobicContact CB-CE2 4.43Å; L47-F49 WeakPolarHBondContact O-CD2 3.35Å; F49-L51 HydrophobicContact CB-CD2 4.42Å; F49-L51 PolarHBondContact O-N 3.33Å; F49-V63 HydrophobicContact CB-CG2 4.4Å; F49-V63 HydrophobicContact CD1-CG2 4.04Å; F49-E66 HydrophobicContact CE1-CB 3.9Å; F49-A67 HydrophobicContact CB-CB 3.9Å; F49-A67 HydrophobicContact CD1-CB 3.78Å; F49-A67 HydrophobicContact CD2-CB 4.08Å; F49-A67 HydrophobicContact CE1-CB 4.34Å; F49-A67 HydrophobicContact CG-CB 3.64Å; F49-C70 HydrophobicContact CE2-CB 3.75Å; F49-C70 HydrophobicContact CZ-CB 3.67Å |
| 50 | D | 98.5 | Very high | 97.8 | Very high | 32 Ų | 32 | 43.4 Ų | 43.4 | 17% | 0.171 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 103.6 | 175.7 | -169.2 | -18 | 0 | 0 | 0 | 109.9 | R27 Y48 S52 H55 | R27-D50 IonicContact CZ-OD1 2.77Å; R27-D50 IonicContact CZ-OD2 2.88Å; R27-D50 IonicContact NH1-OD1 3.33Å; R27-D50 PolarHBondContact NH1-OD1 3.33Å; R27-D50 IonicContact NH1-OD2 3.49Å; R27-D50 PolarHBondContact NH1-OD2 2.61Å; R27-D50 IonicContact NH2-OD1 3.52Å; R27-D50 IonicContact NH2-OD2 3.62Å; R27-D50 PolarHBondContact NH2-OD2 2.88Å; Y48-D50 HydrophobicContact CE1-CB 3.96Å; D50-S52 VanDerWaalsContact C-N 3.3Å; D50-S52 WeakPolarHBondContact OD1-CB 3.18Å; D50-S52 PolarHBondContact OD1-N 2.94Å; D50-S52 PolarHBondContact OD1-OG 3.44Å; D50-H55 HydrophobicContact CB-CB 4.42Å; D50-H55 PolarHBondContact O-CD2 3.28Å; D50-H55 VanDerWaalsContact O-CD2 3.23Å |
| 51 | L | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | trans | -94.8 | 20.9 | 175.1 | -55.4 | -164.1 | 0 | 0 | 0 | 113.1 | L20 D21 F49 R56 V63 A67 T82 P102 I106 | L20-L51 HydrophobicContact CB-CD1 4.1Å; L20-L51 HydrophobicContact CB-CG 4.27Å; L20-L51 HydrophobicContact CD2-CD1 3.79Å; L20-L51 HydrophobicContact CG-CD1 4.36Å; D21-L51 WeakPolarHBondContact O-CA 3.4Å; D21-L51 VanDerWaalsContact O-CB 3.24Å; D21-L51 WeakPolarHBondContact O-CB 3.35Å; D21-L51 PolarHBondContact O-N 2.87Å; F49-L51 HydrophobicContact CB-CD2 4.42Å; F49-L51 PolarHBondContact O-N 3.33Å; L51-R56 WeakPolarHBondContact O-CD 3.39Å; L51-V63 HydrophobicContact CD2-CB 4.44Å; L51-V63 HydrophobicContact CD2-CG1 3.87Å; L51-V63 HydrophobicContact CD2-CG2 4.03Å; L51-A67 HydrophobicContact CD2-CB 4.42Å; L51-T82 HydrophobicContact CB-CG2 3.73Å; L51-T82 WeakPolarHBondContact O-CG2 3.42Å; L51-P102 HydrophobicContact CD1-CB 4.34Å; L51-I106 HydrophobicContact CD1-CD1 3.89Å | ||
| 52 | S | 97.7 | Very high | 97.9 | Very high | 14 Ų | 14 | 45.9 Ų | 45.9 | 10% | 0.098 | 24% | 0.238 | C | C | . | . | trans | -59.6 | 146.1 | 170.3 | 63.9 | 0 | 0 | 0 | 0 | 111.2 | D23 D50 P54 H55 R56 | D23-S52 WeakPolarHBondContact OD1-CA 3.26Å; D23-S52 WeakPolarHBondContact OD1-CB 3.49Å; D50-S52 VanDerWaalsContact C-N 3.3Å; D50-S52 WeakPolarHBondContact OD1-CB 3.18Å; D50-S52 PolarHBondContact OD1-N 2.94Å; D50-S52 PolarHBondContact OD1-OG 3.44Å; S52-P54 VanDerWaalsContact C-CD 3.48Å; S52-P54 VanDerWaalsContact C-N 3.34Å; S52-H55 PolarHBondContact O-N 3.37Å; S52-H55 VanDerWaalsContact O-N 3.12Å; S52-R56 WeakPolarHBondContact O-CG 3.32Å; S52-R56 PolarHBondContact O-N 3.03Å | ||
| 53 | L | 97.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -54.7 | -41.4 | -176.8 | -176.2 | 62.8 | 0 | 0 | 0 | 113.5 | D23 D57 I83 P85 F93 L95 | D23-L53 PolarHBondContact OD1-N 2.71Å; L53-D57 PolarHBondContact O-N 3.33Å; L53-I83 HydrophobicContact CB-CB 4.45Å; L53-I83 HydrophobicContact CD2-CB 4.18Å; L53-I83 HydrophobicContact CD2-CD1 4.21Å; L53-I83 HydrophobicContact CD2-CG2 3.87Å; L53-P85 HydrophobicContact CD1-CB 4.25Å; L53-P85 HydrophobicContact CD1-CG 4.01Å; L53-P85 HydrophobicContact CD2-CB 4.3Å; L53-F93 HydrophobicContact CD2-CB 4.33Å; L53-F93 HydrophobicContact CD2-CD1 4.19Å; L53-F93 HydrophobicContact CD2-CD2 3.68Å; L53-F93 HydrophobicContact CD2-CE1 4.41Å; L53-F93 HydrophobicContact CD2-CE2 3.95Å; L53-F93 HydrophobicContact CD2-CG 3.81Å; L53-F93 HydrophobicContact CD2-CZ 4.3Å; L53-L95 HydrophobicContact CD1-CD1 3.94Å; L53-L95 HydrophobicContact CD1-CD2 4.33Å; L53-L95 HydrophobicContact CD2-CD1 4.03Å; L53-L95 HydrophobicContact CD2-CD2 4.34Å; L53-L95 HydrophobicContact CG-CD1 4.15Å; L53-L95 HydrophobicContact CG-CD2 3.97Å |
| 54 | P | 97.6 | Very high | 98 | Very high | 69 Ų | 69 | 43.9 Ų | 43.9 | 45% | 0.448 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -61.5 | -44.5 | 174.7 | -23.7 | 35.3 | 0 | 0 | 0 | 113.8 | S52 D57 E58 F93 | S52-P54 VanDerWaalsContact C-CD 3.48Å; S52-P54 VanDerWaalsContact C-N 3.34Å; P54-D57 PolarHBondContact O-N 3.25Å; P54-E58 WeakPolarHBondContact O-CB 3.45Å; P54-E58 PolarHBondContact O-N 3.2Å; P54-F93 HydrophobicContact CG-CD1 4.06Å; P54-F93 HydrophobicContact CG-CE1 4.19Å |
| 55 | H | 98.4 | Very high | 98.1 | Very high | 58 Ų | 58 | 43.9 Ų | 43.9 | 27% | 0.269 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -72.7 | -34.2 | -178 | -169.5 | 58.8 | 0 | 0 | 0 | 112.2 | D50 S52 E58 T59 | D50-H55 HydrophobicContact CB-CB 4.42Å; D50-H55 PolarHBondContact O-CD2 3.28Å; D50-H55 VanDerWaalsContact O-CD2 3.23Å; S52-H55 PolarHBondContact O-N 3.37Å; S52-H55 VanDerWaalsContact O-N 3.12Å; H55-E58 IonicContact CE1-OE2 3.78Å; H55-E58 IonicContact ND1-OE2 3.8Å; H55-E58 PolarHBondContact ND1-OE2 2.75Å; H55-E58 WeakPolarHBondContact O-CB 3.37Å; H55-E58 PolarHBondContact O-N 3.46Å; H55-T59 WeakPolarHBondContact O-CB 3.43Å; H55-T59 WeakPolarHBondContact O-CG2 3.36Å; H55-T59 PolarHBondContact O-N 3.47Å; H55-T59 PolarHBondContact O-OG1 2.87Å |
| 56 | R | 98.3 | Very high | 98.2 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.6 | -44.3 | 169.5 | -70.5 | 175 | 57.4 | -143.4 | -4.5 | 111.6 | L51 S52 T59 N60 D61 V63 I83 L100 | L51-R56 WeakPolarHBondContact O-CD 3.39Å; S52-R56 WeakPolarHBondContact O-CG 3.32Å; S52-R56 PolarHBondContact O-N 3.03Å; R56-T59 PolarHBondContact O-N 3.49Å; R56-T59 PolarHBondContact O-OG1 2.79Å; R56-N60 CarbonylContact O-C 3.58Å; R56-N60 PolarHBondContact O-N 2.77Å; R56-N60 VanDerWaalsContact O-N 3.16Å; R56-D61 IonicContact CZ-OD1 3.02Å; R56-D61 IonicContact CZ-OD2 2.71Å; R56-D61 IonicContact NE-OD1 3.6Å; R56-D61 PolarHBondContact NE-OD1 3.13Å; R56-D61 IonicContact NE-OD2 2.73Å; R56-D61 IonicContact NH2-OD1 3.25Å; R56-D61 PolarHBondContact NH2-OD1 3.45Å; R56-D61 IonicContact NH2-OD2 3.18Å; R56-D61 PolarHBondContact NH2-OD2 3.42Å; R56-D61 WeakPolarHBondContact O-CA 3.48Å; R56-D61 PolarHBondContact O-N 3.02Å; R56-V63 HydrophobicContact CG-CG1 3.86Å; R56-I83 PolarHBondContact NH1-O 3.12Å; R56-L100 PolarHBondContact NH2-O 2.92Å |
| 57 | D | 98.4 | Very high | 98.2 | Very high | 21 Ų | 21 | 43.2 Ų | 43.2 | 11% | 0.112 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.1 | -44.9 | 175.2 | -173.4 | 83.8 | 0 | 0 | 0 | 111.6 | L53 P54 T59 N60 L95 K96 W99 | L53-D57 PolarHBondContact O-N 3.33Å; P54-D57 PolarHBondContact O-N 3.25Å; D57-T59 PolarHBondContact O-N 3.04Å; D57-N60 PolarHBondContact O-N 3.26Å; D57-L95 HydrophobicContact CB-CD2 3.95Å; D57-K96 WeakPolarHBondContact O-CE 3.28Å; D57-K96 PolarHBondContact O-NZ 3.36Å; D57-K96 WeakPolarHBondContact OD1-CB 3.26Å; D57-K96 PolarHBondContact OD1-N 2.88Å; D57-K96 WeakPolarHBondContact OD2-CE 2.97Å; D57-K96 WeakPolarHBondContact OD2-CG 3.31Å; D57-W99 PolarHBondContact OD1-NE1 3.25Å |
| 58 | E | 98.3 | Very high | 98.2 | Very high | 130 Ų | 130 | 40.9 Ų | 40.9 | 61% | 0.607 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -54.1 | -50.4 | 177.2 | -176.1 | -178.1 | -167.6 | 0 | 0 | 111.9 | P54 H55 N60 K96 | P54-E58 WeakPolarHBondContact O-CB 3.45Å; P54-E58 PolarHBondContact O-N 3.2Å; H55-E58 IonicContact CE1-OE2 3.78Å; H55-E58 IonicContact ND1-OE2 3.8Å; H55-E58 PolarHBondContact ND1-OE2 2.75Å; H55-E58 WeakPolarHBondContact O-CB 3.37Å; H55-E58 PolarHBondContact O-N 3.46Å; E58-N60 VanDerWaalsContact C-N 3.27Å; E58-N60 PolarHBondContact O-N 3.48Å; E58-K96 PolarHBondContact O-NZ 3.36Å |
| 59 | T | 98.2 | Very high | 98.2 | Very high | 39 Ų | 39 | 41.9 Ų | 41.9 | 24% | 0.239 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | 5.4 | -177 | 59.5 | 0 | 0 | 0 | 0 | 114.3 | H55 R56 D57 D61 E62 V63 | H55-T59 WeakPolarHBondContact O-CB 3.43Å; H55-T59 WeakPolarHBondContact O-CG2 3.36Å; H55-T59 PolarHBondContact O-N 3.47Å; H55-T59 PolarHBondContact O-OG1 2.87Å; R56-T59 PolarHBondContact O-N 3.49Å; R56-T59 PolarHBondContact O-OG1 2.79Å; D57-T59 PolarHBondContact O-N 3.04Å; T59-D61 PolarHBondContact O-N 2.92Å; T59-E62 WeakPolarHBondContact O-CB 3.44Å; T59-E62 WeakPolarHBondContact O-CG 3.19Å; T59-E62 PolarHBondContact O-N 3.33Å; T59-V63 HydrophobicContact CG2-CB 4.36Å; T59-V63 WeakPolarHBondContact OG1-CG1 3.45Å |
| 60 | N | 97.8 | Very high | 98.2 | Very high | 90 Ų | 90 | 41.3 Ų | 41.3 | 48% | 0.481 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.6 | 32.9 | -171.4 | -53.3 | -52.5 | 0 | 0 | 0 | 113.9 | R56 D57 E58 E62 K96 W99 | R56-N60 CarbonylContact O-C 3.58Å; R56-N60 PolarHBondContact O-N 2.77Å; R56-N60 VanDerWaalsContact O-N 3.16Å; D57-N60 PolarHBondContact O-N 3.26Å; E58-N60 VanDerWaalsContact C-N 3.27Å; E58-N60 PolarHBondContact O-N 3.48Å; N60-E62 PolarHBondContact O-N 3.39Å; N60-K96 PolarHBondContact OD1-NZ 3.14Å; N60-W99 VanDerWaalsContact C-CH2 3.49Å; N60-W99 VanDerWaalsContact C-CZ3 3.45Å; N60-W99 HydrophobicContact CB-CH2 3.73Å; N60-W99 HydrophobicContact CB-CZ3 4.38Å; N60-W99 VanDerWaalsContact O-CZ3 3.25Å; N60-W99 WeakPolarHBondContact O-CZ3 3.34Å |
| 61 | D | 97.3 | Very high | 98.2 | Very high | 14 Ų | 14 | 39.8 Ų | 39.8 | 8% | 0.075 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.7 | 10.2 | -178.1 | -149.5 | 20.4 | 0 | 0 | 0 | 115.1 | R56 T59 V63 T64 W99 | R56-D61 IonicContact CZ-OD1 3.02Å; R56-D61 IonicContact CZ-OD2 2.71Å; R56-D61 IonicContact NE-OD1 3.6Å; R56-D61 PolarHBondContact NE-OD1 3.13Å; R56-D61 IonicContact NE-OD2 2.73Å; R56-D61 IonicContact NH2-OD1 3.25Å; R56-D61 PolarHBondContact NH2-OD1 3.45Å; R56-D61 IonicContact NH2-OD2 3.18Å; R56-D61 PolarHBondContact NH2-OD2 3.42Å; R56-D61 WeakPolarHBondContact O-CA 3.48Å; R56-D61 PolarHBondContact O-N 3.02Å; T59-D61 PolarHBondContact O-N 2.92Å; D61-V63 PolarHBondContact O-N 2.79Å; D61-T64 WeakPolarHBondContact O-CB 3.5Å; D61-T64 PolarHBondContact O-N 3Å; D61-T64 WeakPolarHBondContact OD1-CB 3.42Å; D61-T64 PolarHBondContact OD1-OG1 3.27Å; D61-W99 HydrophobicContact CB-CD2 4.31Å; D61-W99 HydrophobicContact CB-CE3 3.62Å; D61-W99 HydrophobicContact CB-CZ3 3.86Å |
| 62 | E | 98.2 | Very high | 98.2 | Very high | 106 Ų | 106 | 43.3 Ų | 43.3 | 50% | 0.495 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -61.5 | -32.7 | 174.8 | -69.6 | -61.4 | 147.1 | 0 | 0 | 111.8 | T59 N60 T64 V65 E66 | T59-E62 WeakPolarHBondContact O-CB 3.44Å; T59-E62 WeakPolarHBondContact O-CG 3.19Å; T59-E62 PolarHBondContact O-N 3.33Å; N60-E62 PolarHBondContact O-N 3.39Å; E62-T64 PolarHBondContact O-N 3.08Å; E62-V65 WeakPolarHBondContact O-CA 3.41Å; E62-V65 WeakPolarHBondContact O-CB 3.21Å; E62-V65 PolarHBondContact O-N 3.48Å; E62-E66 WeakPolarHBondContact O-CG 3.43Å; E62-E66 PolarHBondContact O-N 3.3Å |
| 63 | V | 98.6 | Very high | 98.2 | Very high | 5 Ų | 5 | 50.1 Ų | 50.1 | 3% | 0.03 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -55.8 | -35.2 | 176 | 68.3 | 0 | 0 | 0 | 0 | 112.5 | F49 L51 R56 T59 D61 A67 | F49-V63 HydrophobicContact CB-CG2 4.4Å; F49-V63 HydrophobicContact CD1-CG2 4.04Å; L51-V63 HydrophobicContact CD2-CB 4.44Å; L51-V63 HydrophobicContact CD2-CG1 3.87Å; L51-V63 HydrophobicContact CD2-CG2 4.03Å; R56-V63 HydrophobicContact CG-CG1 3.86Å; T59-V63 HydrophobicContact CG2-CB 4.36Å; T59-V63 WeakPolarHBondContact OG1-CG1 3.45Å; D61-V63 PolarHBondContact O-N 2.79Å; V63-A67 VanDerWaalsContact O-CB 3.3Å; V63-A67 WeakPolarHBondContact O-CB 3.04Å; V63-A67 PolarHBondContact O-N 3.39Å |
| 64 | T | 98.3 | Very high | 98.2 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -68.5 | -39 | 177.3 | -59.9 | 0 | 0 | 0 | 0 | 111.2 | D61 E62 A68 P102 T105 I106 | D61-T64 WeakPolarHBondContact O-CB 3.5Å; D61-T64 PolarHBondContact O-N 3Å; D61-T64 WeakPolarHBondContact OD1-CB 3.42Å; D61-T64 PolarHBondContact OD1-OG1 3.27Å; E62-T64 PolarHBondContact O-N 3.08Å; T64-A68 PolarHBondContact O-N 2.94Å; T64-A68 VanDerWaalsContact O-N 3.12Å; T64-P102 HydrophobicContact CG2-CB 4.14Å; T64-T105 HydrophobicContact CG2-CG2 3.72Å; T64-I106 HydrophobicContact CG2-CD1 4.31Å; T64-I106 HydrophobicContact CG2-CG1 3.93Å |
| 65 | V | 98.3 | Very high | 98.2 | Very high | 34 Ų | 34 | 50.5 Ų | 50.5 | 21% | 0.206 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -69.6 | -42.8 | 177.3 | 177.7 | 0 | 0 | 0 | 0 | 110.6 | E62 A68 K69 T105 I109 | E62-V65 WeakPolarHBondContact O-CA 3.41Å; E62-V65 WeakPolarHBondContact O-CB 3.21Å; E62-V65 PolarHBondContact O-N 3.48Å; V65-A68 PolarHBondContact O-N 3.1Å; V65-K69 HydrophobicContact CG1-CD 4.21Å; V65-K69 WeakPolarHBondContact O-CG 3.47Å; V65-K69 PolarHBondContact O-N 3.14Å; V65-T105 HydrophobicContact CG2-CG2 4.08Å; V65-I109 HydrophobicContact CB-CD1 4.23Å; V65-I109 HydrophobicContact CG1-CD1 3.97Å; V65-I109 HydrophobicContact CG2-CD1 4.19Å |
| 66 | E | 98.6 | Very high | 98.2 | Very high | 108 Ų | 108 | 47.8 Ų | 47.8 | 51% | 0.505 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -61.8 | -45.1 | 176 | -69.5 | 177.9 | 162.4 | 0 | 0 | 111.6 | F49 E62 A68 K69 C70 | F49-E66 HydrophobicContact CE1-CB 3.9Å; E62-E66 WeakPolarHBondContact O-CG 3.43Å; E62-E66 PolarHBondContact O-N 3.3Å; E66-A68 PolarHBondContact O-N 3.29Å; E66-K69 PolarHBondContact O-N 3.4Å; E66-C70 WeakPolarHBondContact O-CB 3.3Å; E66-C70 PolarHBondContact O-N 3.47Å |
| 67 | A | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58.8 | -46.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | L20 F49 L51 V63 K69 C70 I71 | L20-A67 HydrophobicContact CD2-CB 3.79Å; L20-A67 HydrophobicContact CG-CB 4.08Å; F49-A67 HydrophobicContact CB-CB 3.9Å; F49-A67 HydrophobicContact CD1-CB 3.78Å; F49-A67 HydrophobicContact CD2-CB 4.08Å; F49-A67 HydrophobicContact CE1-CB 4.34Å; F49-A67 HydrophobicContact CG-CB 3.64Å; L51-A67 HydrophobicContact CD2-CB 4.42Å; V63-A67 VanDerWaalsContact O-CB 3.3Å; V63-A67 WeakPolarHBondContact O-CB 3.04Å; V63-A67 PolarHBondContact O-N 3.39Å; A67-K69 PolarHBondContact O-N 2.94Å; A67-C70 WeakPolarHBondContact O-CB 3.36Å; A67-C70 PolarHBondContact O-N 3.45Å; A67-I71 WeakPolarHBondContact O-CG1 3.23Å; A67-I71 PolarHBondContact O-N 2.87Å |
| 68 | A | 98.2 | Very high | 98.2 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.8 | -41.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | T64 V65 E66 C70 I71 L72 I106 I109 | T64-A68 PolarHBondContact O-N 2.94Å; T64-A68 VanDerWaalsContact O-N 3.12Å; V65-A68 PolarHBondContact O-N 3.1Å; E66-A68 PolarHBondContact O-N 3.29Å; A68-C70 VanDerWaalsContact C-N 3.31Å; A68-C70 PolarHBondContact O-N 2.74Å; A68-I71 PolarHBondContact O-N 3.35Å; A68-L72 PolarHBondContact O-N 2.8Å; A68-I106 HydrophobicContact CB-CG1 4.25Å; A68-I109 HydrophobicContact CB-CB 3.84Å; A68-I109 HydrophobicContact CB-CD1 3.72Å; A68-I109 HydrophobicContact CB-CG1 4.39Å; A68-I109 HydrophobicContact CB-CG2 3.69Å |
| 69 | K | 98.4 | Very high | 98.2 | Very high | 126 Ų | 126 | 40.6 Ų | 40.6 | 55% | 0.548 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -64.6 | -36 | 173.8 | -71.7 | 171 | -179.5 | 168.4 | 0 | 112 | V65 E66 A67 L72 K73 | V65-K69 HydrophobicContact CG1-CD 4.21Å; V65-K69 WeakPolarHBondContact O-CG 3.47Å; V65-K69 PolarHBondContact O-N 3.14Å; E66-K69 PolarHBondContact O-N 3.4Å; A67-K69 PolarHBondContact O-N 2.94Å; K69-L72 PolarHBondContact O-N 3.04Å; K69-K73 PolarHBondContact O-N 3.5Å; K69-K73 VanDerWaalsContact O-N 3.14Å |
| 70 | C | 98.6 | Very high | 98.2 | Very high | 21 Ų | 21 | 38.7 Ų | 38.7 | 14% | 0.142 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -65.6 | -40.8 | 175 | -162.4 | 0 | 0 | 0 | 0 | 111.2 | V18 F49 E66 A67 A68 L72 K73 H74 | V18-C70 HydrophobicContact CG1-CB 4.19Å; V18-C70 HydrophobicContact CG2-CB 4.12Å; F49-C70 HydrophobicContact CE2-CB 3.75Å; F49-C70 HydrophobicContact CZ-CB 3.67Å; E66-C70 WeakPolarHBondContact O-CB 3.3Å; E66-C70 PolarHBondContact O-N 3.47Å; A67-C70 WeakPolarHBondContact O-CB 3.36Å; A67-C70 PolarHBondContact O-N 3.45Å; A68-C70 VanDerWaalsContact C-N 3.31Å; A68-C70 PolarHBondContact O-N 2.74Å; C70-L72 PolarHBondContact O-N 2.85Å; C70-K73 WeakPolarHBondContact O-CB 3.37Å; C70-K73 PolarHBondContact O-N 3.44Å; C70-K73 VanDerWaalsContact O-N 3.13Å; C70-H74 PolarHBondContact O-CD2 3.16Å; C70-H74 PolarHBondContact O-N 2.92Å |
| 71 | I | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -59.7 | -46.6 | 173.1 | -66.4 | 167.3 | 0 | 0 | 0 | 110.2 | V18 L20 A67 A68 K73 H74 N75 I106 L110 T308 E310 | V18-I71 HydrophobicContact CB-CG1 3.85Å; V18-I71 HydrophobicContact CG1-CG1 4.03Å; V18-I71 HydrophobicContact CG2-CG1 4.11Å; L20-I71 HydrophobicContact CD1-CD1 3.85Å; L20-I71 HydrophobicContact CD1-CG1 4.26Å; L20-I71 HydrophobicContact CD2-CD1 3.95Å; A67-I71 WeakPolarHBondContact O-CG1 3.23Å; A67-I71 PolarHBondContact O-N 2.87Å; A68-I71 PolarHBondContact O-N 3.35Å; I71-K73 PolarHBondContact O-N 2.87Å; I71-H74 PolarHBondContact O-N 3.39Å; I71-N75 VanDerWaalsContact O-CA 3.26Å; I71-N75 WeakPolarHBondContact O-CA 3.49Å; I71-N75 PolarHBondContact O-N 2.88Å; I71-I106 HydrophobicContact CD1-CG2 4.33Å; I71-L110 HydrophobicContact CB-CD2 4.08Å; I71-L110 HydrophobicContact CD1-CD1 4.29Å; I71-L110 HydrophobicContact CG2-CD1 3.93Å; I71-L110 HydrophobicContact CG2-CD2 3.82Å; I71-T308 HydrophobicContact CG2-CG2 3.71Å; I71-E310 HydrophobicContact CD1-CB 4.42Å; I71-E310 HydrophobicContact CD1-CG 4.18Å |
| 72 | L | 97.4 | Very high | 98.1 | Very high | 75 Ų | 75 | 34.7 Ų | 34.7 | 39% | 0.393 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -57.1 | -34.8 | 176.1 | -70.9 | 173 | 0 | 0 | 0 | 112.6 | A68 K69 C70 I109 L110 T308 | A68-L72 PolarHBondContact O-N 2.8Å; K69-L72 PolarHBondContact O-N 3.04Å; C70-L72 PolarHBondContact O-N 2.85Å; L72-I109 HydrophobicContact CD1-CG2 3.87Å; L72-L110 HydrophobicContact CD2-CD2 3.6Å; L72-L110 HydrophobicContact CG-CD2 3.63Å; L72-T308 HydrophobicContact CD2-CG2 4.42Å |
| 73 | K | 98 | Very high | 98 | Very high | 157 Ų | 157 | 30 Ų | 30 | 68% | 0.683 | 15% | 0.145 | S | C | * | . | H | α-helix | trans | -75.2 | -39.5 | 178.9 | -175.4 | -179.5 | 174.8 | -172.1 | 0 | 112.8 | K69 C70 I71 | K69-K73 PolarHBondContact O-N 3.5Å; K69-K73 VanDerWaalsContact O-N 3.14Å; C70-K73 WeakPolarHBondContact O-CB 3.37Å; C70-K73 PolarHBondContact O-N 3.44Å; C70-K73 VanDerWaalsContact O-N 3.13Å; I71-K73 PolarHBondContact O-N 2.87Å |
| 74 | H | 98.2 | Very high | 97.7 | Very high | 46 Ų | 46 | 33.4 Ų | 33.4 | 21% | 0.213 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -106.2 | -2.5 | -171.7 | -67.7 | -74.8 | 0 | 0 | 0 | 114.4 | P16 V18 L47 C70 I71 V76 R349 | P16-H74 WeakPolarHBondContact CG-ND1 3.43Å; V18-H74 HydrophobicContact CG2-CB 4.1Å; L47-H74 WeakPolarHBondContact CD1-CD2 3.49Å; L47-H74 WeakPolarHBondContact CD1-NE2 3.25Å; C70-H74 PolarHBondContact O-CD2 3.16Å; C70-H74 PolarHBondContact O-N 2.92Å; I71-H74 PolarHBondContact O-N 3.39Å; H74-V76 PolarHBondContact O-N 2.96Å; H74-V76 VanDerWaalsContact O-N 3.09Å; H74-R349 PolarHBondContact O-NH2 3.14Å |
| 75 | N | 97.9 | Very high | 97.6 | Very high | 31 Ų | 31 | 33.7 Ų | 33.7 | 17% | 0.166 | 17% | 0.168 | C | C | . | . | S | Bend | trans | 67.4 | -9.3 | 173.9 | -54 | -94.6 | 0 | 0 | 0 | 116.3 | I71 T308 I309 L352 | I71-N75 VanDerWaalsContact O-CA 3.26Å; I71-N75 WeakPolarHBondContact O-CA 3.49Å; I71-N75 PolarHBondContact O-N 2.88Å; N75-T308 CarbonylContact O-C 3.59Å; N75-T308 VanDerWaalsContact O-CA 3.3Å; N75-T308 WeakPolarHBondContact O-CA 3.41Å; N75-T308 PolarHBondContact OD1-OG1 3.36Å; N75-I309 PolarHBondContact O-N 3.14Å; N75-L352 HydrophobicContact CB-CD1 3.84Å |
| 76 | V | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 113.7 | -177.7 | 176.7 | 0 | 0 | 0 | 0 | 110.7 | I17 V18 H74 I78 G345 R349 L352 | I17-V76 HydrophobicContact CB-CB 4.39Å; I17-V76 HydrophobicContact CB-CG1 3.96Å; I17-V76 HydrophobicContact CG2-CB 3.99Å; I17-V76 HydrophobicContact CG2-CG1 3.57Å; V18-V76 PolarHBondContact N-O 3.37Å; H74-V76 PolarHBondContact O-N 2.96Å; H74-V76 VanDerWaalsContact O-N 3.09Å; V76-I78 HydrophobicContact CG1-CG1 4.14Å; V76-G345 WeakPolarHBondContact CG1-O 3.36Å; V76-R349 HydrophobicContact CG2-CB 4.15Å; V76-L352 HydrophobicContact CG2-CD1 4.2Å |
| 77 | G | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 136.6 | 166.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | V18 I309 E310 S311 | V18-G77 CarbonylContact O-C 3.57Å; V18-G77 WeakPolarHBondContact O-CA 3.14Å; G77-I309 PolarHBondContact N-O 3.4Å; G77-E310 CarbonylContact O-C 3.56Å; G77-E310 WeakPolarHBondContact O-CA 3.35Å; G77-S311 PolarHBondContact O-N 3.39Å; G77-S311 PolarHBondContact O-OG 3.21Å; G77-S311 VanDerWaalsContact O-OG 3.1Å |
| 78 | I | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 116.8 | 173.4 | -49.1 | -170.4 | 0 | 0 | 0 | 107.5 | I17 V18 E19 L20 W30 V76 W342 L346 | I17-I78 HydrophobicContact CB-CD1 4.42Å; I17-I78 HydrophobicContact CD1-CD1 4.12Å; I17-I78 HydrophobicContact CD1-CG1 4.28Å; I17-I78 HydrophobicContact CG1-CD1 4.17Å; V18-I78 PolarHBondContact O-N 3.36Å; E19-I78 WeakPolarHBondContact CA-O 3.26Å; L20-I78 PolarHBondContact N-O 2.88Å; W30-I78 HydrophobicContact CH2-CG2 3.62Å; W30-I78 HydrophobicContact CZ2-CB 4.49Å; W30-I78 HydrophobicContact CZ2-CG2 3.67Å; V76-I78 HydrophobicContact CG1-CG1 4.14Å; I78-W342 HydrophobicContact CD1-CE3 3.77Å; I78-W342 HydrophobicContact CD1-CZ3 4.06Å; I78-W342 HydrophobicContact CG2-CD2 3.98Å; I78-W342 HydrophobicContact CG2-CE3 4.12Å; I78-W342 HydrophobicContact CG2-CG 4.18Å; I78-L346 HydrophobicContact CD1-CD2 4.34Å; I78-L346 HydrophobicContact CD1-CG 4.04Å |
| 79 | K | 98.2 | Very high | 97 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 131 | -163.1 | 176.5 | -178 | 168.2 | -64 | 0 | 112.9 | L20 W30 N103 I106 E310 S311 E312 | L20-K79 HydrophobicContact CB-CB 3.95Å; L20-K79 HydrophobicContact CB-CG 3.91Å; L20-K79 HydrophobicContact CD2-CD 4.36Å; L20-K79 HydrophobicContact CD2-CG 4.44Å; L20-K79 WeakPolarHBondContact O-CA 3.22Å; W30-K79 VanDerWaalsContact CH2-C 3.5Å; W30-K79 WeakPolarHBondContact CH2-O 3.19Å; K79-N103 WeakPolarHBondContact CE-OD1 3.42Å; K79-N103 PolarHBondContact NZ-OD1 3.46Å; K79-I106 HydrophobicContact CD-CD1 3.8Å; K79-E310 HydrophobicContact CB-CG 4.37Å; K79-E310 WeakPolarHBondContact CB-OE1 3.17Å; K79-S311 PolarHBondContact N-O 3.34Å; K79-E312 HydrophobicContact CB-CB 4.18Å; K79-E312 HydrophobicContact CG-CB 4.43Å; K79-E312 IonicContact NZ-OE2 3.73Å; K79-E312 PolarHBondContact NZ-OE2 3.35Å; K79-E312 WeakPolarHBondContact O-CA 3.13Å |
| 80 | C | 97.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | trans | -77.7 | 158.6 | 169.4 | -171.1 | 0 | 0 | 0 | 0 | 111.4 | L20 T26 W30 | L20-C80 WeakPolarHBondContact O-CB 3.15Å; L20-C80 PolarHBondContact O-N 3.39Å; T26-C80 VanDerWaalsContact C-SG 3.6Å; W30-C80 HydrophobicContact CB-CB 4.44Å; W30-C80 HydrophobicContact CD2-CB 3.67Å; W30-C80 HydrophobicContact CE3-CB 3.92Å; W30-C80 HydrophobicContact CG-CB 3.93Å; W30-C80 HydrophobicContact CZ2-CB 4.38Å; W30-C80 HydrophobicContact CZ3-CB 4.37Å | ||
| 81 | A | 95.9 | Very high | 96.9 | Very high | 4 Ų | 4 | 42.1 Ų | 42.1 | 3% | 0.033 | 23% | 0.229 | C | C | . | . | trans | -68.8 | 140.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | G22 D23 T26 T317 | G22-A81 WeakPolarHBondContact CA-O 3.36Å; D23-A81 PolarHBondContact N-O 3.07Å; T26-A81 HydrophobicContact CG2-CB 3.98Å; A81-T317 HydrophobicContact CB-CG2 4.07Å | ||
| 82 | T | 96.7 | Very high | 96.8 | Very high | 15 Ų | 15 | 46.2 Ų | 46.2 | 9% | 0.092 | 25% | 0.248 | C | C | . | . | trans | -127.6 | 152.5 | -175.9 | 49.2 | 0 | 0 | 0 | 0 | 111.3 | D23 L51 P102 | D23-T82 WeakPolarHBondContact OD2-CA 3.27Å; L51-T82 HydrophobicContact CB-CG2 3.73Å; L51-T82 WeakPolarHBondContact O-CG2 3.42Å; T82-P102 HydrophobicContact CG2-CG 4.43Å; T82-P102 WeakPolarHBondContact OG1-CG 3.46Å | ||
| 83 | I | 95.3 | Very high | 96.7 | Very high | 8 Ų | 8 | 45.8 Ų | 45.8 | 4% | 0.041 | 24% | 0.243 | C | C | . | . | trans | -75.2 | 129.3 | 175.8 | -63.6 | 170 | 0 | 0 | 0 | 109.2 | D23 E24 L53 R56 R89 F93 T317 | D23-I83 HydrophobicContact CB-CD1 3.9Å; D23-I83 HydrophobicContact CB-CG1 3.71Å; D23-I83 PolarHBondContact OD2-N 3.48Å; E24-I83 HydrophobicContact CG-CD1 3.93Å; L53-I83 HydrophobicContact CB-CB 4.45Å; L53-I83 HydrophobicContact CD2-CB 4.18Å; L53-I83 HydrophobicContact CD2-CD1 4.21Å; L53-I83 HydrophobicContact CD2-CG2 3.87Å; R56-I83 PolarHBondContact NH1-O 3.12Å; I83-R89 HydrophobicContact CG2-CG 4.33Å; I83-F93 HydrophobicContact CD1-CE2 4.14Å; I83-F93 HydrophobicContact CD1-CZ 3.96Å; I83-T317 HydrophobicContact CG1-CG2 4Å | ||
| 84 | T | 94.1 | Very high | 96.7 | Very high | 76 Ų | 76 | 45.1 Ų | 45.1 | 47% | 0.466 | 25% | 0.247 | S | C | . | . | trans | -95.1 | 111.1 | 155.6 | -56.8 | 0 | 0 | 0 | 0 | 106.9 | S101 | T84-S101 WeakPolarHBondContact OG1-CA 3.49Å; T84-S101 WeakPolarHBondContact OG1-CB 3.38Å; T84-S101 PolarHBondContact OG1-OG 3.28Å; T84-S101 VanDerWaalsContact OG1-OG 3.05Å | ||
| 85 | P | 95 | Very high | 96.7 | Very high | 6 Ų | 6 | 43.6 Ų | 43.6 | 4% | 0.039 | 24% | 0.24 | C | C | . | . | trans | -71.1 | 135.4 | -169.8 | 28.4 | -35.4 | 0 | 0 | 0 | 111.8 | L53 R89 V90 L95 M98 W99 | L53-P85 HydrophobicContact CD1-CB 4.25Å; L53-P85 HydrophobicContact CD1-CG 4.01Å; L53-P85 HydrophobicContact CD2-CB 4.3Å; P85-R89 HydrophobicContact CB-CB 3.92Å; P85-V90 HydrophobicContact CB-CG2 4.42Å; P85-L95 HydrophobicContact CB-CD1 3.67Å; P85-L95 HydrophobicContact CG-CD1 4Å; P85-M98 HydrophobicContact CG-CG 4.39Å; P85-M98 VanDerWaalsContact O-CG 3.23Å; P85-M98 WeakPolarHBondContact O-CG 3.49Å; P85-W99 WeakPolarHBondContact CD-O 3.36Å; P85-W99 HydrophobicContact CG-CB 4.15Å; P85-W99 WeakPolarHBondContact CG-O 3.41Å | ||
| 86 | D | 93.9 | Very high | 96.7 | Very high | 84 Ų | 84 | 47.9 Ų | 47.9 | 45% | 0.449 | 26% | 0.257 | S | S | . | . | trans | -95.6 | -176.9 | 163.3 | 66 | 19.8 | 0 | 0 | 0 | 110.6 | A88 R89 V90 | D86-A88 PolarHBondContact O-N 2.89Å; D86-A88 WeakPolarHBondContact OD1-CA 3.45Å; D86-A88 WeakPolarHBondContact OD1-CB 3.28Å; D86-A88 PolarHBondContact OD1-N 3.12Å; D86-R89 PolarHBondContact O-N 3.27Å; D86-R89 VanDerWaalsContact O-N 3.16Å; D86-R89 WeakPolarHBondContact OD1-CG 3.42Å; D86-R89 PolarHBondContact OD1-N 3Å; D86-V90 WeakPolarHBondContact O-CG2 3.36Å; D86-V90 PolarHBondContact O-N 3.03Å | ||
| 87 | A | 95.4 | Very high | 96.5 | Very high | 71 Ų | 71 | 53.6 Ų | 53.6 | 59% | 0.587 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -59.5 | -32.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | K91 M98 | A87-K91 PolarHBondContact O-N 3.31Å; A87-M98 HydrophobicContact CB-CE 4.12Å |
| 88 | A | 96 | Very high | 96.4 | Very high | 64 Ų | 64 | 58.7 Ų | 58.7 | 53% | 0.529 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -71.3 | -41.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111 | D86 K91 E92 | D86-A88 PolarHBondContact O-N 2.89Å; D86-A88 WeakPolarHBondContact OD1-CA 3.45Å; D86-A88 WeakPolarHBondContact OD1-CB 3.28Å; D86-A88 PolarHBondContact OD1-N 3.12Å; A88-K91 PolarHBondContact O-N 3.38Å; A88-E92 WeakPolarHBondContact O-CB 3.45Å; A88-E92 PolarHBondContact O-N 3.28Å |
| 89 | R | 95.8 | Very high | 96.2 | Very high | 33 Ų | 33 | 59.5 Ų | 59.5 | 13% | 0.125 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -68 | -36.4 | 176.4 | -61.8 | -46.2 | -169.5 | 134.2 | 21.7 | 112.9 | E24 I83 P85 D86 K91 E92 F93 T319 | E24-R89 IonicContact OE1-CZ 3.65Å; E24-R89 IonicContact OE1-NH1 3.45Å; E24-R89 PolarHBondContact OE1-NH1 2.55Å; E24-R89 IonicContact OE1-NH2 3.6Å; E24-R89 PolarHBondContact OE1-NH2 2.89Å; E24-R89 IonicContact OE2-NH2 2.61Å; I83-R89 HydrophobicContact CG2-CG 4.33Å; P85-R89 HydrophobicContact CB-CB 3.92Å; D86-R89 PolarHBondContact O-N 3.27Å; D86-R89 VanDerWaalsContact O-N 3.16Å; D86-R89 WeakPolarHBondContact OD1-CG 3.42Å; D86-R89 PolarHBondContact OD1-N 3Å; R89-K91 VanDerWaalsContact C-N 3.27Å; R89-K91 PolarHBondContact O-N 3.45Å; R89-E92 WeakPolarHBondContact CD-OE2 3.43Å; R89-E92 IonicContact CZ-OE2 2.78Å; R89-E92 IonicContact NE-OE2 3.14Å; R89-E92 IonicContact NH1-OE1 2.96Å; R89-E92 PolarHBondContact NH1-OE1 2.86Å; R89-E92 IonicContact NH1-OE2 2.91Å; R89-E92 PolarHBondContact NH1-OE2 3.34Å; R89-E92 PolarHBondContact O-N 3.23Å; R89-F93 HydrophobicContact CB-CD2 4.44Å; R89-F93 WeakPolarHBondContact O-CD2 3.22Å; R89-F93 PolarHBondContact O-N 3.18Å; R89-T319 PolarHBondContact NH2-OG1 2.57Å |
| 90 | V | 97.1 | Very high | 95.9 | Very high | 34 Ų | 34 | 65.5 Ų | 65.5 | 21% | 0.206 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -55.2 | -46.3 | 171.6 | 170.4 | 0 | 0 | 0 | 0 | 110.6 | P85 D86 N94 L95 M98 | P85-V90 HydrophobicContact CB-CG2 4.42Å; D86-V90 WeakPolarHBondContact O-CG2 3.36Å; D86-V90 PolarHBondContact O-N 3.03Å; V90-N94 WeakPolarHBondContact O-CA 3.29Å; V90-N94 PolarHBondContact O-N 3.03Å; V90-N94 VanDerWaalsContact O-N 3.08Å; V90-L95 HydrophobicContact CB-CD1 4.49Å; V90-L95 HydrophobicContact CG1-CB 4.35Å; V90-L95 HydrophobicContact CG2-CD1 4.08Å; V90-L95 PolarHBondContact O-N 3.08Å; V90-M98 HydrophobicContact CG2-CB 3.79Å; V90-M98 HydrophobicContact CG2-CE 4.13Å; V90-M98 HydrophobicContact CG2-CG 4.04Å |
| 91 | K | 97.3 | Very high | 95.6 | Very high | 180 Ų | 180 | 67.2 Ų | 67.2 | 78% | 0.783 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -69.2 | -43.1 | 177.3 | -175.2 | 178.7 | 178.6 | -179.8 | 0 | 112.5 | A87 A88 R89 N94 | A87-K91 PolarHBondContact O-N 3.31Å; A88-K91 PolarHBondContact O-N 3.38Å; R89-K91 VanDerWaalsContact C-N 3.27Å; R89-K91 PolarHBondContact O-N 3.45Å; K91-N94 PolarHBondContact O-N 3.45Å |
| 92 | E | 96.7 | Very high | 95.5 | Very high | 87 Ų | 87 | 67 Ų | 67 | 41% | 0.407 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61.6 | -46.5 | -177.9 | -172.7 | -163.6 | 148.9 | 0 | 0 | 112.3 | A88 R89 R323 | A88-E92 WeakPolarHBondContact O-CB 3.45Å; A88-E92 PolarHBondContact O-N 3.28Å; R89-E92 WeakPolarHBondContact CD-OE2 3.43Å; R89-E92 IonicContact CZ-OE2 2.78Å; R89-E92 IonicContact NE-OE2 3.14Å; R89-E92 IonicContact NH1-OE1 2.96Å; R89-E92 PolarHBondContact NH1-OE1 2.86Å; R89-E92 IonicContact NH1-OE2 2.91Å; R89-E92 PolarHBondContact NH1-OE2 3.34Å; R89-E92 PolarHBondContact O-N 3.23Å; E92-R323 VanDerWaalsContact CD-NH2 3.28Å; E92-R323 IonicContact OE1-CZ 3.39Å; E92-R323 IonicContact OE1-NH1 2.74Å; E92-R323 IonicContact OE1-NH2 3.28Å; E92-R323 PolarHBondContact OE1-NH2 3.11Å; E92-R323 IonicContact OE2-NH2 3.64Å; E92-R323 PolarHBondContact OE2-NH2 2.78Å |
| 93 | F | 96.5 | Very high | 95.3 | Very high | 65 Ų | 65 | 67.7 Ų | 67.7 | 29% | 0.285 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92 | 0.4 | -177.8 | -72.4 | -96.4 | 0 | 0 | 0 | 113.1 | L53 P54 I83 R89 L95 | L53-F93 HydrophobicContact CD2-CB 4.33Å; L53-F93 HydrophobicContact CD2-CD1 4.19Å; L53-F93 HydrophobicContact CD2-CD2 3.68Å; L53-F93 HydrophobicContact CD2-CE1 4.41Å; L53-F93 HydrophobicContact CD2-CE2 3.95Å; L53-F93 HydrophobicContact CD2-CG 3.81Å; L53-F93 HydrophobicContact CD2-CZ 4.3Å; P54-F93 HydrophobicContact CG-CD1 4.06Å; P54-F93 HydrophobicContact CG-CE1 4.19Å; I83-F93 HydrophobicContact CD1-CE2 4.14Å; I83-F93 HydrophobicContact CD1-CZ 3.96Å; R89-F93 HydrophobicContact CB-CD2 4.44Å; R89-F93 WeakPolarHBondContact O-CD2 3.22Å; R89-F93 PolarHBondContact O-N 3.18Å; F93-L95 VanDerWaalsContact C-N 3.31Å; F93-L95 HydrophobicContact CB-CD2 3.44Å; F93-L95 VanDerWaalsContact CB-CD2 3.44Å; F93-L95 HydrophobicContact CB-CG 3.82Å; F93-L95 HydrophobicContact CG-CD2 4.46Å; F93-L95 PolarHBondContact O-N 3.12Å |
| 94 | N | 97.4 | Very high | 95 | Very high | 143 Ų | 143 | 68.6 Ų | 68.6 | 77% | 0.765 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.1 | 48.7 | -175.3 | -170.3 | 52.6 | 0 | 0 | 0 | 112.6 | V90 K91 | V90-N94 WeakPolarHBondContact O-CA 3.29Å; V90-N94 PolarHBondContact O-N 3.03Å; V90-N94 VanDerWaalsContact O-N 3.08Å; K91-N94 PolarHBondContact O-N 3.45Å |
| 95 | L | 97.7 | Very high | 95 | Very high | 15 Ų | 15 | 66 Ų | 66 | 8% | 0.079 | 35% | 0.351 | C | S | . | . | trans | -71.1 | 148.3 | -174.4 | -53.7 | 179.5 | 0 | 0 | 0 | 111.8 | L53 D57 P85 V90 F93 K97 | L53-L95 HydrophobicContact CD1-CD1 3.94Å; L53-L95 HydrophobicContact CD1-CD2 4.33Å; L53-L95 HydrophobicContact CD2-CD1 4.03Å; L53-L95 HydrophobicContact CD2-CD2 4.34Å; L53-L95 HydrophobicContact CG-CD1 4.15Å; L53-L95 HydrophobicContact CG-CD2 3.97Å; D57-L95 HydrophobicContact CB-CD2 3.95Å; P85-L95 HydrophobicContact CB-CD1 3.67Å; P85-L95 HydrophobicContact CG-CD1 4Å; V90-L95 HydrophobicContact CB-CD1 4.49Å; V90-L95 HydrophobicContact CG1-CB 4.35Å; V90-L95 HydrophobicContact CG2-CD1 4.08Å; V90-L95 PolarHBondContact O-N 3.08Å; F93-L95 VanDerWaalsContact C-N 3.31Å; F93-L95 HydrophobicContact CB-CD2 3.44Å; F93-L95 VanDerWaalsContact CB-CD2 3.44Å; F93-L95 HydrophobicContact CB-CG 3.82Å; F93-L95 HydrophobicContact CG-CD2 4.46Å; F93-L95 PolarHBondContact O-N 3.12Å; L95-K97 WeakPolarHBondContact CB-O 3.31Å; L95-K97 PolarHBondContact O-N 3.41Å | ||
| 96 | K | 97.8 | Very high | 95 | Very high | 120 Ų | 120 | 65.8 Ų | 65.8 | 52% | 0.522 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -58.6 | -37.4 | 173.3 | -65.1 | 163.8 | -174.8 | 170.9 | 0 | 111.9 | D57 E58 N60 W99 | D57-K96 WeakPolarHBondContact O-CE 3.28Å; D57-K96 PolarHBondContact O-NZ 3.36Å; D57-K96 WeakPolarHBondContact OD1-CB 3.26Å; D57-K96 PolarHBondContact OD1-N 2.88Å; D57-K96 WeakPolarHBondContact OD2-CE 2.97Å; D57-K96 WeakPolarHBondContact OD2-CG 3.31Å; E58-K96 PolarHBondContact O-NZ 3.36Å; N60-K96 PolarHBondContact OD1-NZ 3.14Å; K96-W99 HydrophobicContact CB-CZ2 4.41Å; K96-W99 HydrophobicContact CD-CZ2 4.34Å |
| 97 | K | 95.2 | Very high | 94.9 | Very high | 121 Ų | 121 | 62.9 Ų | 62.9 | 53% | 0.526 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -160.1 | 172.7 | 175.7 | 62.4 | 179.3 | 178.6 | 179.7 | 0 | 111 | L95 W99 | L95-K97 WeakPolarHBondContact CB-O 3.31Å; L95-K97 PolarHBondContact O-N 3.41Å; K97-W99 HydrophobicContact CD-CH2 4.33Å; K97-W99 HydrophobicContact CD-CZ3 4.36Å; K97-W99 VanDerWaalsContact CE-CE3 3.47Å; K97-W99 HydrophobicContact CG-CD2 4.18Å; K97-W99 HydrophobicContact CG-CE3 4.4Å; K97-W99 HydrophobicContact CG-CH2 4.26Å; K97-W99 HydrophobicContact CG-CZ2 4.04Å; K97-W99 HydrophobicContact CG-CZ3 4.46Å; K97-W99 PolarHBondContact O-N 3.13Å; K97-W99 VanDerWaalsContact O-N 3.14Å |
| 98 | M | 95.3 | Very high | 94.6 | Very high | 106 Ų | 106 | 62.7 Ų | 62.7 | 52% | 0.522 | 32% | 0.321 | S | S | . | . | trans | -73.9 | 100.6 | 170.4 | -166.6 | 176.6 | -64.7 | 0 | 0 | 109.6 | P85 A87 V90 | P85-M98 HydrophobicContact CG-CG 4.39Å; P85-M98 VanDerWaalsContact O-CG 3.23Å; P85-M98 WeakPolarHBondContact O-CG 3.49Å; A87-M98 HydrophobicContact CB-CE 4.12Å; V90-M98 HydrophobicContact CG2-CB 3.79Å; V90-M98 HydrophobicContact CG2-CE 4.13Å; V90-M98 HydrophobicContact CG2-CG 4.04Å | ||
| 99 | W | 94.9 | Very high | 94.4 | Very high | 18 Ų | 18 | 62.3 Ų | 62.3 | 7% | 0.068 | 31% | 0.309 | C | S | . | . | P | Polyproline II helix | trans | -69.2 | 152.3 | 178.9 | -63.8 | 105.7 | 0 | 0 | 0 | 112.5 | D57 N60 D61 P85 K96 K97 | D57-W99 PolarHBondContact OD1-NE1 3.25Å; N60-W99 VanDerWaalsContact C-CH2 3.49Å; N60-W99 VanDerWaalsContact C-CZ3 3.45Å; N60-W99 HydrophobicContact CB-CH2 3.73Å; N60-W99 HydrophobicContact CB-CZ3 4.38Å; N60-W99 VanDerWaalsContact O-CZ3 3.25Å; N60-W99 WeakPolarHBondContact O-CZ3 3.34Å; D61-W99 HydrophobicContact CB-CD2 4.31Å; D61-W99 HydrophobicContact CB-CE3 3.62Å; D61-W99 HydrophobicContact CB-CZ3 3.86Å; P85-W99 WeakPolarHBondContact CD-O 3.36Å; P85-W99 HydrophobicContact CG-CB 4.15Å; P85-W99 WeakPolarHBondContact CG-O 3.41Å; K96-W99 HydrophobicContact CB-CZ2 4.41Å; K96-W99 HydrophobicContact CD-CZ2 4.34Å; K97-W99 HydrophobicContact CD-CH2 4.33Å; K97-W99 HydrophobicContact CD-CZ3 4.36Å; K97-W99 VanDerWaalsContact CE-CE3 3.47Å; K97-W99 HydrophobicContact CG-CD2 4.18Å; K97-W99 HydrophobicContact CG-CE3 4.4Å; K97-W99 HydrophobicContact CG-CH2 4.26Å; K97-W99 HydrophobicContact CG-CZ2 4.04Å; K97-W99 HydrophobicContact CG-CZ3 4.46Å; K97-W99 PolarHBondContact O-N 3.13Å; K97-W99 VanDerWaalsContact O-N 3.14Å |
| 100 | L | 91.4 | Very high | 94.3 | Very high | 125 Ų | 125 | 61.2 Ų | 61.2 | 65% | 0.654 | 31% | 0.306 | S | S | * | . | P | Polyproline II helix | trans | -68.2 | 169.5 | 175.8 | -63.4 | 177.3 | 0 | 0 | 0 | 111.2 | R56 | R56-L100 PolarHBondContact NH2-O 2.92Š|
| 101 | S | 92.3 | Very high | 93.8 | Very high | 36 Ų | 36 | 61.7 Ų | 61.7 | 25% | 0.252 | 32% | 0.318 | S | S | . | . | P | Polyproline II helix | trans | -71.1 | 128.3 | 173.9 | -177 | 0 | 0 | 0 | 0 | 111.4 | T84 N103 G104 T105 | T84-S101 WeakPolarHBondContact OG1-CA 3.49Å; T84-S101 WeakPolarHBondContact OG1-CB 3.38Å; T84-S101 PolarHBondContact OG1-OG 3.28Å; T84-S101 VanDerWaalsContact OG1-OG 3.05Å; S101-N103 PolarHBondContact O-N 3.41Å; S101-N103 PolarHBondContact OG-N 3.16Å; S101-G104 WeakPolarHBondContact O-CA 3.18Å; S101-G104 PolarHBondContact O-N 3.2Å; S101-G104 VanDerWaalsContact O-N 3.09Å; S101-T105 PolarHBondContact O-N 2.8Å; S101-T105 PolarHBondContact O-OG1 2.93Å |
| 102 | P | 94.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -55.8 | -41.6 | 172.3 | -30.1 | 38.8 | 0 | 0 | 0 | 112.8 | L51 T64 T82 G104 T105 I106 | L51-P102 HydrophobicContact CD1-CB 4.34Å; T64-P102 HydrophobicContact CG2-CB 4.14Å; T82-P102 HydrophobicContact CG2-CG 4.43Å; T82-P102 WeakPolarHBondContact OG1-CG 3.46Å; P102-G104 VanDerWaalsContact C-N 3.29Å; P102-G104 PolarHBondContact O-N 3.28Å; P102-T105 PolarHBondContact O-N 2.6Å; P102-I106 WeakPolarHBondContact O-CB 3.35Å; P102-I106 VanDerWaalsContact O-CG1 3.31Å; P102-I106 WeakPolarHBondContact O-CG1 3.44Å; P102-I106 PolarHBondContact O-N 2.6Å |
| 103 | N | 91.6 | Very high | 93.2 | Very high | 30 Ų | 30 | 49.4 Ų | 49.4 | 16% | 0.16 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.4 | -46.5 | 178.2 | -66.1 | 20.9 | 0 | 0 | 0 | 109.5 | K79 S101 T105 R107 E312 | K79-N103 WeakPolarHBondContact CE-OD1 3.42Å; K79-N103 PolarHBondContact NZ-OD1 3.46Å; S101-N103 PolarHBondContact O-N 3.41Å; S101-N103 PolarHBondContact OG-N 3.16Å; N103-T105 PolarHBondContact O-N 2.74Å; N103-R107 WeakPolarHBondContact O-CB 3.39Å; N103-R107 WeakPolarHBondContact O-CD 3.03Å; N103-R107 WeakPolarHBondContact O-CG 3.1Å; N103-R107 PolarHBondContact O-N 2.81Å; N103-E312 PolarHBondContact ND2-OE1 2.86Å; N103-E312 PolarHBondContact ND2-OE2 3.44Å; N103-E312 PolarHBondContact OD1-OE2 2.82Å |
| 104 | G | 89.4 | Confident | 93.2 | Very high | 26 Ų | 26 | 46.4 Ų | 46.4 | 27% | 0.268 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -56.3 | -50.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | S101 P102 N108 | S101-G104 WeakPolarHBondContact O-CA 3.18Å; S101-G104 PolarHBondContact O-N 3.2Å; S101-G104 VanDerWaalsContact O-N 3.09Å; P102-G104 VanDerWaalsContact C-N 3.29Å; P102-G104 PolarHBondContact O-N 3.28Å; G104-N108 VanDerWaalsContact O-CB 3.27Å; G104-N108 WeakPolarHBondContact O-CB 3.33Å; G104-N108 PolarHBondContact O-N 2.74Å; G104-N108 PolarHBondContact O-ND2 3.04Å |
| 105 | T | 92.9 | Very high | 93.2 | Very high | 23 Ų | 23 | 39.6 Ų | 39.6 | 14% | 0.141 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.2 | -50 | -179.9 | -58.5 | 0 | 0 | 0 | 0 | 112.5 | T64 V65 S101 P102 N103 N108 I109 | T64-T105 HydrophobicContact CG2-CG2 3.72Å; V65-T105 HydrophobicContact CG2-CG2 4.08Å; S101-T105 PolarHBondContact O-N 2.8Å; S101-T105 PolarHBondContact O-OG1 2.93Å; P102-T105 PolarHBondContact O-N 2.6Å; N103-T105 PolarHBondContact O-N 2.74Å; T105-N108 WeakPolarHBondContact O-CB 3.48Å; T105-N108 PolarHBondContact O-N 2.91Å; T105-I109 HydrophobicContact CG2-CD1 3.97Å; T105-I109 WeakPolarHBondContact O-CG1 3.37Å; T105-I109 PolarHBondContact O-N 2.94Å; T105-I109 VanDerWaalsContact O-N 3.1Å |
| 106 | I | 95.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.3 | -50.6 | 179.6 | -67.1 | 163.6 | 0 | 0 | 0 | 110.2 | L20 L51 T64 A68 I71 K79 P102 N108 I109 L110 E310 | L20-I106 HydrophobicContact CD2-CD1 3.56Å; L51-I106 HydrophobicContact CD1-CD1 3.89Å; T64-I106 HydrophobicContact CG2-CD1 4.31Å; T64-I106 HydrophobicContact CG2-CG1 3.93Å; A68-I106 HydrophobicContact CB-CG1 4.25Å; I71-I106 HydrophobicContact CD1-CG2 4.33Å; K79-I106 HydrophobicContact CD-CD1 3.8Å; P102-I106 WeakPolarHBondContact O-CB 3.35Å; P102-I106 VanDerWaalsContact O-CG1 3.31Å; P102-I106 WeakPolarHBondContact O-CG1 3.44Å; P102-I106 PolarHBondContact O-N 2.6Å; I106-N108 PolarHBondContact O-N 2.79Å; I106-I109 PolarHBondContact O-N 3.05Å; I106-I109 VanDerWaalsContact O-N 3.12Å; I106-L110 HydrophobicContact CG2-CD1 3.58Å; I106-L110 HydrophobicContact CG2-CG 4.02Å; I106-L110 WeakPolarHBondContact O-CB 3.31Å; I106-L110 VanDerWaalsContact O-CG 3.31Å; I106-L110 WeakPolarHBondContact O-CG 3.44Å; I106-L110 PolarHBondContact O-N 3.07Å; I106-E310 HydrophobicContact CG2-CG 4.32Å |
| 107 | R | 92 | Very high | 93.1 | Very high | 24 Ų | 24 | 35.4 Ų | 35.4 | 9% | 0.091 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58.7 | -36.6 | 179.4 | -66.2 | 167.2 | -178.5 | -179.9 | -0.3 | 111.8 | N103 G111 V114 L301 E312 | N103-R107 WeakPolarHBondContact O-CB 3.39Å; N103-R107 WeakPolarHBondContact O-CD 3.03Å; N103-R107 WeakPolarHBondContact O-CG 3.1Å; N103-R107 PolarHBondContact O-N 2.81Å; R107-G111 PolarHBondContact O-N 3Å; R107-V114 HydrophobicContact CG-CG2 4.38Å; R107-L301 HydrophobicContact CB-CD1 3.84Å; R107-L301 HydrophobicContact CG-CD1 3.5Å; R107-L301 VanDerWaalsContact CG-CD1 3.5Å; R107-E312 IonicContact CZ-OE1 2.82Å; R107-E312 IonicContact NE-OE1 3.59Å; R107-E312 IonicContact NH2-OE1 2.8Å; R107-E312 PolarHBondContact NH2-OE1 2.87Å |
| 108 | N | 88.6 | Confident | 93.1 | Very high | 67 Ų | 67 | 29.9 Ų | 29.9 | 36% | 0.358 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -67 | -40.6 | 177.1 | -73.7 | -29.5 | 0 | 0 | 0 | 113.4 | G104 T105 I106 K147 | G104-N108 VanDerWaalsContact O-CB 3.27Å; G104-N108 WeakPolarHBondContact O-CB 3.33Å; G104-N108 PolarHBondContact O-N 2.74Å; G104-N108 PolarHBondContact O-ND2 3.04Å; T105-N108 WeakPolarHBondContact O-CB 3.48Å; T105-N108 PolarHBondContact O-N 2.91Å; I106-N108 PolarHBondContact O-N 2.79Å; N108-K147 VanDerWaalsContact CG-CE 3.47Å; N108-K147 WeakPolarHBondContact ND2-CE 3.24Å; N108-K147 PolarHBondContact ND2-NZ 2.81Å; N108-K147 WeakPolarHBondContact OD1-CE 3.23Å; N108-K147 PolarHBondContact OD1-NZ 2.73Å |
| 109 | I | 93.4 | Very high | 93.1 | Very high | 56 Ų | 56 | 25.4 Ų | 25.4 | 29% | 0.287 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -75 | -40.3 | -179.9 | -68.4 | 166.9 | 0 | 0 | 0 | 110.5 | V65 A68 L72 T105 I106 | V65-I109 HydrophobicContact CB-CD1 4.23Å; V65-I109 HydrophobicContact CG1-CD1 3.97Å; V65-I109 HydrophobicContact CG2-CD1 4.19Å; A68-I109 HydrophobicContact CB-CB 3.84Å; A68-I109 HydrophobicContact CB-CD1 3.72Å; A68-I109 HydrophobicContact CB-CG1 4.39Å; A68-I109 HydrophobicContact CB-CG2 3.69Å; L72-I109 HydrophobicContact CD1-CG2 3.87Å; T105-I109 HydrophobicContact CG2-CD1 3.97Å; T105-I109 WeakPolarHBondContact O-CG1 3.37Å; T105-I109 PolarHBondContact O-N 2.94Å; T105-I109 VanDerWaalsContact O-N 3.1Å; I106-I109 PolarHBondContact O-N 3.05Å; I106-I109 VanDerWaalsContact O-N 3.12Å |
| 110 | L | 92.9 | Very high | 93.1 | Very high | 10 Ų | 10 | 27 Ų | 27 | 5% | 0.052 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -72.9 | -31.1 | 178.9 | -64.5 | -172.1 | 0 | 0 | 0 | 112.6 | I71 L72 I106 G112 L301 C303 T308 E310 | I71-L110 HydrophobicContact CB-CD2 4.08Å; I71-L110 HydrophobicContact CD1-CD1 4.29Å; I71-L110 HydrophobicContact CG2-CD1 3.93Å; I71-L110 HydrophobicContact CG2-CD2 3.82Å; L72-L110 HydrophobicContact CD2-CD2 3.6Å; L72-L110 HydrophobicContact CG-CD2 3.63Å; I106-L110 HydrophobicContact CG2-CD1 3.58Å; I106-L110 HydrophobicContact CG2-CG 4.02Å; I106-L110 WeakPolarHBondContact O-CB 3.31Å; I106-L110 VanDerWaalsContact O-CG 3.31Å; I106-L110 WeakPolarHBondContact O-CG 3.44Å; I106-L110 PolarHBondContact O-N 3.07Å; L110-G112 VanDerWaalsContact C-N 3.28Å; L110-G112 PolarHBondContact O-N 2.94Å; L110-L301 HydrophobicContact CB-CD2 3.81Å; L110-L301 HydrophobicContact CD1-CD2 3.73Å; L110-L301 HydrophobicContact CG-CD2 4.43Å; L110-C303 PolarHBondContact O-SG 3.13Å; L110-T308 HydrophobicContact CD2-CG2 4.32Å; L110-E310 HydrophobicContact CD1-CB 3.78Å |
| 111 | G | 86.9 | Confident | 93.2 | Very high | 44 Ų | 44 | 21.4 Ų | 21.4 | 45% | 0.454 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.1 | 26.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114 | R107 P304 | R107-G111 PolarHBondContact O-N 3Å; G111-P304 WeakPolarHBondContact O-CD 3.41Å |
| 112 | G | 86.8 | Confident | 93.2 | Very high | 8 Ų | 8 | 28.8 Ų | 28.8 | 8% | 0.082 | 16% | 0.159 | C | C | . | . | trans | -97.3 | 174.2 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | L110 V302 | L110-G112 VanDerWaalsContact C-N 3.28Å; L110-G112 PolarHBondContact O-N 2.94Å; G112-V302 CarbonylContact C-O 3.58Å; G112-V302 WeakPolarHBondContact CA-O 3.45Å | ||
| 113 | T | 95.2 | Very high | 93 | Very high | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.006 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 132.2 | 174.9 | -57.3 | 0 | 0 | 0 | 0 | 109.9 | F115 F198 S201 L301 V302 | T113-F115 HydrophobicContact CG2-CD2 4.22Å; T113-F115 HydrophobicContact CG2-CE1 4.06Å; T113-F115 HydrophobicContact CG2-CE2 3.63Å; T113-F115 HydrophobicContact CG2-CZ 3.54Å; T113-F115 WeakPolarHBondContact O-CD2 3.38Å; T113-F198 HydrophobicContact CG2-CD2 3.52Å; T113-F198 HydrophobicContact CG2-CE2 3.58Å; T113-F198 WeakPolarHBondContact OG1-CD2 3.33Å; T113-S201 VanDerWaalsContact OG1-CB 3.24Å; T113-S201 WeakPolarHBondContact OG1-CB 3.41Å; T113-S201 PolarHBondContact OG1-OG 3.2Å; T113-L301 CarbonylContact O-C 3.45Å; T113-L301 VanDerWaalsContact O-CA 3.29Å; T113-L301 WeakPolarHBondContact O-CA 3.36Å; T113-V302 PolarHBondContact N-O 2.94Å; T113-V302 PolarHBondContact O-N 3.27Å |
| 114 | V | 95.7 | Very high | 93.1 | Very high | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.006 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 115.7 | 177.6 | -179.8 | 0 | 0 | 0 | 0 | 109.3 | R107 R116 R139 A141 L301 | R107-V114 HydrophobicContact CG-CG2 4.38Å; V114-R116 HydrophobicContact CG1-CG 4.39Å; V114-R139 HydrophobicContact CB-CB 4.31Å; V114-R139 PolarHBondContact N-O 3.23Å; V114-R139 VanDerWaalsContact N-O 3.11Å; V114-R139 PolarHBondContact O-N 2.6Å; V114-A141 HydrophobicContact CG2-CB 3.84Å; V114-L301 HydrophobicContact CG2-CB 4.34Å; V114-L301 HydrophobicContact CG2-CD1 4.2Å |
| 115 | F | 96.6 | Very high | 93.2 | Very high | 1 Ų | 1 | 31 Ų | 31 | 0% | 0.004 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 125.1 | 174.1 | -65.9 | -81.6 | 0 | 0 | 0 | 110.5 | T113 V136 I137 S201 Y205 V272 S299 V300 V302 | T113-F115 HydrophobicContact CG2-CD2 4.22Å; T113-F115 HydrophobicContact CG2-CE1 4.06Å; T113-F115 HydrophobicContact CG2-CE2 3.63Å; T113-F115 HydrophobicContact CG2-CZ 3.54Å; T113-F115 WeakPolarHBondContact O-CD2 3.38Å; F115-V136 HydrophobicContact CB-CG1 4.34Å; F115-V136 HydrophobicContact CD1-CG1 3.86Å; F115-I137 CarbonylContact C-O 3.56Å; F115-I137 VanDerWaalsContact CA-O 3.27Å; F115-I137 WeakPolarHBondContact CA-O 3.35Å; F115-S201 WeakPolarHBondContact CZ-O 3.15Å; F115-Y205 HydrophobicContact CB-CD2 4.35Å; F115-Y205 HydrophobicContact CB-CE2 3.87Å; F115-Y205 HydrophobicContact CD1-CD1 4.1Å; F115-Y205 AromaticContact CD1-CD2 3.83Å; F115-Y205 HydrophobicContact CD1-CD2 3.83Å; F115-Y205 HydrophobicContact CD1-CE1 4.4Å; F115-Y205 HydrophobicContact CD1-CE2 4.14Å; F115-Y205 AromaticContact CD1-CG 3.81Å; F115-Y205 HydrophobicContact CD1-CG 3.81Å; F115-Y205 AromaticContact CD2-CD2 3.65Å; F115-Y205 HydrophobicContact CD2-CD2 3.65Å; F115-Y205 AromaticContact CD2-CE2 3.91Å; F115-Y205 HydrophobicContact CD2-CE2 3.91Å; F115-Y205 HydrophobicContact CD2-CG 4.38Å; F115-Y205 HydrophobicContact CE1-CD1 4.29Å; F115-Y205 AromaticContact CE1-CD2 3.99Å; F115-Y205 HydrophobicContact CE1-CD2 3.99Å; F115-Y205 AromaticContact CE1-CG 3.73Å; F115-Y205 HydrophobicContact CE1-CG 3.73Å; F115-Y205 AromaticContact CE2-CD2 3.8Å; F115-Y205 HydrophobicContact CE2-CD2 3.8Å; F115-Y205 HydrophobicContact CE2-CG 4.3Å; F115-Y205 AromaticContact CG-CD2 3.65Å; F115-Y205 HydrophobicContact CG-CD2 3.65Å; F115-Y205 AromaticContact CG-CE2 3.69Å; F115-Y205 HydrophobicContact CG-CE2 3.69Å; F115-Y205 HydrophobicContact CG-CG 4.13Å; F115-Y205 AromaticContact CZ-CD2 3.97Å; F115-Y205 HydrophobicContact CZ-CD2 3.97Å; F115-Y205 AromaticContact CZ-CG 3.99Å; F115-Y205 HydrophobicContact CZ-CG 3.99Å; F115-V272 HydrophobicContact CE1-CG1 4.32Å; F115-S299 WeakPolarHBondContact O-CA 3.07Å; F115-V300 PolarHBondContact N-O 3.04Å; F115-V300 PolarHBondContact O-N 3.18Å; F115-V302 HydrophobicContact CD2-CB 4.13Å; F115-V302 HydrophobicContact CD2-CG2 3.8Å; F115-V302 HydrophobicContact CE2-CB 3.98Å; F115-V302 HydrophobicContact CE2-CG2 4.1Å |
| 116 | R | 96.8 | Very high | 93.2 | Very high | 23 Ų | 23 | 33.6 Ų | 33.6 | 9% | 0.087 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 122.2 | 174.1 | -75.8 | -179.5 | 170.6 | -162.9 | -6 | 110 | V114 V136 I137 S284 D285 M297 T298 | V114-R116 HydrophobicContact CG1-CG 4.39Å; R116-V136 WeakPolarHBondContact O-CA 3.39Å; R116-I137 PolarHBondContact N-O 3.03Å; R116-I137 PolarHBondContact O-N 3.4Å; R116-S284 VanDerWaalsContact CD-OG 3.26Å; R116-S284 WeakPolarHBondContact CD-OG 3.31Å; R116-S284 PolarHBondContact NH1-OG 3.28Å; R116-D285 IonicContact NH1-OD1 2.67Å; R116-D285 PolarHBondContact NH1-OD1 3.31Å; R116-M297 VanDerWaalsContact C-SD 3.53Å; R116-M297 HydrophobicContact CB-CG 4.2Å; R116-M297 HydrophobicContact CB-SD 3.76Å; R116-M297 HydrophobicContact CG-CG 4.46Å; R116-T298 VanDerWaalsContact CA-O 3.27Å; R116-T298 WeakPolarHBondContact CA-O 3.36Å |
| 117 | E | 96.4 | Very high | 93.1 | Very high | 24 Ų | 24 | 39.6 Ų | 39.6 | 11% | 0.112 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 127.9 | 179.2 | -172.1 | 176.5 | 176.7 | 0 | 0 | 111.8 | P134 V136 K209 M297 T298 | E117-P134 HydrophobicContact CG-CB 3.97Å; E117-V136 HydrophobicContact CB-CG2 3.92Å; E117-V136 HydrophobicContact CG-CG2 3.69Å; E117-K209 IonicContact OE1-NZ 3.72Å; E117-K209 PolarHBondContact OE1-NZ 2.92Å; E117-K209 IonicContact OE2-NZ 2.87Å; E117-K209 PolarHBondContact OE2-NZ 2.85Å; E117-M297 VanDerWaalsContact CA-SD 3.58Å; E117-M297 PolarHBondContact N-SD 2.7Å; E117-T298 WeakPolarHBondContact CB-OG1 3.49Å; E117-T298 PolarHBondContact N-O 3.21Å; E117-T298 PolarHBondContact N-OG1 3.34Å; E117-T298 PolarHBondContact O-N 3.22Å; E117-T298 PolarHBondContact O-OG1 2.84Å |
| 118 | P | 95.9 | Very high | 93.2 | Very high | 5 Ų | 5 | 39.8 Ų | 39.8 | 3% | 0.032 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 140.4 | -178.2 | 27.3 | -34.2 | 0 | 0 | 0 | 111.8 | L120 P134 I135 V287 F291 L296 M297 | P118-L120 HydrophobicContact CB-CD2 4.28Å; P118-L120 HydrophobicContact CG-CD2 4.33Å; P118-P134 HydrophobicContact CG-CB 3.96Å; P118-I135 WeakPolarHBondContact CD-O 3.48Å; P118-V287 HydrophobicContact CG-CG1 4.2Å; P118-F291 HydrophobicContact CB-CB 3.92Å; P118-F291 HydrophobicContact CB-CD2 3.6Å; P118-F291 HydrophobicContact CB-CE2 4.29Å; P118-F291 HydrophobicContact CB-CG 3.77Å; P118-F291 HydrophobicContact CG-CD2 3.4Å; P118-F291 VanDerWaalsContact CG-CD2 3.4Å; P118-F291 HydrophobicContact CG-CE2 3.57Å; P118-F291 HydrophobicContact CG-CG 3.93Å; P118-F291 HydrophobicContact CG-CZ 4.21Å; P118-L296 CarbonylContact C-O 3.23Å; P118-L296 WeakPolarHBondContact CA-O 3.42Å; P118-M297 HydrophobicContact CB-CE 3.84Å; P118-M297 HydrophobicContact CB-SD 4.47Å; P118-M297 HydrophobicContact CG-CE 4.39Å |
| 119 | I | 95.4 | Very high | 93.4 | Very high | 11 Ų | 11 | 42 Ų | 42 | 6% | 0.056 | 23% | 0.233 | C | C | . | . | trans | -87.9 | 112.9 | 174.1 | -57.3 | 169.1 | 0 | 0 | 0 | 107.5 | C121 L296 T298 I336 F340 V370 | I119-C121 PolarHBondContact O-N 3.43Å; I119-L296 HydrophobicContact CB-CB 4.17Å; I119-L296 HydrophobicContact CB-CD2 4.47Å; I119-L296 PolarHBondContact N-O 3.09Å; I119-T298 HydrophobicContact CD1-CG2 3.91Å; I119-T298 HydrophobicContact CG1-CG2 3.69Å; I119-I336 HydrophobicContact CD1-CG2 3.68Å; I119-I336 HydrophobicContact CG2-CG2 4.45Å; I119-F340 HydrophobicContact CD1-CB 4.04Å; I119-F340 HydrophobicContact CD1-CD1 3.54Å; I119-F340 HydrophobicContact CD1-CD2 3.83Å; I119-F340 HydrophobicContact CD1-CE1 3.81Å; I119-F340 HydrophobicContact CD1-CE2 4.1Å; I119-F340 HydrophobicContact CD1-CG 3.52Å; I119-F340 HydrophobicContact CD1-CZ 4.07Å; I119-F340 HydrophobicContact CG1-CD1 3.88Å; I119-F340 HydrophobicContact CG1-CE1 3.82Å; I119-F340 HydrophobicContact CG1-CG 4.37Å; I119-F340 HydrophobicContact CG1-CZ 4.29Å; I119-F340 HydrophobicContact CG2-CE1 3.97Å; I119-F340 HydrophobicContact CG2-CE2 4.31Å; I119-F340 HydrophobicContact CG2-CZ 3.7Å; I119-V370 HydrophobicContact CG2-CG2 4.05Å | ||
| 120 | L | 94.1 | Very high | 93.4 | Very high | 53 Ų | 53 | 41 Ų | 41 | 28% | 0.277 | 24% | 0.236 | S | C | . | . | trans | -85.9 | 118.6 | -173 | -56.9 | -170.3 | 0 | 0 | 0 | 111.7 | P118 P134 F291 | P118-L120 HydrophobicContact CB-CD2 4.28Å; P118-L120 HydrophobicContact CG-CD2 4.33Å; L120-P134 HydrophobicContact CD1-CG 3.69Å; L120-P134 HydrophobicContact CG-CG 4.11Å; L120-F291 HydrophobicContact CD2-CD1 3.33Å; L120-F291 HydrophobicContact CD2-CE1 3.6Å; L120-F291 HydrophobicContact CD2-CG 4.03Å; L120-F291 HydrophobicContact CD2-CZ 4.47Å | ||
| 121 | C | 94 | Very high | 93.6 | Very high | 6 Ų | 6 | 40.5 Ų | 40.5 | 4% | 0.041 | 23% | 0.234 | C | C | . | . | trans | -112 | 124.5 | 163.6 | -56.4 | 0 | 0 | 0 | 0 | 108.1 | I119 T123 V124 V373 E374 | I119-C121 PolarHBondContact O-N 3.43Å; C121-T123 VanDerWaalsContact C-N 3.33Å; C121-V124 HydrophobicContact CB-CB 4.13Å; C121-V124 HydrophobicContact CB-CG2 3.72Å; C121-V124 PolarHBondContact O-N 2.83Å; C121-V373 HydrophobicContact CB-CG1 4.05Å; C121-E374 VanDerWaalsContact CA-OE1 3.29Å; C121-E374 WeakPolarHBondContact CA-OE1 3.49Å | ||
| 122 | K | 92.3 | Very high | 94 | Very high | 191 Ų | 191 | 45.4 Ų | 45.4 | 83% | 0.83 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -62.8 | -37.1 | 179.4 | -62.7 | 176.9 | -178.2 | 172.5 | 0 | 112.3 | V124 E374 | K122-V124 VanDerWaalsContact C-N 3.3Å; K122-E374 WeakPolarHBondContact CB-OE1 3.15Å; K122-E374 PolarHBondContact N-OE1 3.35Å |
| 123 | T | 91.4 | Very high | 94.4 | Very high | 57 Ų | 57 | 48.8 Ų | 48.8 | 35% | 0.35 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -66.5 | -29.4 | 176.4 | 38.4 | 0 | 0 | 0 | 0 | 112.9 | C121 P125 E374 | C121-T123 VanDerWaalsContact C-N 3.33Å; T123-P125 VanDerWaalsContact O-CD 3.27Å; T123-P125 WeakPolarHBondContact O-CD 3.5Å; T123-E374 VanDerWaalsContact CB-OE2 3.23Å; T123-E374 WeakPolarHBondContact CB-OE2 3.35Å; T123-E374 WeakPolarHBondContact CG2-OE2 3.45Å; T123-E374 PolarHBondContact N-OE2 3.3Å; T123-E374 PolarHBondContact OG1-OE2 2.95Å |
| 124 | V | 92.9 | Very high | 94.5 | Very high | 3 Ų | 3 | 49.6 Ų | 49.6 | 2% | 0.018 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -78.6 | 116.1 | 179.6 | 180 | 0 | 0 | 0 | 0 | 109.7 | C121 K122 R126 L296 V373 L382 A385 I386 | C121-V124 HydrophobicContact CB-CB 4.13Å; C121-V124 HydrophobicContact CB-CG2 3.72Å; C121-V124 PolarHBondContact O-N 2.83Å; K122-V124 VanDerWaalsContact C-N 3.3Å; V124-R126 PolarHBondContact O-N 3.28Å; V124-L296 HydrophobicContact CB-CD1 4.42Å; V124-L296 HydrophobicContact CG1-CD1 4.28Å; V124-L296 HydrophobicContact CG2-CD1 4.06Å; V124-V373 HydrophobicContact CG2-CG1 4.04Å; V124-L382 HydrophobicContact CG2-CD2 4.45Å; V124-A385 HydrophobicContact CG1-CB 4.37Å; V124-I386 HydrophobicContact CG2-CD1 4.16Å; V124-I386 HydrophobicContact CG2-CG1 4.33Å |
| 125 | P | 92.1 | Very high | 94.6 | Very high | 43 Ų | 43 | 49.5 Ų | 49.5 | 28% | 0.279 | 26% | 0.264 | S | S | . | . | P | Polyproline II helix | trans | -66 | 135.1 | -179 | -20.6 | 33.4 | 0 | 0 | 0 | 111.7 | T123 | T123-P125 VanDerWaalsContact O-CD 3.27Å; T123-P125 WeakPolarHBondContact O-CD 3.5Å |
| 126 | R | 92.9 | Very high | 94.7 | Very high | 78 Ų | 78 | 49.5 Ų | 49.5 | 29% | 0.294 | 26% | 0.263 | S | S | . | . | P | Polyproline II helix | trans | -79.2 | 136.5 | 172.7 | -59.4 | 174 | -173.7 | 170.7 | -3.6 | 109.5 | V124 W131 K132 F291 | V124-R126 PolarHBondContact O-N 3.28Å; R126-W131 VanDerWaalsContact CD-O 3.26Å; R126-W131 WeakPolarHBondContact CD-O 3.49Å; R126-W131 PolarHBondContact NH1-O 2.89Å; R126-K132 PolarHBondContact NH1-O 3.08Å; R126-K132 VanDerWaalsContact NH1-O 3.1Å; R126-F291 HydrophobicContact CG-CD1 4.33Å |
| 127 | L | 92.7 | Very high | 94.8 | Very high | 125 Ų | 125 | 48.4 Ų | 48.4 | 65% | 0.654 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -74.5 | -33.6 | 171.3 | -60.9 | -178 | 0 | 0 | 0 | 110.9 | Q289 G290 | L127-Q289 HydrophobicContact CD1-CG 3.94Å; L127-Q289 WeakPolarHBondContact CD1-O 3.44Å; L127-G290 PolarHBondContact N-O 3.14Å |
| 128 | V | 94.8 | Very high | 94.8 | Very high | 29 Ų | 29 | 47.3 Ų | 47.3 | 18% | 0.176 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -99.3 | 95.1 | 171.2 | -171.4 | 0 | 0 | 0 | 0 | 108.6 | G130 W131 L265 G290 | V128-G130 PolarHBondContact O-N 2.97Å; V128-W131 HydrophobicContact CB-CD2 3.71Å; V128-W131 HydrophobicContact CB-CE3 3.94Å; V128-W131 HydrophobicContact CB-CG 4.12Å; V128-W131 HydrophobicContact CB-CH2 4.35Å; V128-W131 HydrophobicContact CB-CZ2 4.1Å; V128-W131 HydrophobicContact CB-CZ3 4.28Å; V128-W131 HydrophobicContact CG1-CD2 3.82Å; V128-W131 HydrophobicContact CG1-CG 3.93Å; V128-W131 HydrophobicContact CG1-CZ2 4.04Å; V128-W131 HydrophobicContact CG2-CD2 4.36Å; V128-W131 HydrophobicContact CG2-CE3 4.33Å; V128-W131 HydrophobicContact CG2-CH2 3.94Å; V128-W131 HydrophobicContact CG2-CZ2 3.92Å; V128-W131 HydrophobicContact CG2-CZ3 4.15Å; V128-W131 PolarHBondContact O-N 2.72Å; V128-L265 HydrophobicContact CG1-CD2 4.2Å; V128-L265 HydrophobicContact CG2-CD2 3.87Å; V128-G290 PolarHBondContact N-O 3.32Å |
| 129 | S | 92.2 | Very high | 94.9 | Very high | 112 Ų | 112 | 47.6 Ų | 47.6 | 78% | 0.783 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -24.8 | -170.7 | 60.9 | 0 | 0 | 0 | 0 | 114.7 | W131 | S129-W131 VanDerWaalsContact C-N 3.34Š|
| 130 | G | 94.3 | Very high | 94.9 | Very high | 35 Ų | 35 | 47.3 Ų | 47.3 | 36% | 0.361 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -24.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | V128 K132 S268 | V128-G130 PolarHBondContact O-N 2.97Å; G130-K132 PolarHBondContact O-N 2.95Å; G130-S268 WeakPolarHBondContact O-CA 3.49Å |
| 131 | W | 96.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | trans | -68.8 | 121.5 | -179.5 | -66.4 | -7.1 | 0 | 0 | 0 | 109.9 | R126 V128 S129 I135 M264 L265 V287 F291 | R126-W131 VanDerWaalsContact CD-O 3.26Å; R126-W131 WeakPolarHBondContact CD-O 3.49Å; R126-W131 PolarHBondContact NH1-O 2.89Å; V128-W131 HydrophobicContact CB-CD2 3.71Å; V128-W131 HydrophobicContact CB-CE3 3.94Å; V128-W131 HydrophobicContact CB-CG 4.12Å; V128-W131 HydrophobicContact CB-CH2 4.35Å; V128-W131 HydrophobicContact CB-CZ2 4.1Å; V128-W131 HydrophobicContact CB-CZ3 4.28Å; V128-W131 HydrophobicContact CG1-CD2 3.82Å; V128-W131 HydrophobicContact CG1-CG 3.93Å; V128-W131 HydrophobicContact CG1-CZ2 4.04Å; V128-W131 HydrophobicContact CG2-CD2 4.36Å; V128-W131 HydrophobicContact CG2-CE3 4.33Å; V128-W131 HydrophobicContact CG2-CH2 3.94Å; V128-W131 HydrophobicContact CG2-CZ2 3.92Å; V128-W131 HydrophobicContact CG2-CZ3 4.15Å; V128-W131 PolarHBondContact O-N 2.72Å; S129-W131 VanDerWaalsContact C-N 3.34Å; W131-I135 HydrophobicContact CD2-CD1 3.74Å; W131-I135 HydrophobicContact CE3-CD1 4.16Å; W131-I135 HydrophobicContact CG-CD1 4.18Å; W131-I135 HydrophobicContact CH2-CD1 4.28Å; W131-I135 HydrophobicContact CZ2-CD1 3.89Å; W131-I135 HydrophobicContact CZ3-CD1 4.39Å; W131-M264 HydrophobicContact CH2-SD 3.68Å; W131-M264 HydrophobicContact CZ2-CG 4.13Å; W131-M264 HydrophobicContact CZ2-SD 3.27Å; W131-M264 WeakPolarHBondContact CZ2-SD 3.33Å; W131-M264 PolarHBondContact NE1-O 2.69Å; W131-L265 HydrophobicContact CZ2-CD2 4.07Å; W131-V287 HydrophobicContact CH2-CG2 4.26Å; W131-F291 HydrophobicContact CB-CE1 3.92Å; W131-F291 HydrophobicContact CB-CZ 3.75Å; W131-F291 HydrophobicContact CD2-CE2 4.11Å; W131-F291 HydrophobicContact CD2-CZ 4.17Å; W131-F291 AromaticContact CE3-CD2 3.63Å; W131-F291 HydrophobicContact CE3-CD2 3.63Å; W131-F291 HydrophobicContact CE3-CE1 4.35Å; W131-F291 AromaticContact CE3-CE2 3.32Å; W131-F291 HydrophobicContact CE3-CE2 3.32Å; W131-F291 HydrophobicContact CE3-CG 4.25Å; W131-F291 AromaticContact CE3-CZ 3.72Å; W131-F291 HydrophobicContact CE3-CZ 3.72Å; W131-F291 HydrophobicContact CG-CZ 4.24Å; W131-F291 AromaticContact CZ3-CD2 3.89Å; W131-F291 HydrophobicContact CZ3-CD2 3.89Å; W131-F291 AromaticContact CZ3-CE2 3.85Å; W131-F291 HydrophobicContact CZ3-CE2 3.85Å | ||
| 132 | K | 94.3 | Very high | 94.7 | Very high | 148 Ų | 148 | 46.8 Ų | 46.8 | 64% | 0.643 | 25% | 0.25 | S | S | * | . | trans | -108.1 | -44.3 | -179.6 | -69.6 | -177.4 | -178.1 | 178.2 | 0 | 111.5 | R126 G130 S268 | R126-K132 PolarHBondContact NH1-O 3.08Å; R126-K132 VanDerWaalsContact NH1-O 3.1Å; G130-K132 PolarHBondContact O-N 2.95Å; K132-S268 PolarHBondContact N-O 3.12Å | ||
| 133 | N | 96.4 | Very high | 94.7 | Very high | 78 Ų | 78 | 37.7 Ų | 37.7 | 42% | 0.417 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -106.2 | 155.1 | -179 | -56.1 | -51.5 | 0 | 0 | 0 | 110.3 | S268 G269 F291 | N133-S268 PolarHBondContact N-O 3.31Å; N133-G269 WeakPolarHBondContact O-CA 3.48Å; N133-F291 VanDerWaalsContact O-CZ 3.28Å; N133-F291 WeakPolarHBondContact O-CZ 3.5Å |
| 134 | P | 96.8 | Very high | 94.7 | Very high | 18 Ų | 18 | 35.2 Ų | 35.2 | 12% | 0.117 | 20% | 0.196 | C | C | . | . | trans | -56.3 | 153 | 175.2 | -20.9 | 31.4 | 0 | 0 | 0 | 112.5 | E117 P118 L120 W211 G270 | E117-P134 HydrophobicContact CG-CB 3.97Å; P118-P134 HydrophobicContact CG-CB 3.96Å; L120-P134 HydrophobicContact CD1-CG 3.69Å; L120-P134 HydrophobicContact CG-CG 4.11Å; P134-W211 HydrophobicContact CB-CH2 3.89Å; P134-W211 HydrophobicContact CB-CZ3 4.25Å; P134-W211 HydrophobicContact CG-CH2 3.94Å; P134-G270 WeakPolarHBondContact O-CA 3.48Å; P134-G270 PolarHBondContact O-N 3.41Å | ||
| 135 | I | 98.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 125.2 | 166.8 | -63.3 | 163.4 | 0 | 0 | 0 | 106.3 | P118 W131 I137 M264 F271 V287 F291 | P118-I135 WeakPolarHBondContact CD-O 3.48Å; W131-I135 HydrophobicContact CD2-CD1 3.74Å; W131-I135 HydrophobicContact CE3-CD1 4.16Å; W131-I135 HydrophobicContact CG-CD1 4.18Å; W131-I135 HydrophobicContact CH2-CD1 4.28Å; W131-I135 HydrophobicContact CZ2-CD1 3.89Å; W131-I135 HydrophobicContact CZ3-CD1 4.39Å; I135-I137 HydrophobicContact CG2-CD1 4.1Å; I135-M264 HydrophobicContact CD1-CG 3.92Å; I135-M264 HydrophobicContact CD1-SD 4.48Å; I135-F271 HydrophobicContact CB-CZ 4.46Å; I135-F271 HydrophobicContact CD1-CE1 4.32Å; I135-F271 HydrophobicContact CD1-CZ 3.98Å; I135-F271 HydrophobicContact CG1-CE1 3.98Å; I135-F271 HydrophobicContact CG1-CE2 4.42Å; I135-F271 HydrophobicContact CG1-CZ 3.84Å; I135-F271 HydrophobicContact CG2-CD2 4.21Å; I135-F271 HydrophobicContact CG2-CE2 3.58Å; I135-F271 HydrophobicContact CG2-CZ 3.81Å; I135-V287 HydrophobicContact CB-CG1 4.04Å; I135-V287 HydrophobicContact CB-CG2 4.35Å; I135-V287 HydrophobicContact CG2-CG2 4.12Å; I135-F291 HydrophobicContact CB-CE2 4.45Å; I135-F291 HydrophobicContact CD1-CE2 4.34Å; I135-F291 HydrophobicContact CG1-CE2 4.37Å |
| 136 | V | 98.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 122.1 | 177.6 | 174.1 | 0 | 0 | 0 | 0 | 108.4 | F115 R116 E117 Y205 W211 F271 V272 W273 | F115-V136 HydrophobicContact CB-CG1 4.34Å; F115-V136 HydrophobicContact CD1-CG1 3.86Å; R116-V136 WeakPolarHBondContact O-CA 3.39Å; E117-V136 HydrophobicContact CB-CG2 3.92Å; E117-V136 HydrophobicContact CG-CG2 3.69Å; V136-Y205 HydrophobicContact CB-CE1 4.48Å; V136-Y205 HydrophobicContact CG1-CD1 4.15Å; V136-Y205 HydrophobicContact CG1-CE1 3.73Å; V136-Y205 HydrophobicContact CG2-CE1 4.15Å; V136-W211 HydrophobicContact CG2-CE3 4.37Å; V136-W211 HydrophobicContact CG2-CZ3 3.82Å; V136-F271 PolarHBondContact N-O 2.86Å; V136-F271 VanDerWaalsContact N-O 3.08Å; V136-V272 HydrophobicContact CB-CG1 4.49Å; V136-V272 HydrophobicContact CB-CG2 4.24Å; V136-V272 HydrophobicContact CG1-CG1 4.23Å; V136-V272 HydrophobicContact CG1-CG2 4.49Å; V136-V272 CarbonylContact O-C 3.59Å; V136-V272 WeakPolarHBondContact O-CA 3.14Å; V136-W273 PolarHBondContact O-N 2.9Å |
| 137 | I | 98.3 | Very high | 94.3 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 120.9 | 170.7 | -57.7 | -53.7 | 0 | 0 | 0 | 109 | F115 R116 I135 W273 V287 | F115-I137 CarbonylContact C-O 3.56Å; F115-I137 VanDerWaalsContact CA-O 3.27Å; F115-I137 WeakPolarHBondContact CA-O 3.35Å; R116-I137 PolarHBondContact N-O 3.03Å; R116-I137 PolarHBondContact O-N 3.4Å; I135-I137 HydrophobicContact CG2-CD1 4.1Å; I137-W273 WeakPolarHBondContact CA-O 3.5Å; I137-W273 HydrophobicContact CD1-CB 3.99Å; I137-W273 HydrophobicContact CD1-CD2 3.92Å; I137-W273 HydrophobicContact CD1-CE3 3.28Å; I137-W273 HydrophobicContact CD1-CG 4.25Å; I137-W273 HydrophobicContact CD1-CZ3 3.98Å; I137-V287 HydrophobicContact CD1-CG2 3.98Å; I137-V287 HydrophobicContact CG1-CB 4.48Å; I137-V287 HydrophobicContact CG1-CG2 4.12Å |
| 138 | G | 97.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 106.4 | 165.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | F198 W273 A274 C275 | G138-F198 WeakPolarHBondContact O-CE2 3.48Å; G138-F198 WeakPolarHBondContact O-CZ 3.27Å; G138-W273 PolarHBondContact N-O 2.7Å; G138-A274 CarbonylContact O-C 3.56Å; G138-A274 WeakPolarHBondContact O-CA 3.39Å; G138-C275 PolarHBondContact O-N 2.74Å |
| 139 | R | 96.9 | Very high | 94.3 | Very high | 12 Ų | 12 | 39.9 Ų | 39.9 | 5% | 0.045 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 124.2 | -179.9 | 174.8 | -174 | 173.9 | 172.4 | 7.9 | 110.6 | V114 A141 N277 D281 | V114-R139 HydrophobicContact CB-CB 4.31Å; V114-R139 PolarHBondContact N-O 3.23Å; V114-R139 VanDerWaalsContact N-O 3.11Å; V114-R139 PolarHBondContact O-N 2.6Å; R139-A141 PolarHBondContact O-N 2.72Å; R139-N277 PolarHBondContact NE-O 2.96Å; R139-N277 PolarHBondContact NE-OD1 3.28Å; R139-N277 PolarHBondContact NH2-OD1 2.95Å; R139-D281 IonicContact CZ-OD1 2.8Å; R139-D281 IonicContact CZ-OD2 2.75Å; R139-D281 IonicContact NH1-OD1 3.39Å; R139-D281 PolarHBondContact NH1-OD1 3.42Å; R139-D281 IonicContact NH1-OD2 3.1Å; R139-D281 PolarHBondContact NH1-OD2 2.9Å; R139-D281 IonicContact NH2-OD2 3.99Å; R139-D281 PolarHBondContact NH2-OD2 3.49Å |
| 140 | H | 95.7 | Very high | 94.4 | Very high | 4 Ų | 4 | 40.3 Ų | 40.3 | 2% | 0.019 | 21% | 0.212 | C | C | . | . | trans | -73.5 | 85.3 | 168.8 | -172.3 | -144.6 | 0 | 0 | 0 | 110.8 | H142 N190 S194 F198 F229 C275 N277 | H140-H142 PolarHBondContact O-N 3.06Å; H140-N190 PolarHBondContact CE1-OD1 3.19Å; H140-S194 PolarHBondContact NE2-O 3.44Å; H140-S194 PolarHBondContact NE2-OG 2.88Å; H140-F198 HydrophobicContact CB-CD1 3.68Å; H140-F198 HydrophobicContact CB-CD2 3.89Å; H140-F198 HydrophobicContact CB-CE1 3.7Å; H140-F198 HydrophobicContact CB-CE2 3.9Å; H140-F198 HydrophobicContact CB-CG 3.8Å; H140-F198 HydrophobicContact CB-CZ 3.8Å; H140-F198 VanDerWaalsContact CD2-CB 3.46Å; H140-F198 WeakPolarHBondContact CD2-CB 3.43Å; H140-F198 AromaticContact CD2-CD1 3.99Å; H140-F198 AromaticContact CD2-CG 3.62Å; H140-F198 AromaticContact CG-CD1 3.77Å; H140-F198 AromaticContact CG-CG 3.82Å; H140-F229 AromaticContact CE1-CE1 3.75Å; H140-F229 AromaticContact CE1-CZ 3.63Å; H140-F229 AromaticContact ND1-CE1 3.29Å; H140-F229 VanDerWaalsContact ND1-CE1 3.29Å; H140-F229 WeakPolarHBondContact ND1-CE1 3.29Å; H140-F229 AromaticContact ND1-CZ 3.33Å; H140-F229 VanDerWaalsContact ND1-CZ 3.33Å; H140-F229 WeakPolarHBondContact ND1-CZ 3.4Å; H140-C275 PolarHBondContact N-O 2.78Å; H140-N277 VanDerWaalsContact O-CA 3.23Å; H140-N277 WeakPolarHBondContact O-CA 3.22Å; H140-N277 WeakPolarHBondContact O-CB 2.97Å | ||
| 141 | A | 91.9 | Very high | 94.6 | Very high | 12 Ų | 12 | 43.7 Ų | 43.7 | 10% | 0.099 | 22% | 0.217 | C | C | . | . | trans | -77.3 | 45.8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | V114 R139 | V114-A141 HydrophobicContact CG2-CB 3.84Å; R139-A141 PolarHBondContact O-N 2.72Å | ||
| 142 | H | 92.2 | Very high | 94.7 | Very high | 36 Ų | 36 | 49.2 Ų | 49.2 | 17% | 0.167 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -141.2 | 150.8 | 179.7 | -174.3 | 96.1 | 0 | 0 | 0 | 111.2 | H140 N190 S194 N277 | H140-H142 PolarHBondContact O-N 3.06Å; H142-N190 PolarHBondContact CD2-OD1 3.29Å; H142-S194 WeakPolarHBondContact CB-OG 3.49Å; H142-S194 PolarHBondContact CD2-OG 2.85Å; H142-S194 VanDerWaalsContact CD2-OG 3.31Å; H142-N277 PolarHBondContact N-ND2 3.49Å |
| 143 | G | 91.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.227 | C | C | . | . | S | Bend | trans | 60.7 | -145.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113 | K147 Y189 N277 | G143-K147 PolarHBondContact O-N 3.31Å; G143-Y189 WeakPolarHBondContact CA-O 3.34Å; G143-N277 PolarHBondContact O-ND2 3.26Å |
| 144 | D | 93.3 | Very high | 94.8 | Very high | 6 Ų | 6 | 46.1 Ų | 46.1 | 3% | 0.032 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | 52.6 | -155.1 | -178.1 | -62.7 | -15.9 | 0 | 0 | 0 | 112.2 | Y146 K147 A148 M188 Y189 N190 Y225 N277 | D144-Y146 PolarHBondContact O-N 3.29Å; D144-K147 CarbonylContact O-C 3.54Å; D144-K147 PolarHBondContact O-N 2.73Å; D144-A148 PolarHBondContact O-N 3.2Å; D144-M188 HydrophobicContact CB-SD 4.48Å; D144-Y189 PolarHBondContact N-O 2.85Å; D144-N190 PolarHBondContact OD1-ND2 3.41Å; D144-Y225 WeakPolarHBondContact OD1-CE1 3.1Å; D144-Y225 PolarHBondContact OD1-OH 2.99Å; D144-N277 HydrophobicContact CB-CB 3.88Å; D144-N277 WeakPolarHBondContact OD2-CB 3.16Å; D144-N277 PolarHBondContact OD2-N 3.04Å |
| 145 | Q | 90.6 | Very high | 94.9 | Very high | 84 Ų | 84 | 51.8 Ų | 51.8 | 39% | 0.393 | 27% | 0.267 | S | S | . | . | G | 310 helix | trans | -60.9 | -21.9 | 179.9 | 67.9 | -177.5 | 57.5 | 0 | 0 | 114.5 | K147 A148 M186 M188 Y278 | Q145-K147 PolarHBondContact O-N 3.37Å; Q145-A148 PolarHBondContact O-N 2.93Å; Q145-M186 HydrophobicContact CB-SD 4.29Å; Q145-M188 HydrophobicContact CB-CE 4.43Å; Q145-Y278 VanDerWaalsContact CD-CD2 3.49Å |
| 146 | Y | 87.9 | Confident | 94.9 | Very high | 100 Ų | 100 | 54.8 Ų | 54.8 | 39% | 0.392 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -75.4 | -11.5 | 179.5 | -67.6 | -90 | 0 | 0 | 0 | 113.1 | D144 N277 Y278 D281 | D144-Y146 PolarHBondContact O-N 3.29Å; Y146-N277 HydrophobicContact CD2-CB 3.9Å; Y146-N277 VanDerWaalsContact CD2-ND2 3.3Å; Y146-N277 WeakPolarHBondContact CD2-ND2 3.37Å; Y146-N277 WeakPolarHBondContact CD2-OD1 3.33Å; Y146-N277 HydrophobicContact CE2-CB 4.25Å; Y146-Y278 HydrophobicContact CE2-CD2 4.32Å; Y146-D281 WeakPolarHBondContact OH-CB 3.27Å; Y146-D281 PolarHBondContact OH-OD2 2.75Å |
| 147 | K | 89.4 | Confident | 94.8 | Very high | 61 Ų | 61 | 56.4 Ų | 56.4 | 27% | 0.265 | 31% | 0.309 | S | S | . | . | G | 310 helix | trans | -131.2 | 23.3 | 171.6 | -67 | -166.3 | 176.6 | 179.8 | 0 | 112 | N108 G143 D144 Q145 Y189 | N108-K147 VanDerWaalsContact CG-CE 3.47Å; N108-K147 WeakPolarHBondContact ND2-CE 3.24Å; N108-K147 PolarHBondContact ND2-NZ 2.81Å; N108-K147 WeakPolarHBondContact OD1-CE 3.23Å; N108-K147 PolarHBondContact OD1-NZ 2.73Å; G143-K147 PolarHBondContact O-N 3.31Å; D144-K147 CarbonylContact O-C 3.54Å; D144-K147 PolarHBondContact O-N 2.73Å; Q145-K147 PolarHBondContact O-N 3.37Å; K147-Y189 HydrophobicContact CB-CE1 4.1Å |
| 148 | A | 93 | Very high | 94.8 | Very high | 22 Ų | 22 | 64 Ų | 64 | 18% | 0.182 | 34% | 0.337 | C | S | . | . | trans | -73.9 | 154.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | D144 Q145 M186 G187 M188 | D144-A148 PolarHBondContact O-N 3.2Å; Q145-A148 PolarHBondContact O-N 2.93Å; A148-M186 HydrophobicContact CB-CG 3.51Å; A148-M186 HydrophobicContact CB-SD 3.6Å; A148-M186 VanDerWaalsContact CB-SD 3.6Å; A148-G187 CarbonylContact C-O 3.57Å; A148-G187 WeakPolarHBondContact CA-O 3.37Å; A148-G187 VanDerWaalsContact CB-O 3.3Å; A148-G187 WeakPolarHBondContact CB-O 3.47Å; A148-M188 HydrophobicContact CB-CB 4.03Å | ||
| 149 | T | 94.8 | Very high | 94.8 | Very high | 109 Ų | 109 | 65.6 Ų | 65.6 | 67% | 0.669 | 35% | 0.346 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99 | 120.9 | 162.4 | -58.3 | 0 | 0 | 0 | 0 | 107.2 | M186 G187 | T149-M186 WeakPolarHBondContact O-CA 3.44Å; T149-G187 PolarHBondContact N-O 3.36Å; T149-G187 PolarHBondContact O-N 2.83Å |
| 150 | D | 95.4 | Very high | 94.9 | Very high | 120 Ų | 120 | 69 Ų | 69 | 64% | 0.642 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 154.4 | 176.1 | 70.3 | -39.7 | 0 | 0 | 0 | 111.9 | A185 M186 | D150-A185 VanDerWaalsContact CA-O 3.22Å; D150-A185 WeakPolarHBondContact CA-O 3.39Å; D150-A185 WeakPolarHBondContact CB-O 3.49Å; D150-M186 HydrophobicContact CB-CB 4.09Å; D150-M186 HydrophobicContact CB-CG 4.12Å |
| 151 | F | 97 | Very high | 94.9 | Very high | 106 Ų | 106 | 73.7 Ų | 73.7 | 47% | 0.465 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.7 | 160.2 | 178.8 | 65.1 | -79.2 | 0 | 0 | 0 | 111.9 | V153 L159 I184 A185 | F151-V153 HydrophobicContact CD2-CG2 4.17Å; F151-V153 HydrophobicContact CE2-CG2 3.69Å; F151-L159 HydrophobicContact CE1-CD1 4.46Å; F151-L159 HydrophobicContact CZ-CD1 3.83Å; F151-I184 WeakPolarHBondContact O-CA 3.47Å; F151-A185 HydrophobicContact CD1-CB 4.18Å; F151-A185 HydrophobicContact CE1-CB 3.64Å; F151-A185 HydrophobicContact CE2-CB 4.27Å; F151-A185 HydrophobicContact CZ-CB 3.69Å; F151-A185 PolarHBondContact N-O 3.06Å; F151-A185 PolarHBondContact O-N 3.39Å |
| 152 | T | 98.2 | Very high | 95.2 | Very high | 116 Ų | 116 | 76.5 Ų | 76.5 | 71% | 0.712 | 40% | 0.401 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 143.4 | 173 | 55 | 0 | 0 | 0 | 0 | 111.2 | I184 | T152-I184 HydrophobicContact CG2-CG2 4.2Å |
| 153 | V | 96.9 | Very high | 95.4 | Very high | 26 Ų | 26 | 81.1 Ų | 81.1 | 16% | 0.158 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 128.8 | 170 | 178.2 | 0 | 0 | 0 | 0 | 107.2 | F151 Q155 F179 A182 G183 | F151-V153 HydrophobicContact CD2-CG2 4.17Å; F151-V153 HydrophobicContact CE2-CG2 3.69Å; V153-Q155 WeakPolarHBondContact CG1-O 3.44Å; V153-F179 HydrophobicContact CG1-CD2 4.48Å; V153-F179 HydrophobicContact CG1-CG 4.32Å; V153-F179 HydrophobicContact CG2-CE2 4.28Å; V153-F179 HydrophobicContact CG2-CZ 4.47Å; V153-A182 CarbonylContact O-C 3.59Å; V153-A182 WeakPolarHBondContact O-CA 3.01Å; V153-A182 WeakPolarHBondContact O-CB 3.32Å; V153-G183 PolarHBondContact N-O 3.31Å; V153-G183 PolarHBondContact O-N 3.16Å |
| 154 | D | 97.6 | Very high | 95.7 | Very high | 135 Ų | 135 | 87 Ų | 87 | 72% | 0.722 | 45% | 0.451 | S | S | * | . | trans | -106.9 | -5.5 | -175.5 | 60.4 | -7.4 | 0 | 0 | 0 | 114 | ||||
| 155 | Q | 97.4 | Very high | 95.9 | Very high | 138 Ų | 138 | 87.7 Ų | 87.7 | 65% | 0.645 | 46% | 0.456 | S | S | * | . | S | Bend | trans | -144.6 | 167.5 | -176.9 | 64.5 | -176 | 16.3 | 0 | 0 | 112.5 | V153 | V153-Q155 WeakPolarHBondContact CG1-O 3.44Š|
| 156 | A | 98.1 | Very high | 96.2 | Very high | 63 Ų | 63 | 96.1 Ų | 96.1 | 52% | 0.521 | 48% | 0.484 | S | S | . | . | trans | -62.5 | 144.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | F179 | A156-F179 CarbonylContact C-O 3.57Å; A156-F179 WeakPolarHBondContact CA-O 3.26Å; A156-F179 WeakPolarHBondContact CB-O 3.5Å | ||
| 157 | G | 97.8 | Very high | 96.6 | Very high | 34 Ų | 34 | 96 Ų | 96 | 35% | 0.351 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 167.7 | 162.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | F179 | G157-F179 PolarHBondContact N-O 3.08Å; G157-F179 WeakPolarHBondContact O-CA 3.23Å; G157-F179 VanDerWaalsContact O-CB 3.31Å; G157-F179 WeakPolarHBondContact O-CB 3.45Å; G157-F179 PolarHBondContact O-N 3.31Å |
| 158 | R | 97.8 | Very high | 96.8 | Very high | 161 Ų | 161 | 96.4 Ų | 96.4 | 61% | 0.608 | 51% | 0.511 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 128.8 | 179.7 | -174.3 | 177.2 | -64.2 | 171.2 | 1.1 | 111.4 | E160 T175 | R158-E160 HydrophobicContact CG-CG 4.08Å; R158-T175 HydrophobicContact CG-CG2 3.98Å |
| 159 | L | 98.2 | Very high | 96.9 | Very high | 33 Ų | 33 | 102 Ų | 102 | 17% | 0.173 | 53% | 0.532 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 124.4 | 169.5 | 178.8 | 69.8 | 0 | 0 | 0 | 110.3 | F151 V176 Y177 F179 A185 | F151-L159 HydrophobicContact CE1-CD1 4.46Å; F151-L159 HydrophobicContact CZ-CD1 3.83Å; L159-V176 HydrophobicContact CB-CB 4.47Å; L159-V176 HydrophobicContact CD2-CB 3.8Å; L159-V176 HydrophobicContact CD2-CG1 3.73Å; L159-V176 HydrophobicContact CD2-CG2 4.45Å; L159-V176 HydrophobicContact CG-CB 3.95Å; L159-V176 HydrophobicContact CG-CG1 4.44Å; L159-V176 HydrophobicContact CG-CG2 4.39Å; L159-V176 PolarHBondContact O-N 3.21Å; L159-Y177 PolarHBondContact N-O 3.38Å; L159-Y177 PolarHBondContact O-N 2.93Å; L159-F179 HydrophobicContact CB-CD2 4.15Å; L159-F179 HydrophobicContact CB-CE2 3.77Å; L159-F179 HydrophobicContact CD2-CE2 3.95Å; L159-F179 HydrophobicContact CG-CE2 4.44Å; L159-A185 HydrophobicContact CD1-CB 4.14Å; L159-A185 HydrophobicContact CD2-CB 3.58Å |
| 160 | E | 97.9 | Very high | 97 | Very high | 84 Ų | 84 | 104.5 Ų | 104.5 | 39% | 0.393 | 54% | 0.536 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 145.1 | 175.1 | -59 | -170 | 142.5 | 0 | 0 | 110.9 | R158 V162 H174 | R158-E160 HydrophobicContact CG-CG 4.08Å; E160-V162 HydrophobicContact CB-CG2 4.19Å; E160-H174 CarbonylContact C-O 3.57Å; E160-H174 WeakPolarHBondContact CA-O 3.38Å |
| 161 | M | 96.9 | Very high | 97.1 | Very high | 102 Ų | 102 | 101.2 Ų | 101.2 | 50% | 0.502 | 52% | 0.521 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 121.1 | 166.5 | -176.2 | 179.1 | -64.7 | 0 | 0 | 108.1 | K173 H174 V176 | M161-K173 WeakPolarHBondContact O-CA 3.3Å; M161-H174 PolarHBondContact N-O 3.29Å; M161-H174 PolarHBondContact O-N 3.48Å; M161-V176 HydrophobicContact CB-CG2 3.72Å; M161-V176 HydrophobicContact CE-CG2 4.35Å |
| 162 | V | 97.4 | Very high | 97.1 | Very high | 70 Ų | 70 | 100.2 Ų | 100.2 | 42% | 0.424 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 124.1 | -174 | -174.1 | 0 | 0 | 0 | 0 | 109.9 | E160 I164 P171 I172 K173 | E160-V162 HydrophobicContact CB-CG2 4.19Å; V162-I164 HydrophobicContact CG1-CG1 4.14Å; V162-P171 HydrophobicContact CG1-CB 4.02Å; V162-I172 CarbonylContact C-O 3.53Å; V162-I172 WeakPolarHBondContact CA-O 3.38Å; V162-K173 HydrophobicContact CG1-CG 4.1Å; V162-K173 HydrophobicContact CG2-CG 4.09Å |
| 163 | F | 97.1 | Very high | 97.1 | Very high | 133 Ų | 133 | 100.9 Ų | 100.9 | 58% | 0.583 | 51% | 0.512 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 126.6 | 169.6 | 176.6 | -98.7 | 0 | 0 | 0 | 109.3 | P165 P171 I172 | F163-P165 HydrophobicContact CD1-CG 4.11Å; F163-P165 HydrophobicContact CE1-CB 4.33Å; F163-P165 HydrophobicContact CE1-CG 3.98Å; F163-P165 WeakPolarHBondContact O-CD 3.28Å; F163-P171 CarbonylContact O-C 3.58Å; F163-P171 VanDerWaalsContact O-CA 3.32Å; F163-P171 WeakPolarHBondContact O-CA 3.45Å; F163-I172 HydrophobicContact CB-CB 4.33Å; F163-I172 HydrophobicContact CD1-CD1 4.05Å; F163-I172 PolarHBondContact N-O 2.9Å; F163-I172 PolarHBondContact O-N 3.2Å |
| 164 | I | 97.3 | Very high | 97.1 | Very high | 124 Ų | 124 | 105.2 Ų | 105.2 | 64% | 0.636 | 53% | 0.531 | S | S | * | . | trans | -107.7 | 105.8 | -179 | -58.3 | 168.7 | 0 | 0 | 0 | 108.1 | V162 P171 | V162-I164 HydrophobicContact CG1-CG1 4.14Å; I164-P171 HydrophobicContact CG1-CB 4.33Å; I164-P171 HydrophobicContact CG1-CG 4.44Å | ||
| 165 | P | 97.4 | Very high | 97.1 | Very high | 21 Ų | 21 | 102.8 Ų | 102.8 | 14% | 0.136 | 52% | 0.521 | C | S | . | . | trans | -60.7 | 140.5 | 176.3 | -23.4 | 34.8 | 0 | 0 | 0 | 112.1 | F163 D167 K169 | F163-P165 HydrophobicContact CD1-CG 4.11Å; F163-P165 HydrophobicContact CE1-CB 4.33Å; F163-P165 HydrophobicContact CE1-CG 3.98Å; F163-P165 WeakPolarHBondContact O-CD 3.28Å; P165-D167 VanDerWaalsContact C-N 3.27Å; P165-D167 WeakPolarHBondContact CB-OD1 3.41Å; P165-D167 PolarHBondContact O-N 2.85Å; P165-K169 HydrophobicContact CB-CB 4.19Å; P165-K169 HydrophobicContact CG-CB 4.18Å | ||
| 166 | R | 96.8 | Very high | 97.1 | Very high | 260 Ų | 260 | 100 Ų | 100 | 98% | 0.981 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -17.8 | 176.3 | -69.3 | -175.6 | 179.2 | 165.2 | -0.2 | 113.6 | G168 | R166-G168 PolarHBondContact O-N 2.98Š|
| 167 | D | 96 | Very high | 97.1 | Very high | 99 Ų | 99 | 103.1 Ų | 103.1 | 53% | 0.529 | 51% | 0.512 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | 6.1 | -179.6 | 66.4 | -7 | 0 | 0 | 0 | 113.2 | P165 K169 | P165-D167 VanDerWaalsContact C-N 3.27Å; P165-D167 WeakPolarHBondContact CB-OD1 3.41Å; P165-D167 PolarHBondContact O-N 2.85Å; D167-K169 VanDerWaalsContact C-N 3.28Å; D167-K169 PolarHBondContact O-N 3.23Å; D167-K169 WeakPolarHBondContact OD1-CB 3.42Å; D167-K169 WeakPolarHBondContact OD1-CG 3.34Å; D167-K169 PolarHBondContact OD1-N 3Å; D167-K169 VanDerWaalsContact OD2-CD 3.28Å; D167-K169 WeakPolarHBondContact OD2-CD 3.41Å; D167-K169 VanDerWaalsContact OD2-CE 3.22Å; D167-K169 WeakPolarHBondContact OD2-CE 3.22Å; D167-K169 IonicContact OD2-NZ 2.73Å; D167-K169 PolarHBondContact OD2-NZ 3.04Å |
| 168 | G | 93.6 | Very high | 97.1 | Very high | 69 Ų | 69 | 104.7 Ų | 104.7 | 71% | 0.711 | 51% | 0.513 | S | S | * | . | S | Bend | trans | 78.5 | 5.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | R166 | R166-G168 PolarHBondContact O-N 2.98Š|
| 169 | K | 95.6 | Very high | 97.1 | Very high | 139 Ų | 139 | 98 Ų | 98 | 60% | 0.604 | 49% | 0.488 | S | S | * | . | P | Polyproline II helix | trans | -64.6 | 158.8 | 170.4 | -72 | 178.9 | -175.9 | 134.7 | 0 | 111.5 | P165 D167 | P165-K169 HydrophobicContact CB-CB 4.19Å; P165-K169 HydrophobicContact CG-CB 4.18Å; D167-K169 VanDerWaalsContact C-N 3.28Å; D167-K169 PolarHBondContact O-N 3.23Å; D167-K169 WeakPolarHBondContact OD1-CB 3.42Å; D167-K169 WeakPolarHBondContact OD1-CG 3.34Å; D167-K169 PolarHBondContact OD1-N 3Å; D167-K169 VanDerWaalsContact OD2-CD 3.28Å; D167-K169 WeakPolarHBondContact OD2-CD 3.41Å; D167-K169 VanDerWaalsContact OD2-CE 3.22Å; D167-K169 WeakPolarHBondContact OD2-CE 3.22Å; D167-K169 IonicContact OD2-NZ 2.73Å; D167-K169 PolarHBondContact OD2-NZ 3.04Å |
| 170 | E | 97.2 | Very high | 97.1 | Very high | 162 Ų | 162 | 103.8 Ų | 103.8 | 76% | 0.757 | 51% | 0.514 | S | S | * | . | P | Polyproline II helix | trans | -53.8 | 137.4 | 178.5 | -70.2 | -58 | 140.6 | 0 | 0 | 112.3 | I172 | E170-I172 PolarHBondContact O-N 3.35Š|
| 171 | P | 97.5 | Very high | 97.1 | Very high | 51 Ų | 51 | 103.5 Ų | 103.5 | 33% | 0.331 | 52% | 0.521 | S | S | . | . | P | Polyproline II helix | trans | -58.4 | 136.8 | 175.9 | -24.4 | 33.9 | 0 | 0 | 0 | 112.3 | V162 F163 I164 | V162-P171 HydrophobicContact CG1-CB 4.02Å; F163-P171 CarbonylContact O-C 3.58Å; F163-P171 VanDerWaalsContact O-CA 3.32Å; F163-P171 WeakPolarHBondContact O-CA 3.45Å; I164-P171 HydrophobicContact CG1-CB 4.33Å; I164-P171 HydrophobicContact CG1-CG 4.44Å |
| 172 | I | 97 | Very high | 97.1 | Very high | 85 Ų | 85 | 101.7 Ų | 101.7 | 44% | 0.436 | 52% | 0.522 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 121.7 | 170.6 | -56.4 | 172.9 | 0 | 0 | 0 | 107.3 | V162 F163 E170 H174 | V162-I172 CarbonylContact C-O 3.53Å; V162-I172 WeakPolarHBondContact CA-O 3.38Å; F163-I172 HydrophobicContact CB-CB 4.33Å; F163-I172 HydrophobicContact CD1-CD1 4.05Å; F163-I172 PolarHBondContact N-O 2.9Å; F163-I172 PolarHBondContact O-N 3.2Å; E170-I172 PolarHBondContact O-N 3.35Å; I172-H174 WeakPolarHBondContact CG2-NE2 3.45Å |
| 173 | K | 97.5 | Very high | 97.1 | Very high | 129 Ų | 129 | 99.5 Ų | 99.5 | 56% | 0.561 | 52% | 0.515 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 131.2 | 179.9 | -60.5 | -172 | -179.6 | -176.9 | 0 | 110.9 | M161 V162 | M161-K173 WeakPolarHBondContact O-CA 3.3Å; V162-K173 HydrophobicContact CG1-CG 4.1Å; V162-K173 HydrophobicContact CG2-CG 4.09Å |
| 174 | H | 97 | Very high | 97.2 | Very high | 117 Ų | 117 | 99.5 Ų | 99.5 | 54% | 0.542 | 52% | 0.519 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 125.7 | 171.6 | -65.2 | -71.7 | 0 | 0 | 0 | 109.6 | E160 M161 I172 V176 | E160-H174 CarbonylContact C-O 3.57Å; E160-H174 WeakPolarHBondContact CA-O 3.38Å; M161-H174 PolarHBondContact N-O 3.29Å; M161-H174 PolarHBondContact O-N 3.48Å; I172-H174 WeakPolarHBondContact CG2-NE2 3.45Å; H174-V176 PolarHBondContact O-N 2.67Å |
| 175 | T | 97.7 | Very high | 97.2 | Very high | 84 Ų | 84 | 94.1 Ų | 94.1 | 52% | 0.515 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 123.5 | 166.9 | -54.8 | 0 | 0 | 0 | 0 | 108.6 | R158 | R158-T175 HydrophobicContact CG-CG2 3.98Å |
| 176 | V | 97.2 | Very high | 97.2 | Very high | 79 Ų | 79 | 97.9 Ų | 97.9 | 48% | 0.479 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | -51.2 | 177.1 | 178.9 | 0 | 0 | 0 | 0 | 109.5 | L159 M161 H174 | L159-V176 HydrophobicContact CB-CB 4.47Å; L159-V176 HydrophobicContact CD2-CB 3.8Å; L159-V176 HydrophobicContact CD2-CG1 3.73Å; L159-V176 HydrophobicContact CD2-CG2 4.45Å; L159-V176 HydrophobicContact CG-CB 3.95Å; L159-V176 HydrophobicContact CG-CG1 4.44Å; L159-V176 HydrophobicContact CG-CG2 4.39Å; L159-V176 PolarHBondContact O-N 3.21Å; M161-V176 HydrophobicContact CB-CG2 3.72Å; M161-V176 HydrophobicContact CE-CG2 4.35Å; H174-V176 PolarHBondContact O-N 2.67Å |
| 177 | Y | 98.1 | Very high | 97.1 | Very high | 129 Ų | 129 | 86.9 Ų | 86.9 | 51% | 0.506 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.3 | 154.6 | -178.8 | -167.8 | -112.8 | 0 | 0 | 0 | 111.2 | L159 F179 | L159-Y177 PolarHBondContact N-O 3.38Å; L159-Y177 PolarHBondContact O-N 2.93Å; Y177-F179 AromaticContact CD1-CD1 3.81Å; Y177-F179 HydrophobicContact CD1-CD1 3.81Å; Y177-F179 AromaticContact CD1-CD2 3.89Å; Y177-F179 HydrophobicContact CD1-CD2 3.89Å; Y177-F179 AromaticContact CD1-CE1 3.85Å; Y177-F179 HydrophobicContact CD1-CE1 3.85Å; Y177-F179 AromaticContact CD1-CE2 3.94Å; Y177-F179 HydrophobicContact CD1-CE2 3.94Å; Y177-F179 AromaticContact CD1-CG 3.81Å; Y177-F179 HydrophobicContact CD1-CG 3.81Å; Y177-F179 AromaticContact CD1-CZ 3.93Å; Y177-F179 HydrophobicContact CD1-CZ 3.93Å; Y177-F179 AromaticContact CE1-CD1 3.93Å; Y177-F179 HydrophobicContact CE1-CD1 3.93Å; Y177-F179 HydrophobicContact CE1-CE1 4.19Å; Y177-F179 HydrophobicContact CE1-CG 4.19Å |
| 178 | D | 98 | Very high | 97.1 | Very high | 68 Ų | 68 | 85.7 Ų | 85.7 | 36% | 0.364 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 104.7 | 171 | -162.3 | 3.8 | 0 | 0 | 0 | 108.6 | ||
| 179 | F | 98 | Very high | 97.2 | Very high | 21 Ų | 21 | 87.6 Ų | 87.6 | 9% | 0.092 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 126.3 | -177.7 | -73 | -86.8 | 0 | 0 | 0 | 110.4 | V153 A156 G157 L159 Y177 | V153-F179 HydrophobicContact CG1-CD2 4.48Å; V153-F179 HydrophobicContact CG1-CG 4.32Å; V153-F179 HydrophobicContact CG2-CE2 4.28Å; V153-F179 HydrophobicContact CG2-CZ 4.47Å; A156-F179 CarbonylContact C-O 3.57Å; A156-F179 WeakPolarHBondContact CA-O 3.26Å; A156-F179 WeakPolarHBondContact CB-O 3.5Å; G157-F179 PolarHBondContact N-O 3.08Å; G157-F179 WeakPolarHBondContact O-CA 3.23Å; G157-F179 VanDerWaalsContact O-CB 3.31Å; G157-F179 WeakPolarHBondContact O-CB 3.45Å; G157-F179 PolarHBondContact O-N 3.31Å; L159-F179 HydrophobicContact CB-CD2 4.15Å; L159-F179 HydrophobicContact CB-CE2 3.77Å; L159-F179 HydrophobicContact CD2-CE2 3.95Å; L159-F179 HydrophobicContact CG-CE2 4.44Å; Y177-F179 AromaticContact CD1-CD1 3.81Å; Y177-F179 HydrophobicContact CD1-CD1 3.81Å; Y177-F179 AromaticContact CD1-CD2 3.89Å; Y177-F179 HydrophobicContact CD1-CD2 3.89Å; Y177-F179 AromaticContact CD1-CE1 3.85Å; Y177-F179 HydrophobicContact CD1-CE1 3.85Å; Y177-F179 AromaticContact CD1-CE2 3.94Å; Y177-F179 HydrophobicContact CD1-CE2 3.94Å; Y177-F179 AromaticContact CD1-CG 3.81Å; Y177-F179 HydrophobicContact CD1-CG 3.81Å; Y177-F179 AromaticContact CD1-CZ 3.93Å; Y177-F179 HydrophobicContact CD1-CZ 3.93Å; Y177-F179 AromaticContact CE1-CD1 3.93Å; Y177-F179 HydrophobicContact CE1-CD1 3.93Å; Y177-F179 HydrophobicContact CE1-CE1 4.19Å; Y177-F179 HydrophobicContact CE1-CG 4.19Å |
| 180 | H | 97.8 | Very high | 97.3 | Very high | 153 Ų | 153 | 82.5 Ų | 82.5 | 71% | 0.708 | 44% | 0.436 | S | S | * | . | S | Bend | trans | -94.2 | -9.6 | 171 | -59.7 | -52.5 | 0 | 0 | 0 | 113.2 | ||
| 181 | S | 97.6 | Very high | 97.2 | Very high | 78 Ų | 78 | 77.2 Ų | 77.2 | 55% | 0.545 | 42% | 0.415 | S | S | . | . | S | Bend | trans | -160.7 | -176.2 | -180 | 62.8 | 0 | 0 | 0 | 0 | 109.5 | ||
| 182 | A | 98.1 | Very high | 97.2 | Very high | 64 Ų | 64 | 77.8 Ų | 77.8 | 53% | 0.529 | 42% | 0.415 | S | S | . | . | trans | -52.2 | 151.5 | 175 | 0 | 0 | 0 | 0 | 0 | 113.3 | V153 | V153-A182 CarbonylContact O-C 3.59Å; V153-A182 WeakPolarHBondContact O-CA 3.01Å; V153-A182 WeakPolarHBondContact O-CB 3.32Å | ||
| 183 | G | 97.9 | Very high | 97.1 | Very high | 25 Ų | 25 | 81.6 Ų | 81.6 | 26% | 0.258 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -172.3 | -163.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | V153 | V153-G183 PolarHBondContact N-O 3.31Å; V153-G183 PolarHBondContact O-N 3.16Å |
| 184 | I | 98.1 | Very high | 97 | Very high | 132 Ų | 132 | 76.7 Ų | 76.7 | 68% | 0.677 | 41% | 0.413 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 150.5 | 179.6 | 56 | 175.4 | 0 | 0 | 0 | 109.7 | F151 T152 | F151-I184 WeakPolarHBondContact O-CA 3.47Å; T152-I184 HydrophobicContact CG2-CG2 4.2Å |
| 185 | A | 97.7 | Very high | 97 | Very high | 11 Ų | 11 | 71.3 Ų | 71.3 | 9% | 0.091 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 149.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | D150 F151 L159 | D150-A185 VanDerWaalsContact CA-O 3.22Å; D150-A185 WeakPolarHBondContact CA-O 3.39Å; D150-A185 WeakPolarHBondContact CB-O 3.49Å; F151-A185 HydrophobicContact CD1-CB 4.18Å; F151-A185 HydrophobicContact CE1-CB 3.64Å; F151-A185 HydrophobicContact CE2-CB 4.27Å; F151-A185 HydrophobicContact CZ-CB 3.69Å; F151-A185 PolarHBondContact N-O 3.06Å; F151-A185 PolarHBondContact O-N 3.39Å; L159-A185 HydrophobicContact CD1-CB 4.14Å; L159-A185 HydrophobicContact CD2-CB 3.58Å |
| 186 | M | 96.6 | Very high | 96.9 | Very high | 100 Ų | 100 | 70.8 Ų | 70.8 | 49% | 0.493 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 136.6 | 177.6 | -178.3 | -178.7 | 56.4 | 0 | 0 | 110.2 | Q145 A148 T149 D150 M188 | Q145-M186 HydrophobicContact CB-SD 4.29Å; A148-M186 HydrophobicContact CB-CG 3.51Å; A148-M186 HydrophobicContact CB-SD 3.6Å; A148-M186 VanDerWaalsContact CB-SD 3.6Å; T149-M186 WeakPolarHBondContact O-CA 3.44Å; D150-M186 HydrophobicContact CB-CB 4.09Å; D150-M186 HydrophobicContact CB-CG 4.12Å; M186-M188 HydrophobicContact CE-CE 3.31Å; M186-M188 HydrophobicContact SD-CE 4.14Å |
| 187 | G | 96 | Very high | 96.7 | Very high | 30 Ų | 30 | 67.5 Ų | 67.5 | 31% | 0.309 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 131.5 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | A148 T149 | A148-G187 CarbonylContact C-O 3.57Å; A148-G187 WeakPolarHBondContact CA-O 3.37Å; A148-G187 VanDerWaalsContact CB-O 3.3Å; A148-G187 WeakPolarHBondContact CB-O 3.47Å; T149-G187 PolarHBondContact N-O 3.36Å; T149-G187 PolarHBondContact O-N 2.83Å |
| 188 | M | 95.7 | Very high | 96.7 | Very high | 73 Ų | 73 | 61.5 Ų | 61.5 | 36% | 0.36 | 34% | 0.336 | S | S | . | . | trans | -128.1 | 159.4 | 176.7 | 69.3 | 179.2 | 74 | 0 | 0 | 111.2 | D144 Q145 A148 M186 Y225 | D144-M188 HydrophobicContact CB-SD 4.48Å; Q145-M188 HydrophobicContact CB-CE 4.43Å; A148-M188 HydrophobicContact CB-CB 4.03Å; M186-M188 HydrophobicContact CE-CE 3.31Å; M186-M188 HydrophobicContact SD-CE 4.14Å; M188-Y225 HydrophobicContact CG-CE2 4.28Å | ||
| 189 | Y | 95.9 | Very high | 96.6 | Very high | 109 Ų | 109 | 58.3 Ų | 58.3 | 43% | 0.427 | 32% | 0.318 | S | S | . | . | trans | -141.7 | 165 | -176.6 | 75 | -83.4 | 0 | 0 | 0 | 111.3 | G143 D144 K147 T191 Y225 | G143-Y189 WeakPolarHBondContact CA-O 3.34Å; D144-Y189 PolarHBondContact N-O 2.85Å; K147-Y189 HydrophobicContact CB-CE1 4.1Å; Y189-T191 HydrophobicContact CD2-CG2 4.48Å; Y189-T191 HydrophobicContact CE2-CG2 4.48Å; Y189-Y225 PolarHBondContact O-OH 3.43Å | ||
| 190 | N | 96.6 | Very high | 96.4 | Very high | 32 Ų | 32 | 60.5 Ų | 60.5 | 17% | 0.171 | 33% | 0.328 | C | S | . | . | trans | -148.3 | 167.9 | 166.2 | -116.7 | -57.2 | 0 | 0 | 0 | 109.4 | H140 H142 D144 I195 Y225 F229 | H140-N190 PolarHBondContact CE1-OD1 3.19Å; H142-N190 PolarHBondContact CD2-OD1 3.29Å; D144-N190 PolarHBondContact OD1-ND2 3.41Å; N190-I195 HydrophobicContact CB-CD1 4.36Å; N190-Y225 HydrophobicContact CB-CE1 4.39Å; N190-Y225 HydrophobicContact CB-CE2 4.35Å; N190-Y225 WeakPolarHBondContact CB-OH 3.26Å; N190-Y225 PolarHBondContact ND2-OH 2.7Å; N190-F229 HydrophobicContact CB-CE2 4.29Å | ||
| 191 | T | 96.1 | Very high | 96.2 | Very high | 51 Ų | 51 | 53.5 Ų | 53.5 | 31% | 0.313 | 30% | 0.296 | S | S | . | . | trans | -124 | 145.8 | 179.7 | 70.5 | 0 | 0 | 0 | 0 | 111.1 | Y189 E193 S194 I195 | Y189-T191 HydrophobicContact CD2-CG2 4.48Å; Y189-T191 HydrophobicContact CE2-CG2 4.48Å; T191-E193 PolarHBondContact O-N 3.18Å; T191-S194 PolarHBondContact O-N 2.67Å; T191-S194 VanDerWaalsContact O-N 3.15Å; T191-S194 VanDerWaalsContact OG1-CB 3.29Å; T191-S194 WeakPolarHBondContact OG1-CB 3.49Å; T191-S194 PolarHBondContact OG1-N 3.16Å; T191-S194 VanDerWaalsContact OG1-N 3.15Å; T191-I195 VanDerWaalsContact O-CG1 3.3Å; T191-I195 WeakPolarHBondContact O-CG1 3.5Å; T191-I195 PolarHBondContact O-N 3.45Å | ||
| 192 | D | 97.4 | Very high | 96.2 | Very high | 64 Ų | 64 | 49.8 Ų | 49.8 | 34% | 0.342 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -55.8 | -40.3 | 174.5 | -77.8 | 0.2 | 0 | 0 | 0 | 111.6 | S194 I195 R196 R228 I232 | D192-S194 PolarHBondContact O-N 3.4Å; D192-I195 PolarHBondContact O-N 3.17Å; D192-R196 VanDerWaalsContact O-CB 3.31Å; D192-R196 WeakPolarHBondContact O-CB 3.49Å; D192-R196 WeakPolarHBondContact O-CG 3.47Å; D192-R196 PolarHBondContact O-N 3.12Å; D192-R228 WeakPolarHBondContact OD1-CG 3.41Å; D192-R228 IonicContact OD1-CZ 3.45Å; D192-R228 IonicContact OD1-NE 2.98Å; D192-R228 PolarHBondContact OD1-NE 2.89Å; D192-R228 IonicContact OD1-NH2 2.68Å; D192-R228 IonicContact OD2-CZ 3.19Å; D192-R228 IonicContact OD2-NE 3.93Å; D192-R228 PolarHBondContact OD2-NE 3.42Å; D192-R228 IonicContact OD2-NH2 3.86Å; D192-R228 PolarHBondContact OD2-NH2 3.04Å; D192-I232 HydrophobicContact CB-CD1 4.11Å |
| 193 | E | 94.8 | Very high | 96.1 | Very high | 165 Ų | 165 | 46.7 Ų | 46.7 | 77% | 0.771 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -56.9 | -48.5 | 176.6 | -178.1 | -177.9 | -175.1 | 0 | 0 | 111.6 | T191 R196 G197 | T191-E193 PolarHBondContact O-N 3.18Å; E193-R196 PolarHBondContact O-N 3.23Å; E193-G197 PolarHBondContact O-N 2.84Å |
| 194 | S | 94.4 | Very high | 95.9 | Very high | 25 Ų | 25 | 48.7 Ų | 48.7 | 18% | 0.175 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66.5 | -41.1 | 180 | -172.9 | 0 | 0 | 0 | 0 | 112.1 | H140 H142 T191 D192 G197 F198 | H140-S194 PolarHBondContact NE2-O 3.44Å; H140-S194 PolarHBondContact NE2-OG 2.88Å; H142-S194 WeakPolarHBondContact CB-OG 3.49Å; H142-S194 PolarHBondContact CD2-OG 2.85Å; H142-S194 VanDerWaalsContact CD2-OG 3.31Å; T191-S194 PolarHBondContact O-N 2.67Å; T191-S194 VanDerWaalsContact O-N 3.15Å; T191-S194 VanDerWaalsContact OG1-CB 3.29Å; T191-S194 WeakPolarHBondContact OG1-CB 3.49Å; T191-S194 PolarHBondContact OG1-N 3.16Å; T191-S194 VanDerWaalsContact OG1-N 3.15Å; D192-S194 PolarHBondContact O-N 3.4Å; S194-G197 PolarHBondContact O-N 3.42Å; S194-F198 WeakPolarHBondContact O-CB 3.25Å; S194-F198 PolarHBondContact O-N 3.12Å |
| 195 | I | 97 | Very high | 95.6 | Very high | 4 Ų | 4 | 44.2 Ų | 44.2 | 2% | 0.021 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -65.9 | -41.3 | 177.8 | -62.6 | 168.5 | 0 | 0 | 0 | 110.6 | N190 T191 D192 F198 A199 R228 F229 I232 F233 | N190-I195 HydrophobicContact CB-CD1 4.36Å; T191-I195 VanDerWaalsContact O-CG1 3.3Å; T191-I195 WeakPolarHBondContact O-CG1 3.5Å; T191-I195 PolarHBondContact O-N 3.45Å; D192-I195 PolarHBondContact O-N 3.17Å; I195-F198 WeakPolarHBondContact O-CB 3.37Å; I195-F198 PolarHBondContact O-N 3.32Å; I195-A199 WeakPolarHBondContact O-CB 3.46Å; I195-A199 PolarHBondContact O-N 3.3Å; I195-R228 HydrophobicContact CD1-CG 4.35Å; I195-F229 HydrophobicContact CD1-CD1 4.48Å; I195-F229 HydrophobicContact CD1-CD2 3.7Å; I195-F229 HydrophobicContact CD1-CE1 4.41Å; I195-F229 HydrophobicContact CD1-CE2 3.6Å; I195-F229 HydrophobicContact CD1-CG 4.16Å; I195-F229 HydrophobicContact CD1-CZ 3.99Å; I195-F229 HydrophobicContact CG1-CD1 4.13Å; I195-F229 HydrophobicContact CG1-CD2 4.17Å; I195-F229 HydrophobicContact CG1-CE1 3.82Å; I195-F229 HydrophobicContact CG1-CE2 3.86Å; I195-F229 HydrophobicContact CG1-CG 4.31Å; I195-F229 HydrophobicContact CG1-CZ 3.68Å; I195-F229 HydrophobicContact CG2-CD1 3.88Å; I195-F229 HydrophobicContact CG2-CE1 4.3Å; I195-F229 HydrophobicContact CG2-CG 4.12Å; I195-I232 HydrophobicContact CB-CD1 4.03Å; I195-I232 HydrophobicContact CD1-CD1 4.34Å; I195-I232 HydrophobicContact CG2-CB 3.9Å; I195-I232 HydrophobicContact CG2-CD1 3.86Å; I195-I232 HydrophobicContact CG2-CG1 4.47Å; I195-I232 HydrophobicContact CG2-CG2 3.78Å; I195-F233 HydrophobicContact CG2-CD2 4.48Å; I195-F233 HydrophobicContact CG2-CE2 4.47Å |
| 196 | R | 96.1 | Very high | 95.5 | Very high | 73 Ų | 73 | 43.7 Ų | 43.7 | 28% | 0.275 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -64.1 | -44.6 | 176.6 | -73.7 | 179 | 179.4 | -76.2 | -3.1 | 111.5 | D192 E193 F198 A199 K200 I232 E235 I236 | D192-R196 VanDerWaalsContact O-CB 3.31Å; D192-R196 WeakPolarHBondContact O-CB 3.49Å; D192-R196 WeakPolarHBondContact O-CG 3.47Å; D192-R196 PolarHBondContact O-N 3.12Å; E193-R196 PolarHBondContact O-N 3.23Å; R196-F198 VanDerWaalsContact C-N 3.34Å; R196-A199 PolarHBondContact O-N 3.36Å; R196-K200 WeakPolarHBondContact O-CG 3.44Å; R196-K200 PolarHBondContact O-N 3.26Å; R196-I232 HydrophobicContact CB-CG2 4.36Å; R196-I232 HydrophobicContact CG-CD1 4.48Å; R196-I232 HydrophobicContact CG-CG2 3.48Å; R196-I232 VanDerWaalsContact CG-CG2 3.48Å; R196-E235 IonicContact CZ-OE1 3.28Å; R196-E235 VanDerWaalsContact CZ-OE1 3.31Å; R196-E235 IonicContact CZ-OE2 3.48Å; R196-E235 IonicContact NH1-OE1 2.99Å; R196-E235 PolarHBondContact NH1-OE1 3.37Å; R196-E235 IonicContact NH1-OE2 2.76Å; R196-E235 VanDerWaalsContact NH2-CD 3.3Å; R196-E235 IonicContact NH2-OE1 2.93Å; R196-E235 PolarHBondContact NH2-OE1 3.32Å; R196-E235 IonicContact NH2-OE2 2.87Å; R196-E235 PolarHBondContact NH2-OE2 3.1Å; R196-I236 HydrophobicContact CB-CD1 4.09Å; R196-I236 HydrophobicContact CG-CD1 4.03Å |
| 197 | G | 93.8 | Very high | 95.5 | Very high | 11 Ų | 11 | 39.7 Ų | 39.7 | 11% | 0.113 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58.1 | -47.1 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | E193 S194 A199 K200 S201 | E193-G197 PolarHBondContact O-N 2.84Å; S194-G197 PolarHBondContact O-N 3.42Å; G197-A199 PolarHBondContact O-N 3.06Å; G197-K200 PolarHBondContact O-N 2.87Å; G197-S201 PolarHBondContact O-N 2.95Å; G197-S201 PolarHBondContact O-OG 2.94Å |
| 198 | F | 96.2 | Very high | 95.2 | Very high | 3 Ų | 3 | 43.8 Ų | 43.8 | 1% | 0.013 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.2 | -47.2 | 175.9 | 174.5 | -131.5 | 0 | 0 | 0 | 113.2 | T113 G138 H140 S194 I195 R196 S201 C202 L215 F229 F233 A274 C275 | T113-F198 HydrophobicContact CG2-CD2 3.52Å; T113-F198 HydrophobicContact CG2-CE2 3.58Å; T113-F198 WeakPolarHBondContact OG1-CD2 3.33Å; G138-F198 WeakPolarHBondContact O-CE2 3.48Å; G138-F198 WeakPolarHBondContact O-CZ 3.27Å; H140-F198 HydrophobicContact CB-CD1 3.68Å; H140-F198 HydrophobicContact CB-CD2 3.89Å; H140-F198 HydrophobicContact CB-CE1 3.7Å; H140-F198 HydrophobicContact CB-CE2 3.9Å; H140-F198 HydrophobicContact CB-CG 3.8Å; H140-F198 HydrophobicContact CB-CZ 3.8Å; H140-F198 VanDerWaalsContact CD2-CB 3.46Å; H140-F198 WeakPolarHBondContact CD2-CB 3.43Å; H140-F198 AromaticContact CD2-CD1 3.99Å; H140-F198 AromaticContact CD2-CG 3.62Å; H140-F198 AromaticContact CG-CD1 3.77Å; H140-F198 AromaticContact CG-CG 3.82Å; S194-F198 WeakPolarHBondContact O-CB 3.25Å; S194-F198 PolarHBondContact O-N 3.12Å; I195-F198 WeakPolarHBondContact O-CB 3.37Å; I195-F198 PolarHBondContact O-N 3.32Å; R196-F198 VanDerWaalsContact C-N 3.34Å; F198-S201 PolarHBondContact O-N 3.45Å; F198-C202 WeakPolarHBondContact CE2-SG 3.3Å; F198-C202 PolarHBondContact O-N 3.28Å; F198-C202 PolarHBondContact O-SG 3.4Å; F198-L215 HydrophobicContact CE1-CD1 4.31Å; F198-F229 HydrophobicContact CD1-CD1 4.42Å; F198-F229 HydrophobicContact CD1-CE1 4.19Å; F198-F229 HydrophobicContact CE1-CE1 4.44Å; F198-F233 AromaticContact CD1-CE2 3.54Å; F198-F233 HydrophobicContact CD1-CE2 3.54Å; F198-F233 AromaticContact CD1-CZ 3.49Å; F198-F233 HydrophobicContact CD1-CZ 3.49Å; F198-F233 VanDerWaalsContact CD1-CZ 3.49Å; F198-F233 AromaticContact CE1-CE2 3.83Å; F198-F233 HydrophobicContact CE1-CE2 3.83Å; F198-F233 AromaticContact CE1-CZ 3.48Å; F198-F233 HydrophobicContact CE1-CZ 3.48Å; F198-F233 VanDerWaalsContact CE1-CZ 3.48Å; F198-F233 HydrophobicContact CG-CE2 4.39Å; F198-F233 HydrophobicContact CG-CZ 4.16Å; F198-F233 HydrophobicContact CZ-CZ 4.17Å; F198-A274 HydrophobicContact CE1-CB 4.2Å; F198-A274 HydrophobicContact CE2-CB 4.34Å; F198-A274 HydrophobicContact CZ-CB 3.63Å; F198-C275 WeakPolarHBondContact CZ-O 3.41Å |
| 199 | A | 96.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -57.8 | -52 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | I195 R196 G197 S201 C202 F203 F233 I236 | I195-A199 WeakPolarHBondContact O-CB 3.46Å; I195-A199 PolarHBondContact O-N 3.3Å; R196-A199 PolarHBondContact O-N 3.36Å; G197-A199 PolarHBondContact O-N 3.06Å; A199-S201 PolarHBondContact O-N 3.18Å; A199-C202 PolarHBondContact O-N 3.24Å; A199-C202 VanDerWaalsContact O-N 3.14Å; A199-F203 HydrophobicContact CB-CD2 4.37Å; A199-F203 HydrophobicContact CB-CE2 4.13Å; A199-F203 WeakPolarHBondContact O-CD2 3.49Å; A199-F203 PolarHBondContact O-N 3.34Å; A199-F233 VanDerWaalsContact CA-CZ 3.41Å; A199-F233 HydrophobicContact CB-CD1 4.09Å; A199-F233 HydrophobicContact CB-CD2 3.56Å; A199-F233 HydrophobicContact CB-CE1 4.07Å; A199-F233 HydrophobicContact CB-CE2 3.53Å; A199-F233 HydrophobicContact CB-CG 3.85Å; A199-F233 HydrophobicContact CB-CZ 3.8Å; A199-I236 HydrophobicContact CB-CD1 3.67Å |
| 200 | K | 94.6 | Very high | 95.2 | Very high | 67 Ų | 67 | 44.3 Ų | 44.3 | 29% | 0.291 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -58.8 | -47.3 | -179.9 | -71.3 | -171.9 | 179.2 | -132.5 | 0 | 112 | R196 G197 C202 F203 E204 I236 E240 | R196-K200 WeakPolarHBondContact O-CG 3.44Å; R196-K200 PolarHBondContact O-N 3.26Å; G197-K200 PolarHBondContact O-N 2.87Å; K200-C202 VanDerWaalsContact C-N 3.31Å; K200-C202 PolarHBondContact O-N 3.19Å; K200-F203 PolarHBondContact O-N 3.05Å; K200-E204 WeakPolarHBondContact O-CG 3.49Å; K200-E204 PolarHBondContact O-N 2.82Å; K200-I236 HydrophobicContact CG-CD1 4.3Å; K200-I236 HydrophobicContact CG-CG2 4.3Å; K200-E240 WeakPolarHBondContact CE-OE1 3.24Å; K200-E240 IonicContact NZ-OE1 2.74Å; K200-E240 PolarHBondContact NZ-OE1 3.42Å; K200-E240 IonicContact NZ-OE2 3.08Å; K200-E240 PolarHBondContact NZ-OE2 3.47Å |
| 201 | S | 93.8 | Very high | 95.3 | Very high | 6 Ų | 6 | 45.4 Ų | 45.4 | 4% | 0.042 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -56.8 | -44.2 | 175.5 | -63.9 | 0 | 0 | 0 | 0 | 111.9 | T113 F115 G197 F198 A199 Y205 | T113-S201 VanDerWaalsContact OG1-CB 3.24Å; T113-S201 WeakPolarHBondContact OG1-CB 3.41Å; T113-S201 PolarHBondContact OG1-OG 3.2Å; F115-S201 WeakPolarHBondContact CZ-O 3.15Å; G197-S201 PolarHBondContact O-N 2.95Å; G197-S201 PolarHBondContact O-OG 2.94Å; F198-S201 PolarHBondContact O-N 3.45Å; A199-S201 PolarHBondContact O-N 3.18Å; S201-Y205 VanDerWaalsContact O-CB 3.3Å; S201-Y205 WeakPolarHBondContact O-CB 3.33Å; S201-Y205 PolarHBondContact O-N 2.76Å |
| 202 | C | 96.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -66.1 | -42.7 | 179.8 | -69.7 | 0 | 0 | 0 | 0 | 112.9 | F198 A199 K200 Y205 A206 L213 F233 A274 | F198-C202 WeakPolarHBondContact CE2-SG 3.3Å; F198-C202 PolarHBondContact O-N 3.28Å; F198-C202 PolarHBondContact O-SG 3.4Å; A199-C202 PolarHBondContact O-N 3.24Å; A199-C202 VanDerWaalsContact O-N 3.14Å; K200-C202 VanDerWaalsContact C-N 3.31Å; K200-C202 PolarHBondContact O-N 3.19Å; C202-Y205 PolarHBondContact O-N 2.87Å; C202-A206 WeakPolarHBondContact O-CB 3.47Å; C202-A206 PolarHBondContact O-N 2.83Å; C202-L213 HydrophobicContact CB-CD1 3.92Å; C202-L213 HydrophobicContact CB-CD2 3.93Å; C202-F233 HydrophobicContact CB-CE1 4.28Å; C202-A274 HydrophobicContact CB-CB 4.3Å |
| 203 | F | 96.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -65.6 | -45.2 | 177.9 | -73.1 | -64.3 | 0 | 0 | 0 | 112.1 | A199 K200 Y205 A206 L207 L213 F233 I236 Y237 Y241 F245 Y252 | A199-F203 HydrophobicContact CB-CD2 4.37Å; A199-F203 HydrophobicContact CB-CE2 4.13Å; A199-F203 WeakPolarHBondContact O-CD2 3.49Å; A199-F203 PolarHBondContact O-N 3.34Å; K200-F203 PolarHBondContact O-N 3.05Å; F203-Y205 VanDerWaalsContact C-N 3.34Å; F203-Y205 PolarHBondContact O-N 2.89Å; F203-A206 PolarHBondContact O-N 3.32Å; F203-L207 WeakPolarHBondContact O-CG 3.13Å; F203-L207 PolarHBondContact O-N 3.01Å; F203-L213 HydrophobicContact CD1-CD2 3.4Å; F203-L213 VanDerWaalsContact CD1-CD2 3.4Å; F203-L213 HydrophobicContact CE1-CD2 3.5Å; F203-L213 VanDerWaalsContact CE1-CD2 3.5Å; F203-L213 HydrophobicContact CG-CD2 3.94Å; F203-L213 HydrophobicContact CZ-CD2 4.09Å; F203-F233 AromaticContact CE2-CD1 3.99Å; F203-F233 HydrophobicContact CE2-CD1 3.99Å; F203-F233 HydrophobicContact CE2-CG 4.48Å; F203-F233 AromaticContact CZ-CD1 3.99Å; F203-F233 HydrophobicContact CZ-CD1 3.99Å; F203-F233 WeakPolarHBondContact CZ-O 3.28Å; F203-I236 HydrophobicContact CD2-CG2 3.74Å; F203-I236 HydrophobicContact CE2-CB 4.19Å; F203-I236 HydrophobicContact CE2-CG2 3.77Å; F203-Y237 HydrophobicContact CD1-CD2 4.3Å; F203-Y237 AromaticContact CE1-CD2 3.67Å; F203-Y237 HydrophobicContact CE1-CD2 3.67Å; F203-Y237 HydrophobicContact CE1-CG 4.19Å; F203-Y237 HydrophobicContact CZ-CD2 4.31Å; F203-Y237 HydrophobicContact CZ-CG 4.41Å; F203-Y241 HydrophobicContact CB-CD1 3.6Å; F203-Y241 HydrophobicContact CB-CD2 3.82Å; F203-Y241 HydrophobicContact CB-CE1 3.49Å; F203-Y241 VanDerWaalsContact CB-CE1 3.49Å; F203-Y241 HydrophobicContact CB-CE2 3.72Å; F203-Y241 HydrophobicContact CB-CG 3.76Å; F203-Y241 HydrophobicContact CD1-CD2 4.35Å; F203-Y241 HydrophobicContact CD1-CG 4.17Å; F203-Y241 AromaticContact CD2-CD2 3.82Å; F203-Y241 HydrophobicContact CD2-CD2 3.82Å; F203-Y241 AromaticContact CD2-CE2 3.92Å; F203-Y241 HydrophobicContact CD2-CE2 3.92Å; F203-Y241 HydrophobicContact CD2-CG 4.41Å; F203-Y241 HydrophobicContact CG-CD1 4.24Å; F203-Y241 AromaticContact CG-CD2 3.76Å; F203-Y241 HydrophobicContact CG-CD2 3.76Å; F203-Y241 HydrophobicContact CG-CE1 4.46Å; F203-Y241 HydrophobicContact CG-CE2 4.01Å; F203-Y241 AromaticContact CG-CG 3.89Å; F203-Y241 HydrophobicContact CG-CG 3.89Å; F203-F245 HydrophobicContact CB-CE2 4.44Å; F203-F245 HydrophobicContact CD1-CE1 4.41Å; F203-F245 AromaticContact CD1-CE2 3.96Å; F203-F245 HydrophobicContact CD1-CE2 3.96Å; F203-F245 AromaticContact CD1-CZ 3.67Å; F203-F245 HydrophobicContact CD1-CZ 3.67Å; F203-F245 HydrophobicContact CE1-CZ 4.46Å; F203-Y252 HydrophobicContact CE1-CD1 4.21Å; F203-Y252 AromaticContact CE1-CD2 3.72Å; F203-Y252 HydrophobicContact CE1-CD2 3.72Å; F203-Y252 HydrophobicContact CE1-CE2 4.39Å; F203-Y252 AromaticContact CE1-CG 3.63Å; F203-Y252 HydrophobicContact CE1-CG 3.63Å; F203-Y252 HydrophobicContact CZ-CD1 4.22Å; F203-Y252 AromaticContact CZ-CD2 3.97Å; F203-Y252 HydrophobicContact CZ-CD2 3.97Å; F203-Y252 HydrophobicContact CZ-CE1 4.42Å; F203-Y252 HydrophobicContact CZ-CE2 4.19Å; F203-Y252 AromaticContact CZ-CG 4Å; F203-Y252 HydrophobicContact CZ-CG 4Å |
| 204 | E | 92.7 | Very high | 95.6 | Very high | 66 Ų | 66 | 33.8 Ų | 33.8 | 31% | 0.308 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -62.7 | -41.4 | 175.9 | -68.6 | -56.7 | 152.2 | 0 | 0 | 111.7 | K200 A206 L207 I208 Y241 R244 | K200-E204 WeakPolarHBondContact O-CG 3.49Å; K200-E204 PolarHBondContact O-N 2.82Å; E204-A206 PolarHBondContact O-N 3.31Å; E204-L207 PolarHBondContact O-N 2.61Å; E204-I208 WeakPolarHBondContact O-CG1 3.35Å; E204-I208 PolarHBondContact O-N 3.27Å; E204-Y241 HydrophobicContact CG-CE1 4.37Å; E204-Y241 WeakPolarHBondContact OE1-CE1 3.42Å; E204-Y241 VanDerWaalsContact OE1-CZ 3.31Å; E204-Y241 PolarHBondContact OE1-OH 2.71Å; E204-R244 IonicContact OE1-CZ 2.85Å; E204-R244 IonicContact OE1-NH1 2.76Å; E204-R244 PolarHBondContact OE1-NH1 2.98Å; E204-R244 IonicContact OE1-NH2 2.55Å; E204-R244 IonicContact OE2-CZ 3.75Å; E204-R244 IonicContact OE2-NH1 2.77Å; E204-R244 PolarHBondContact OE2-NH1 3.28Å; E204-R244 IonicContact OE2-NH2 3.77Å; E204-R244 PolarHBondContact OE2-NH2 3.27Å |
| 205 | Y | 92.6 | Very high | 95.8 | Very high | 38 Ų | 38 | 32.6 Ų | 32.6 | 15% | 0.149 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62.7 | -43.4 | 177.2 | -156.9 | -77.7 | 0 | 0 | 0 | 111.7 | F115 V136 S201 C202 F203 L207 I208 K209 V272 | F115-Y205 HydrophobicContact CB-CD2 4.35Å; F115-Y205 HydrophobicContact CB-CE2 3.87Å; F115-Y205 HydrophobicContact CD1-CD1 4.1Å; F115-Y205 AromaticContact CD1-CD2 3.83Å; F115-Y205 HydrophobicContact CD1-CD2 3.83Å; F115-Y205 HydrophobicContact CD1-CE1 4.4Å; F115-Y205 HydrophobicContact CD1-CE2 4.14Å; F115-Y205 AromaticContact CD1-CG 3.81Å; F115-Y205 HydrophobicContact CD1-CG 3.81Å; F115-Y205 AromaticContact CD2-CD2 3.65Å; F115-Y205 HydrophobicContact CD2-CD2 3.65Å; F115-Y205 AromaticContact CD2-CE2 3.91Å; F115-Y205 HydrophobicContact CD2-CE2 3.91Å; F115-Y205 HydrophobicContact CD2-CG 4.38Å; F115-Y205 HydrophobicContact CE1-CD1 4.29Å; F115-Y205 AromaticContact CE1-CD2 3.99Å; F115-Y205 HydrophobicContact CE1-CD2 3.99Å; F115-Y205 AromaticContact CE1-CG 3.73Å; F115-Y205 HydrophobicContact CE1-CG 3.73Å; F115-Y205 AromaticContact CE2-CD2 3.8Å; F115-Y205 HydrophobicContact CE2-CD2 3.8Å; F115-Y205 HydrophobicContact CE2-CG 4.3Å; F115-Y205 AromaticContact CG-CD2 3.65Å; F115-Y205 HydrophobicContact CG-CD2 3.65Å; F115-Y205 AromaticContact CG-CE2 3.69Å; F115-Y205 HydrophobicContact CG-CE2 3.69Å; F115-Y205 HydrophobicContact CG-CG 4.13Å; F115-Y205 AromaticContact CZ-CD2 3.97Å; F115-Y205 HydrophobicContact CZ-CD2 3.97Å; F115-Y205 AromaticContact CZ-CG 3.99Å; F115-Y205 HydrophobicContact CZ-CG 3.99Å; V136-Y205 HydrophobicContact CB-CE1 4.48Å; V136-Y205 HydrophobicContact CG1-CD1 4.15Å; V136-Y205 HydrophobicContact CG1-CE1 3.73Å; V136-Y205 HydrophobicContact CG2-CE1 4.15Å; S201-Y205 VanDerWaalsContact O-CB 3.3Å; S201-Y205 WeakPolarHBondContact O-CB 3.33Å; S201-Y205 PolarHBondContact O-N 2.76Å; C202-Y205 PolarHBondContact O-N 2.87Å; F203-Y205 VanDerWaalsContact C-N 3.34Å; F203-Y205 PolarHBondContact O-N 2.89Å; Y205-L207 VanDerWaalsContact C-N 3.31Å; Y205-L207 PolarHBondContact O-N 2.85Å; Y205-I208 PolarHBondContact O-N 3.18Å; Y205-K209 HydrophobicContact CD1-CG 3.75Å; Y205-K209 HydrophobicContact CE1-CD 3.9Å; Y205-K209 HydrophobicContact CE1-CG 3.6Å; Y205-K209 WeakPolarHBondContact O-CG 3.29Å; Y205-K209 PolarHBondContact O-N 3.18Å; Y205-V272 HydrophobicContact CD1-CG2 4.12Å |
| 206 | A | 96.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.1 | -38.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | C202 F203 E204 K209 K210 W211 L213 F245 V272 | C202-A206 WeakPolarHBondContact O-CB 3.47Å; C202-A206 PolarHBondContact O-N 2.83Å; F203-A206 PolarHBondContact O-N 3.32Å; E204-A206 PolarHBondContact O-N 3.31Å; A206-K209 PolarHBondContact O-N 2.91Å; A206-K210 WeakPolarHBondContact O-CA 3.37Å; A206-K210 PolarHBondContact O-N 3.2Å; A206-W211 PolarHBondContact O-N 2.79Å; A206-L213 HydrophobicContact CB-CB 3.95Å; A206-F245 HydrophobicContact CB-CE1 4.41Å; A206-F245 HydrophobicContact CB-CZ 3.87Å; A206-V272 HydrophobicContact CB-CB 4.36Å; A206-V272 HydrophobicContact CB-CG2 4.06Å |
| 207 | L | 94.9 | Very high | 96 | Very high | 16 Ų | 16 | 29 Ų | 29 | 8% | 0.084 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -66.2 | -41.9 | 174.3 | -72.4 | 175.2 | 0 | 0 | 0 | 112.9 | F203 E204 Y205 K209 K210 Y241 R244 F245 L248 I250 | F203-L207 WeakPolarHBondContact O-CG 3.13Å; F203-L207 PolarHBondContact O-N 3.01Å; E204-L207 PolarHBondContact O-N 2.61Å; Y205-L207 VanDerWaalsContact C-N 3.31Å; Y205-L207 PolarHBondContact O-N 2.85Å; L207-K209 VanDerWaalsContact C-N 3.31Å; L207-K209 PolarHBondContact O-N 2.84Å; L207-K210 PolarHBondContact O-N 3.49Å; L207-K210 VanDerWaalsContact O-N 3.14Å; L207-Y241 HydrophobicContact CD1-CD1 3.77Å; L207-Y241 HydrophobicContact CD1-CE1 3.89Å; L207-R244 HydrophobicContact CD1-CB 4.14Å; L207-R244 VanDerWaalsContact CD1-NE 3.33Å; L207-R244 HydrophobicContact CD2-CB 3.9Å; L207-F245 HydrophobicContact CD1-CE2 4.22Å; L207-F245 HydrophobicContact CD2-CD2 3.6Å; L207-F245 HydrophobicContact CD2-CE2 3.64Å; L207-F245 HydrophobicContact CG-CD2 4.09Å; L207-F245 HydrophobicContact CG-CE2 3.62Å; L207-F245 HydrophobicContact CG-CZ 4.45Å; L207-L248 HydrophobicContact CD2-CD1 3.63Å; L207-I250 HydrophobicContact CD2-CD1 4.21Å |
| 208 | I | 91.1 | Very high | 96.1 | Very high | 116 Ų | 116 | 31.2 Ų | 31.2 | 60% | 0.595 | 14% | 0.142 | S | C | * | . | H | α-helix | trans | -59.8 | -45.2 | 175.8 | -69.1 | 165 | 0 | 0 | 0 | 110.2 | E204 Y205 K210 | E204-I208 WeakPolarHBondContact O-CG1 3.35Å; E204-I208 PolarHBondContact O-N 3.27Å; Y205-I208 PolarHBondContact O-N 3.18Å; I208-K210 VanDerWaalsContact C-N 3.26Å; I208-K210 PolarHBondContact O-N 3.15Å |
| 209 | K | 93.8 | Very high | 96.1 | Very high | 54 Ų | 54 | 32.4 Ų | 32.4 | 24% | 0.235 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -74.7 | -16.6 | 178.1 | -60.5 | -64.6 | -69.5 | -160 | 0 | 113.3 | E117 Y205 A206 L207 W211 | E117-K209 IonicContact OE1-NZ 3.72Å; E117-K209 PolarHBondContact OE1-NZ 2.92Å; E117-K209 IonicContact OE2-NZ 2.87Å; E117-K209 PolarHBondContact OE2-NZ 2.85Å; Y205-K209 HydrophobicContact CD1-CG 3.75Å; Y205-K209 HydrophobicContact CE1-CD 3.9Å; Y205-K209 HydrophobicContact CE1-CG 3.6Å; Y205-K209 WeakPolarHBondContact O-CG 3.29Å; Y205-K209 PolarHBondContact O-N 3.18Å; A206-K209 PolarHBondContact O-N 2.91Å; L207-K209 VanDerWaalsContact C-N 3.31Å; L207-K209 PolarHBondContact O-N 2.84Å; K209-W211 HydrophobicContact CB-CB 4.09Å; K209-W211 HydrophobicContact CB-CD2 3.8Å; K209-W211 HydrophobicContact CB-CE3 3.98Å; K209-W211 HydrophobicContact CB-CG 3.88Å; K209-W211 VanDerWaalsContact CE-CH2 3.47Å; K209-W211 VanDerWaalsContact CE-CZ3 3.47Å; K209-W211 HydrophobicContact CG-CE3 4.33Å; K209-W211 PolarHBondContact O-N 3.16Å; K209-W211 PolarHBondContact O-NE1 3.35Å |
| 210 | K | 97.1 | Very high | 96.1 | Very high | 139 Ų | 139 | 36 Ų | 36 | 60% | 0.604 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.4 | 43.6 | -168.7 | -54 | 179.1 | -179.1 | 178.4 | 0 | 111.5 | A206 L207 I208 L248 I250 | A206-K210 WeakPolarHBondContact O-CA 3.37Å; A206-K210 PolarHBondContact O-N 3.2Å; L207-K210 PolarHBondContact O-N 3.49Å; L207-K210 VanDerWaalsContact O-N 3.14Å; I208-K210 VanDerWaalsContact C-N 3.26Å; I208-K210 PolarHBondContact O-N 3.15Å; K210-L248 HydrophobicContact CD-CD2 4.36Å; K210-L248 HydrophobicContact CG-CD1 4.35Å; K210-L248 HydrophobicContact CG-CD2 4.44Å; K210-I250 WeakPolarHBondContact O-CG2 3.45Å |
| 211 | W | 98.1 | Very high | 96.2 | Very high | 55 Ų | 55 | 38.7 Ų | 38.7 | 21% | 0.208 | 19% | 0.186 | C | C | . | . | trans | -121.1 | 151.8 | -177.3 | -71.3 | -9.1 | 0 | 0 | 0 | 111.2 | P134 V136 A206 K209 I250 | P134-W211 HydrophobicContact CB-CH2 3.89Å; P134-W211 HydrophobicContact CB-CZ3 4.25Å; P134-W211 HydrophobicContact CG-CH2 3.94Å; V136-W211 HydrophobicContact CG2-CE3 4.37Å; V136-W211 HydrophobicContact CG2-CZ3 3.82Å; A206-W211 PolarHBondContact O-N 2.79Å; K209-W211 HydrophobicContact CB-CB 4.09Å; K209-W211 HydrophobicContact CB-CD2 3.8Å; K209-W211 HydrophobicContact CB-CE3 3.98Å; K209-W211 HydrophobicContact CB-CG 3.88Å; K209-W211 VanDerWaalsContact CE-CH2 3.47Å; K209-W211 VanDerWaalsContact CE-CZ3 3.47Å; K209-W211 HydrophobicContact CG-CE3 4.33Å; K209-W211 PolarHBondContact O-N 3.16Å; K209-W211 PolarHBondContact O-NE1 3.35Å; W211-I250 WeakPolarHBondContact O-CD1 3.39Å | ||
| 212 | P | 98.5 | Very high | 96.3 | Very high | 16 Ų | 16 | 42.1 Ų | 42.1 | 10% | 0.104 | 20% | 0.204 | C | C | . | . | trans | -62.6 | 151.4 | 173 | 27.6 | -34.5 | 0 | 0 | 0 | 111.5 | Y214 W251 F271 V272 | P212-Y214 HydrophobicContact CB-CE2 4.18Å; P212-Y214 HydrophobicContact CG-CE2 4.23Å; P212-W251 VanDerWaalsContact CA-O 3.28Å; P212-W251 WeakPolarHBondContact CA-O 3.46Å; P212-W251 HydrophobicContact CB-CD2 3.73Å; P212-W251 HydrophobicContact CB-CE3 4.01Å; P212-W251 HydrophobicContact CB-CG 4.26Å; P212-W251 HydrophobicContact CB-CH2 4.13Å; P212-W251 HydrophobicContact CB-CZ2 3.88Å; P212-W251 HydrophobicContact CB-CZ3 4.18Å; P212-W251 HydrophobicContact CG-CH2 3.95Å; P212-W251 HydrophobicContact CG-CZ2 3.96Å; P212-W251 HydrophobicContact CG-CZ3 4.28Å; P212-F271 HydrophobicContact CG-CB 3.96Å; P212-F271 WeakPolarHBondContact O-CA 3.49Å; P212-F271 WeakPolarHBondContact O-CB 3.37Å; P212-V272 PolarHBondContact O-N 3.32Å | ||
| 213 | L | 98.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 131.2 | 177.7 | 176.7 | 65.7 | 0 | 0 | 0 | 110.5 | C202 F203 A206 F233 F245 W251 Y252 E253 V272 A274 | C202-L213 HydrophobicContact CB-CD1 3.92Å; C202-L213 HydrophobicContact CB-CD2 3.93Å; F203-L213 HydrophobicContact CD1-CD2 3.4Å; F203-L213 VanDerWaalsContact CD1-CD2 3.4Å; F203-L213 HydrophobicContact CE1-CD2 3.5Å; F203-L213 VanDerWaalsContact CE1-CD2 3.5Å; F203-L213 HydrophobicContact CG-CD2 3.94Å; F203-L213 HydrophobicContact CZ-CD2 4.09Å; A206-L213 HydrophobicContact CB-CB 3.95Å; L213-F233 HydrophobicContact CD2-CE1 4.49Å; L213-F245 HydrophobicContact CB-CE1 4.18Å; L213-F245 HydrophobicContact CB-CZ 4.44Å; L213-W251 PolarHBondContact N-O 3.25Å; L213-Y252 HydrophobicContact CB-CD2 4.33Å; L213-Y252 HydrophobicContact CD2-CD2 4.02Å; L213-Y252 HydrophobicContact CG-CD2 4.07Å; L213-Y252 VanDerWaalsContact O-CA 3.31Å; L213-Y252 WeakPolarHBondContact O-CA 3.37Å; L213-E253 PolarHBondContact O-N 2.97Å; L213-V272 WeakPolarHBondContact CA-O 3.27Å; L213-V272 HydrophobicContact CD1-CB 3.79Å; L213-V272 HydrophobicContact CD1-CG1 3.63Å; L213-A274 HydrophobicContact CD1-CB 4.15Å |
| 214 | Y | 98.8 | Very high | 96.3 | Very high | 21 Ų | 21 | 56.6 Ų | 56.6 | 8% | 0.082 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 125.5 | 170.2 | -62.7 | -87.9 | 0 | 0 | 0 | 110.4 | P212 W251 E253 R255 M260 F271 V272 W273 A274 | P212-Y214 HydrophobicContact CB-CE2 4.18Å; P212-Y214 HydrophobicContact CG-CE2 4.23Å; Y214-W251 AromaticContact CE1-NE1 3.98Å; Y214-W251 AromaticContact CZ-NE1 3.68Å; Y214-W251 VanDerWaalsContact OH-CZ2 3.23Å; Y214-W251 WeakPolarHBondContact OH-CZ2 3.29Å; Y214-W251 PolarHBondContact OH-NE1 2.89Å; Y214-W251 VanDerWaalsContact OH-NE1 3.16Å; Y214-E253 VanDerWaalsContact CA-O 3.27Å; Y214-E253 WeakPolarHBondContact CA-O 3.39Å; Y214-E253 HydrophobicContact CD1-CB 3.84Å; Y214-E253 HydrophobicContact CD1-CG 4.46Å; Y214-E253 HydrophobicContact CE1-CB 3.88Å; Y214-E253 HydrophobicContact CE1-CG 4.42Å; Y214-E253 WeakPolarHBondContact CE1-OE2 3.38Å; Y214-R255 HydrophobicContact CD1-CG 4.32Å; Y214-M260 HydrophobicContact CD1-CE 4.35Å; Y214-M260 HydrophobicContact CD1-SD 4.13Å; Y214-M260 HydrophobicContact CD2-CE 3.83Å; Y214-M260 HydrophobicContact CG-CE 3.7Å; Y214-M260 HydrophobicContact CG-SD 4.02Å; Y214-F271 HydrophobicContact CD2-CB 3.92Å; Y214-F271 AromaticContact CD2-CD2 3.9Å; Y214-F271 HydrophobicContact CD2-CD2 3.9Å; Y214-F271 HydrophobicContact CD2-CG 4.03Å; Y214-F271 HydrophobicContact CE2-CB 3.8Å; Y214-F271 HydrophobicContact CE2-CD2 4.35Å; Y214-F271 HydrophobicContact CE2-CG 4.03Å; Y214-V272 PolarHBondContact N-O 3.37Å; Y214-W273 CarbonylContact O-C 3.4Å; Y214-W273 WeakPolarHBondContact O-CA 3.48Å; Y214-A274 PolarHBondContact O-N 2.84Å |
| 215 | L | 98.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 132.8 | 160.2 | 171.1 | 68.7 | 0 | 0 | 0 | 108 | F198 T217 F229 F233 Y252 E253 H254 R255 A274 | F198-L215 HydrophobicContact CE1-CD1 4.31Å; L215-T217 HydrophobicContact CD1-CG2 4.08Å; L215-T217 HydrophobicContact CD2-CG2 4.24Å; L215-T217 HydrophobicContact CG-CG2 4.08Å; L215-F229 HydrophobicContact CD2-CB 4.37Å; L215-F233 HydrophobicContact CB-CD1 3.94Å; L215-F233 HydrophobicContact CB-CE1 4.13Å; L215-F233 HydrophobicContact CB-CG 4.4Å; L215-F233 HydrophobicContact CD1-CD2 4.44Å; L215-F233 HydrophobicContact CD1-CE1 4.18Å; L215-F233 HydrophobicContact CD1-CE2 4.11Å; L215-F233 HydrophobicContact CD1-CZ 3.97Å; L215-F233 HydrophobicContact CD2-CB 3.84Å; L215-F233 HydrophobicContact CD2-CD1 4.02Å; L215-F233 HydrophobicContact CD2-CD2 3.74Å; L215-F233 HydrophobicContact CD2-CE1 4.49Å; L215-F233 HydrophobicContact CD2-CE2 4.25Å; L215-F233 HydrophobicContact CD2-CG 3.61Å; L215-F233 HydrophobicContact CG-CD1 4.35Å; L215-F233 HydrophobicContact CG-CE1 4.48Å; L215-F233 HydrophobicContact CG-CG 4.41Å; L215-Y252 HydrophobicContact CB-CE2 3.9Å; L215-E253 PolarHBondContact N-O 2.97Å; L215-H254 CarbonylContact O-C 3.55Å; L215-H254 WeakPolarHBondContact O-CA 3.42Å; L215-H254 PolarHBondContact O-CD2 3.47Å; L215-R255 PolarHBondContact O-N 2.83Å; L215-A274 HydrophobicContact CB-CB 4.47Å; L215-A274 HydrophobicContact CD1-CB 4.11Å |
| 216 | S | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 131.7 | 171.6 | 68.1 | 0 | 0 | 0 | 0 | 113.9 | R255 I257 W273 A274 | S216-R255 WeakPolarHBondContact CA-O 3.38Å; S216-I257 WeakPolarHBondContact OG-CD1 3.46Å; S216-W273 PolarHBondContact OG-NE1 2.83Å; S216-A274 PolarHBondContact N-O 3.42Å; S216-A274 VanDerWaalsContact N-O 3.08Å |
| 217 | T | 97.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | -177.8 | 177 | 71.9 | 0 | 0 | 0 | 0 | 110.8 | L215 D226 F229 H254 R255 L256 I257 K276 | L215-T217 HydrophobicContact CD1-CG2 4.08Å; L215-T217 HydrophobicContact CD2-CG2 4.24Å; L215-T217 HydrophobicContact CG-CG2 4.08Å; T217-D226 WeakPolarHBondContact CB-OD2 2.97Å; T217-D226 HydrophobicContact CG2-CB 4.49Å; T217-F229 HydrophobicContact CG2-CB 4.06Å; T217-H254 PolarHBondContact OG1-NE2 3.33Å; T217-R255 PolarHBondContact N-O 2.96Å; T217-L256 CarbonylContact O-C 3.55Å; T217-L256 VanDerWaalsContact O-CA 3.29Å; T217-L256 WeakPolarHBondContact O-CA 3.39Å; T217-I257 PolarHBondContact O-N 3.12Å; T217-K276 HydrophobicContact CG2-CG 4.47Å |
| 218 | K | 96.8 | Very high | 97.1 | Very high | 59 Ų | 59 | 58.4 Ų | 58.4 | 26% | 0.257 | 28% | 0.279 | S | S | . | . | trans | -116.2 | 47.6 | 172.1 | -157.4 | 79.5 | -175.3 | -174 | 0 | 111.2 | T220 I221 L222 D226 I257 D258 | K218-T220 PolarHBondContact O-N 3.48Å; K218-I221 HydrophobicContact CG-CB 3.99Å; K218-I221 HydrophobicContact CG-CG1 3.75Å; K218-I221 PolarHBondContact O-N 2.63Å; K218-L222 PolarHBondContact O-N 2.88Å; K218-D226 WeakPolarHBondContact CA-OD2 3.45Å; K218-D226 PolarHBondContact N-OD2 3.44Å; K218-I257 HydrophobicContact CB-CG2 4.26Å; K218-I257 HydrophobicContact CD-CG2 3.87Å; K218-D258 IonicContact NZ-OD1 3.55Å; K218-D258 PolarHBondContact NZ-OD1 3.46Å; K218-D258 IonicContact NZ-OD2 2.8Å; K218-D258 PolarHBondContact NZ-OD2 3.3Å | ||
| 219 | N | 96.3 | Very high | 97.4 | Very high | 28 Ų | 28 | 52.9 Ų | 52.9 | 15% | 0.15 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -18.5 | -176.1 | 74.5 | -63.1 | 0 | 0 | 0 | 114.9 | I221 K223 D226 H254 L256 | N219-I221 VanDerWaalsContact C-N 3.26Å; N219-I221 PolarHBondContact O-N 2.99Å; N219-K223 VanDerWaalsContact O-CA 3.28Å; N219-K223 WeakPolarHBondContact O-CA 3.31Å; N219-K223 PolarHBondContact O-N 3.26Å; N219-D226 HydrophobicContact CB-CB 3.97Å; N219-H254 PolarHBondContact OD1-CE1 3.22Å; N219-L256 WeakPolarHBondContact OD1-CD2 3.35Å |
| 220 | T | 95.4 | Very high | 97.7 | Very high | 74 Ų | 74 | 53.8 Ų | 53.8 | 45% | 0.454 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -26.9 | 172.6 | 50.7 | 0 | 0 | 0 | 0 | 112.7 | K218 L256 | K218-T220 PolarHBondContact O-N 3.48Å; T220-L256 HydrophobicContact CG2-CD1 4.27Å; T220-L256 HydrophobicContact CG2-CD2 4Å |
| 221 | I | 97 | Very high | 97.7 | Very high | 125 Ų | 125 | 51.6 Ų | 51.6 | 64% | 0.641 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.1 | -53.6 | 175.8 | -55.6 | -57.6 | 0 | 0 | 0 | 109.9 | K218 N219 K223 | K218-I221 HydrophobicContact CG-CB 3.99Å; K218-I221 HydrophobicContact CG-CG1 3.75Å; K218-I221 PolarHBondContact O-N 2.63Å; N219-I221 VanDerWaalsContact C-N 3.26Å; N219-I221 PolarHBondContact O-N 2.99Å; I221-K223 VanDerWaalsContact C-N 3.35Å; I221-K223 PolarHBondContact O-N 3.29Å |
| 222 | L | 95.5 | Very high | 97.8 | Very high | 77 Ų | 77 | 49 Ų | 49 | 40% | 0.403 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -92.1 | 66.2 | 179.4 | -67.1 | 176.8 | 0 | 0 | 0 | 110.7 | K218 N224 Y225 D226 G227 | K218-L222 PolarHBondContact O-N 2.88Å; L222-N224 VanDerWaalsContact C-N 3.32Å; L222-N224 PolarHBondContact O-N 2.92Å; L222-Y225 PolarHBondContact O-N 2.77Å; L222-D226 HydrophobicContact CB-CB 3.81Å; L222-D226 WeakPolarHBondContact CD1-OD1 3.43Å; L222-D226 WeakPolarHBondContact O-CB 3.48Å; L222-D226 PolarHBondContact O-N 3.49Å; L222-G227 PolarHBondContact O-N 3.14Å |
| 223 | K | 96.9 | Very high | 97.8 | Very high | 157 Ų | 157 | 48.2 Ų | 48.2 | 68% | 0.683 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | -42.8 | -171.5 | -64.7 | -179.3 | -177.3 | 177 | 0 | 114.1 | N219 I221 G227 | N219-K223 VanDerWaalsContact O-CA 3.28Å; N219-K223 WeakPolarHBondContact O-CA 3.31Å; N219-K223 PolarHBondContact O-N 3.26Å; I221-K223 VanDerWaalsContact C-N 3.35Å; I221-K223 PolarHBondContact O-N 3.29Å; K223-G227 VanDerWaalsContact O-CA 3.23Å; K223-G227 WeakPolarHBondContact O-CA 3.28Å; K223-G227 PolarHBondContact O-N 2.84Å |
| 224 | N | 97.4 | Very high | 97.8 | Very high | 148 Ų | 148 | 51.4 Ų | 51.4 | 79% | 0.791 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -49.6 | -180 | -64 | -29.6 | 0 | 0 | 0 | 111.5 | L222 R228 | L222-N224 VanDerWaalsContact C-N 3.32Å; L222-N224 PolarHBondContact O-N 2.92Å; N224-R228 VanDerWaalsContact O-CB 3.31Å; N224-R228 WeakPolarHBondContact O-CB 3.08Å; N224-R228 PolarHBondContact O-N 3.08Å |
| 225 | Y | 97.6 | Very high | 97.8 | Very high | 53 Ų | 53 | 54.8 Ų | 54.8 | 21% | 0.208 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -68.3 | -58.7 | -173.8 | -163.4 | -78.7 | 0 | 0 | 0 | 111.8 | D144 M188 Y189 N190 L222 R228 F229 | D144-Y225 WeakPolarHBondContact OD1-CE1 3.1Å; D144-Y225 PolarHBondContact OD1-OH 2.99Å; M188-Y225 HydrophobicContact CG-CE2 4.28Å; Y189-Y225 PolarHBondContact O-OH 3.43Å; N190-Y225 HydrophobicContact CB-CE1 4.39Å; N190-Y225 HydrophobicContact CB-CE2 4.35Å; N190-Y225 WeakPolarHBondContact CB-OH 3.26Å; N190-Y225 PolarHBondContact ND2-OH 2.7Å; L222-Y225 PolarHBondContact O-N 2.77Å; Y225-R228 PolarHBondContact O-N 2.74Å; Y225-F229 HydrophobicContact CD1-CE2 4.26Å; Y225-F229 AromaticContact CE1-CE2 3.91Å; Y225-F229 HydrophobicContact CE1-CE2 3.91Å; Y225-F229 WeakPolarHBondContact O-CD2 3.25Å |
| 226 | D | 98.1 | Very high | 97.7 | Very high | 1 Ų | 1 | 54.8 Ų | 54.8 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -79.1 | -24.6 | -179.5 | -76.6 | 20.7 | 0 | 0 | 0 | 112 | T217 K218 N219 L222 R228 F229 K230 K276 | T217-D226 WeakPolarHBondContact CB-OD2 2.97Å; T217-D226 HydrophobicContact CG2-CB 4.49Å; K218-D226 WeakPolarHBondContact CA-OD2 3.45Å; K218-D226 PolarHBondContact N-OD2 3.44Å; N219-D226 HydrophobicContact CB-CB 3.97Å; L222-D226 HydrophobicContact CB-CB 3.81Å; L222-D226 WeakPolarHBondContact CD1-OD1 3.43Å; L222-D226 WeakPolarHBondContact O-CB 3.48Å; L222-D226 PolarHBondContact O-N 3.49Å; D226-R228 VanDerWaalsContact C-N 3.29Å; D226-F229 PolarHBondContact O-N 2.65Å; D226-K230 PolarHBondContact O-N 3.26Å; D226-K230 VanDerWaalsContact O-N 3.16Å; D226-K276 WeakPolarHBondContact OD1-CE 3.49Å; D226-K276 IonicContact OD1-NZ 3.39Å; D226-K276 PolarHBondContact OD1-NZ 2.79Å; D226-K276 IonicContact OD2-NZ 3.52Å; D226-K276 PolarHBondContact OD2-NZ 2.82Å |
| 227 | G | 98.3 | Very high | 97.7 | Very high | 7 Ų | 7 | 56 Ų | 56 | 7% | 0.072 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61 | -39.9 | 168 | 0 | 0 | 0 | 0 | 0 | 111.5 | L222 K223 F229 K230 D231 | L222-G227 PolarHBondContact O-N 3.14Å; K223-G227 VanDerWaalsContact O-CA 3.23Å; K223-G227 WeakPolarHBondContact O-CA 3.28Å; K223-G227 PolarHBondContact O-N 2.84Å; G227-F229 VanDerWaalsContact C-N 3.34Å; G227-F229 PolarHBondContact O-N 3.44Å; G227-K230 WeakPolarHBondContact O-CB 3.35Å; G227-K230 PolarHBondContact O-N 3.46Å; G227-K230 VanDerWaalsContact O-N 3.14Å; G227-D231 WeakPolarHBondContact O-CB 3.26Å; G227-D231 PolarHBondContact O-N 3.21Å |
| 228 | R | 98.4 | Very high | 97.8 | Very high | 96 Ų | 96 | 60.7 Ų | 60.7 | 36% | 0.362 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62.3 | -39.2 | 177.8 | -166.3 | 58.3 | 172.4 | 170 | 0.5 | 113 | D192 I195 N224 Y225 D226 I232 | D192-R228 WeakPolarHBondContact OD1-CG 3.41Å; D192-R228 IonicContact OD1-CZ 3.45Å; D192-R228 IonicContact OD1-NE 2.98Å; D192-R228 PolarHBondContact OD1-NE 2.89Å; D192-R228 IonicContact OD1-NH2 2.68Å; D192-R228 IonicContact OD2-CZ 3.19Å; D192-R228 IonicContact OD2-NE 3.93Å; D192-R228 PolarHBondContact OD2-NE 3.42Å; D192-R228 IonicContact OD2-NH2 3.86Å; D192-R228 PolarHBondContact OD2-NH2 3.04Å; I195-R228 HydrophobicContact CD1-CG 4.35Å; N224-R228 VanDerWaalsContact O-CB 3.31Å; N224-R228 WeakPolarHBondContact O-CB 3.08Å; N224-R228 PolarHBondContact O-N 3.08Å; Y225-R228 PolarHBondContact O-N 2.74Å; D226-R228 VanDerWaalsContact C-N 3.29Å; R228-I232 HydrophobicContact CG-CD1 3.88Å; R228-I232 WeakPolarHBondContact O-CB 3.33Å; R228-I232 VanDerWaalsContact O-CG1 3.29Å; R228-I232 WeakPolarHBondContact O-CG1 3.34Å; R228-I232 PolarHBondContact O-N 2.7Å |
| 229 | F | 98.6 | Very high | 97.8 | Very high | 1 Ų | 1 | 61.8 Ų | 61.8 | 0% | 0.004 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59 | -51.3 | 171.2 | -83.9 | -101.3 | 0 | 0 | 0 | 111.8 | H140 N190 I195 F198 L215 T217 Y225 D226 G227 D231 I232 F233 K276 | H140-F229 AromaticContact CE1-CE1 3.75Å; H140-F229 AromaticContact CE1-CZ 3.63Å; H140-F229 AromaticContact ND1-CE1 3.29Å; H140-F229 VanDerWaalsContact ND1-CE1 3.29Å; H140-F229 WeakPolarHBondContact ND1-CE1 3.29Å; H140-F229 AromaticContact ND1-CZ 3.33Å; H140-F229 VanDerWaalsContact ND1-CZ 3.33Å; H140-F229 WeakPolarHBondContact ND1-CZ 3.4Å; N190-F229 HydrophobicContact CB-CE2 4.29Å; I195-F229 HydrophobicContact CD1-CD1 4.48Å; I195-F229 HydrophobicContact CD1-CD2 3.7Å; I195-F229 HydrophobicContact CD1-CE1 4.41Å; I195-F229 HydrophobicContact CD1-CE2 3.6Å; I195-F229 HydrophobicContact CD1-CG 4.16Å; I195-F229 HydrophobicContact CD1-CZ 3.99Å; I195-F229 HydrophobicContact CG1-CD1 4.13Å; I195-F229 HydrophobicContact CG1-CD2 4.17Å; I195-F229 HydrophobicContact CG1-CE1 3.82Å; I195-F229 HydrophobicContact CG1-CE2 3.86Å; I195-F229 HydrophobicContact CG1-CG 4.31Å; I195-F229 HydrophobicContact CG1-CZ 3.68Å; I195-F229 HydrophobicContact CG2-CD1 3.88Å; I195-F229 HydrophobicContact CG2-CE1 4.3Å; I195-F229 HydrophobicContact CG2-CG 4.12Å; F198-F229 HydrophobicContact CD1-CD1 4.42Å; F198-F229 HydrophobicContact CD1-CE1 4.19Å; F198-F229 HydrophobicContact CE1-CE1 4.44Å; L215-F229 HydrophobicContact CD2-CB 4.37Å; T217-F229 HydrophobicContact CG2-CB 4.06Å; Y225-F229 HydrophobicContact CD1-CE2 4.26Å; Y225-F229 AromaticContact CE1-CE2 3.91Å; Y225-F229 HydrophobicContact CE1-CE2 3.91Å; Y225-F229 WeakPolarHBondContact O-CD2 3.25Å; D226-F229 PolarHBondContact O-N 2.65Å; G227-F229 VanDerWaalsContact C-N 3.34Å; G227-F229 PolarHBondContact O-N 3.44Å; F229-D231 PolarHBondContact O-N 2.92Å; F229-I232 PolarHBondContact O-N 3.29Å; F229-F233 WeakPolarHBondContact O-CD2 3.44Å; F229-F233 PolarHBondContact O-N 2.99Å; F229-K276 HydrophobicContact CE1-CG 4.3Å; F229-K276 HydrophobicContact CE2-CD 4.37Å; F229-K276 HydrophobicContact CZ-CD 4.46Å; F229-K276 HydrophobicContact CZ-CG 4.39Å |
| 230 | K | 98.6 | Very high | 97.8 | Very high | 73 Ų | 73 | 64.9 Ų | 64.9 | 32% | 0.317 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -57.8 | -49.1 | -179.8 | 178.3 | -174 | 172.1 | -174.4 | 0 | 111.4 | D226 G227 F233 Q234 H254 | D226-K230 PolarHBondContact O-N 3.26Å; D226-K230 VanDerWaalsContact O-N 3.16Å; G227-K230 WeakPolarHBondContact O-CB 3.35Å; G227-K230 PolarHBondContact O-N 3.46Å; G227-K230 VanDerWaalsContact O-N 3.14Å; K230-F233 PolarHBondContact O-N 2.96Å; K230-Q234 WeakPolarHBondContact O-CB 3.47Å; K230-Q234 PolarHBondContact O-N 3.15Å; K230-H254 HydrophobicContact CG-CB 4.25Å |
| 231 | D | 98.7 | Very high | 97.9 | Very high | 92 Ų | 92 | 61.6 Ų | 61.6 | 49% | 0.492 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -65.1 | -44.5 | -176.2 | -65.2 | -14.8 | 0 | 0 | 0 | 111.2 | G227 F229 Q234 E235 | G227-D231 WeakPolarHBondContact O-CB 3.26Å; G227-D231 PolarHBondContact O-N 3.21Å; F229-D231 PolarHBondContact O-N 2.92Å; D231-Q234 PolarHBondContact O-N 3.5Å; D231-E235 WeakPolarHBondContact O-CB 3.14Å; D231-E235 PolarHBondContact O-N 3.37Å |
| 232 | I | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.7 | -43.8 | 178.5 | -72.7 | 173 | 0 | 0 | 0 | 111.7 | D192 I195 R196 R228 F229 Q234 E235 I236 | D192-I232 HydrophobicContact CB-CD1 4.11Å; I195-I232 HydrophobicContact CB-CD1 4.03Å; I195-I232 HydrophobicContact CD1-CD1 4.34Å; I195-I232 HydrophobicContact CG2-CB 3.9Å; I195-I232 HydrophobicContact CG2-CD1 3.86Å; I195-I232 HydrophobicContact CG2-CG1 4.47Å; I195-I232 HydrophobicContact CG2-CG2 3.78Å; R196-I232 HydrophobicContact CB-CG2 4.36Å; R196-I232 HydrophobicContact CG-CD1 4.48Å; R196-I232 HydrophobicContact CG-CG2 3.48Å; R196-I232 VanDerWaalsContact CG-CG2 3.48Å; R228-I232 HydrophobicContact CG-CD1 3.88Å; R228-I232 WeakPolarHBondContact O-CB 3.33Å; R228-I232 VanDerWaalsContact O-CG1 3.29Å; R228-I232 WeakPolarHBondContact O-CG1 3.34Å; R228-I232 PolarHBondContact O-N 2.7Å; F229-I232 PolarHBondContact O-N 3.29Å; I232-Q234 VanDerWaalsContact C-N 3.32Å; I232-Q234 PolarHBondContact O-N 3.01Å; I232-E235 PolarHBondContact O-N 3.28Å; I232-I236 HydrophobicContact CG2-CD1 3.85Å; I232-I236 WeakPolarHBondContact O-CB 3.46Å; I232-I236 WeakPolarHBondContact O-CG1 3.45Å; I232-I236 PolarHBondContact O-N 3.48Å |
| 233 | F | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.6 | -41.6 | 176.8 | -93.1 | -114.6 | 0 | 0 | 0 | 111.5 | I195 F198 A199 C202 F203 L213 L215 F229 K230 Y237 Y252 A274 | I195-F233 HydrophobicContact CG2-CD2 4.48Å; I195-F233 HydrophobicContact CG2-CE2 4.47Å; F198-F233 AromaticContact CD1-CE2 3.54Å; F198-F233 HydrophobicContact CD1-CE2 3.54Å; F198-F233 AromaticContact CD1-CZ 3.49Å; F198-F233 HydrophobicContact CD1-CZ 3.49Å; F198-F233 VanDerWaalsContact CD1-CZ 3.49Å; F198-F233 AromaticContact CE1-CE2 3.83Å; F198-F233 HydrophobicContact CE1-CE2 3.83Å; F198-F233 AromaticContact CE1-CZ 3.48Å; F198-F233 HydrophobicContact CE1-CZ 3.48Å; F198-F233 VanDerWaalsContact CE1-CZ 3.48Å; F198-F233 HydrophobicContact CG-CE2 4.39Å; F198-F233 HydrophobicContact CG-CZ 4.16Å; F198-F233 HydrophobicContact CZ-CZ 4.17Å; A199-F233 VanDerWaalsContact CA-CZ 3.41Å; A199-F233 HydrophobicContact CB-CD1 4.09Å; A199-F233 HydrophobicContact CB-CD2 3.56Å; A199-F233 HydrophobicContact CB-CE1 4.07Å; A199-F233 HydrophobicContact CB-CE2 3.53Å; A199-F233 HydrophobicContact CB-CG 3.85Å; A199-F233 HydrophobicContact CB-CZ 3.8Å; C202-F233 HydrophobicContact CB-CE1 4.28Å; F203-F233 AromaticContact CE2-CD1 3.99Å; F203-F233 HydrophobicContact CE2-CD1 3.99Å; F203-F233 HydrophobicContact CE2-CG 4.48Å; F203-F233 AromaticContact CZ-CD1 3.99Å; F203-F233 HydrophobicContact CZ-CD1 3.99Å; F203-F233 WeakPolarHBondContact CZ-O 3.28Å; L213-F233 HydrophobicContact CD2-CE1 4.49Å; L215-F233 HydrophobicContact CB-CD1 3.94Å; L215-F233 HydrophobicContact CB-CE1 4.13Å; L215-F233 HydrophobicContact CB-CG 4.4Å; L215-F233 HydrophobicContact CD1-CD2 4.44Å; L215-F233 HydrophobicContact CD1-CE1 4.18Å; L215-F233 HydrophobicContact CD1-CE2 4.11Å; L215-F233 HydrophobicContact CD1-CZ 3.97Å; L215-F233 HydrophobicContact CD2-CB 3.84Å; L215-F233 HydrophobicContact CD2-CD1 4.02Å; L215-F233 HydrophobicContact CD2-CD2 3.74Å; L215-F233 HydrophobicContact CD2-CE1 4.49Å; L215-F233 HydrophobicContact CD2-CE2 4.25Å; L215-F233 HydrophobicContact CD2-CG 3.61Å; L215-F233 HydrophobicContact CG-CD1 4.35Å; L215-F233 HydrophobicContact CG-CE1 4.48Å; L215-F233 HydrophobicContact CG-CG 4.41Å; F229-F233 WeakPolarHBondContact O-CD2 3.44Å; F229-F233 PolarHBondContact O-N 2.99Å; K230-F233 PolarHBondContact O-N 2.96Å; F233-Y237 WeakPolarHBondContact O-CB 3.31Å; F233-Y237 PolarHBondContact O-N 3.43Å; F233-Y252 HydrophobicContact CB-CE1 4.49Å; F233-Y252 HydrophobicContact CB-CE2 4.38Å; F233-Y252 WeakPolarHBondContact CB-OH 3.49Å; F233-Y252 AromaticContact CD1-CE2 3.95Å; F233-Y252 HydrophobicContact CD1-CE2 3.95Å; F233-A274 HydrophobicContact CE1-CB 3.95Å; F233-A274 HydrophobicContact CZ-CB 4.13Å |
| 234 | Q | 98.8 | Very high | 98.1 | Very high | 67 Ų | 67 | 53.5 Ų | 53.5 | 31% | 0.313 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -64.9 | -46.4 | 177.8 | -171 | 61.7 | 54.3 | 0 | 0 | 111.4 | K230 D231 I232 I236 Y237 D238 | K230-Q234 WeakPolarHBondContact O-CB 3.47Å; K230-Q234 PolarHBondContact O-N 3.15Å; D231-Q234 PolarHBondContact O-N 3.5Å; I232-Q234 VanDerWaalsContact C-N 3.32Å; I232-Q234 PolarHBondContact O-N 3.01Å; Q234-I236 VanDerWaalsContact C-N 3.33Å; Q234-I236 PolarHBondContact O-N 2.65Å; Q234-Y237 PolarHBondContact O-N 3.28Å; Q234-D238 VanDerWaalsContact NE2-CG 3.26Å; Q234-D238 PolarHBondContact NE2-OD1 2.79Å; Q234-D238 PolarHBondContact NE2-OD2 3.33Å; Q234-D238 WeakPolarHBondContact O-CB 3.42Å; Q234-D238 VanDerWaalsContact O-CG 3.27Å; Q234-D238 PolarHBondContact O-N 3.43Å |
| 235 | E | 98.6 | Very high | 98.2 | Very high | 92 Ų | 92 | 46.4 Ų | 46.4 | 43% | 0.43 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -55.5 | -47 | 176.5 | -174.9 | -161.2 | 128.1 | 0 | 0 | 111.7 | R196 D231 I232 S239 | R196-E235 IonicContact CZ-OE1 3.28Å; R196-E235 VanDerWaalsContact CZ-OE1 3.31Å; R196-E235 IonicContact CZ-OE2 3.48Å; R196-E235 IonicContact NH1-OE1 2.99Å; R196-E235 PolarHBondContact NH1-OE1 3.37Å; R196-E235 IonicContact NH1-OE2 2.76Å; R196-E235 VanDerWaalsContact NH2-CD 3.3Å; R196-E235 IonicContact NH2-OE1 2.93Å; R196-E235 PolarHBondContact NH2-OE1 3.32Å; R196-E235 IonicContact NH2-OE2 2.87Å; R196-E235 PolarHBondContact NH2-OE2 3.1Å; D231-E235 WeakPolarHBondContact O-CB 3.14Å; D231-E235 PolarHBondContact O-N 3.37Å; I232-E235 PolarHBondContact O-N 3.28Å; E235-S239 WeakPolarHBondContact O-CB 3.42Å; E235-S239 PolarHBondContact O-N 2.87Å; E235-S239 PolarHBondContact O-OG 2.95Å |
| 236 | I | 98.1 | Very high | 98.2 | Very high | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -67.3 | -41.3 | 178.4 | -72.3 | 170.5 | 0 | 0 | 0 | 111.3 | R196 A199 K200 F203 I232 Q234 D238 S239 E240 Y241 | R196-I236 HydrophobicContact CB-CD1 4.09Å; R196-I236 HydrophobicContact CG-CD1 4.03Å; A199-I236 HydrophobicContact CB-CD1 3.67Å; K200-I236 HydrophobicContact CG-CD1 4.3Å; K200-I236 HydrophobicContact CG-CG2 4.3Å; F203-I236 HydrophobicContact CD2-CG2 3.74Å; F203-I236 HydrophobicContact CE2-CB 4.19Å; F203-I236 HydrophobicContact CE2-CG2 3.77Å; I232-I236 HydrophobicContact CG2-CD1 3.85Å; I232-I236 WeakPolarHBondContact O-CB 3.46Å; I232-I236 WeakPolarHBondContact O-CG1 3.45Å; I232-I236 PolarHBondContact O-N 3.48Å; Q234-I236 VanDerWaalsContact C-N 3.33Å; Q234-I236 PolarHBondContact O-N 2.65Å; I236-D238 PolarHBondContact O-N 2.95Å; I236-S239 PolarHBondContact O-N 2.81Å; I236-S239 PolarHBondContact O-OG 3.47Å; I236-E240 PolarHBondContact O-N 3.41Å; I236-Y241 HydrophobicContact CG2-CD2 3.66Å; I236-Y241 HydrophobicContact CG2-CE2 3.51Å |
| 237 | Y | 98.6 | Very high | 98.2 | Very high | 26 Ų | 26 | 55.7 Ų | 55.7 | 10% | 0.102 | 29% | 0.291 | C | S | . | . | I | π-helix | trans | -60.5 | -47.6 | 177.9 | 177.3 | -108.1 | 0 | 0 | 0 | 111.8 | F203 F233 Q234 Y241 T242 F245 Y252 | F203-Y237 HydrophobicContact CD1-CD2 4.3Å; F203-Y237 AromaticContact CE1-CD2 3.67Å; F203-Y237 HydrophobicContact CE1-CD2 3.67Å; F203-Y237 HydrophobicContact CE1-CG 4.19Å; F203-Y237 HydrophobicContact CZ-CD2 4.31Å; F203-Y237 HydrophobicContact CZ-CG 4.41Å; F233-Y237 WeakPolarHBondContact O-CB 3.31Å; F233-Y237 PolarHBondContact O-N 3.43Å; Q234-Y237 PolarHBondContact O-N 3.28Å; Y237-Y241 CarbonylContact O-C 3.56Å; Y237-Y241 PolarHBondContact O-N 3.13Å; Y237-Y241 VanDerWaalsContact O-N 3.08Å; Y237-T242 WeakPolarHBondContact CE1-OG1 3.32Å; Y237-T242 PolarHBondContact O-N 3.43Å; Y237-T242 PolarHBondContact O-OG1 3.17Å; Y237-F245 HydrophobicContact CE2-CB 3.97Å; Y237-F245 AromaticContact CE2-CD1 3.93Å; Y237-F245 HydrophobicContact CE2-CD1 3.93Å; Y237-F245 HydrophobicContact CE2-CD2 4.32Å; Y237-F245 AromaticContact CE2-CG 3.81Å; Y237-F245 HydrophobicContact CE2-CG 3.81Å; Y237-Y252 AromaticContact CD1-CD1 3.84Å; Y237-Y252 HydrophobicContact CD1-CD1 3.84Å; Y237-Y252 HydrophobicContact CD2-CD1 4.01Å; Y237-Y252 HydrophobicContact CD2-CG 4.04Å; Y237-Y252 HydrophobicContact CE1-CD1 4.47Å; Y237-Y252 HydrophobicContact CE2-CG 4.5Å; Y237-Y252 AromaticContact CG-CD1 3.56Å; Y237-Y252 HydrophobicContact CG-CD1 3.56Å; Y237-Y252 HydrophobicContact CG-CE1 4.48Å; Y237-Y252 HydrophobicContact CG-CG 4.08Å |
| 238 | D | 98.5 | Very high | 98.2 | Very high | 97 Ų | 97 | 58.8 Ų | 58.8 | 52% | 0.519 | 31% | 0.305 | S | S | . | . | I | π-helix | trans | -66.6 | -38.5 | -177.7 | -68 | -23.9 | 0 | 0 | 0 | 111.5 | Q234 I236 T242 | Q234-D238 VanDerWaalsContact NE2-CG 3.26Å; Q234-D238 PolarHBondContact NE2-OD1 2.79Å; Q234-D238 PolarHBondContact NE2-OD2 3.33Å; Q234-D238 WeakPolarHBondContact O-CB 3.42Å; Q234-D238 VanDerWaalsContact O-CG 3.27Å; Q234-D238 PolarHBondContact O-N 3.43Å; I236-D238 PolarHBondContact O-N 2.95Å; D238-T242 WeakPolarHBondContact CA-OG1 3.35Å |
| 239 | S | 97.9 | Very high | 98.2 | Very high | 82 Ų | 82 | 57.1 Ų | 57.1 | 57% | 0.573 | 32% | 0.318 | S | S | * | . | I | π-helix | trans | -80.2 | -39.6 | -177 | 66.6 | 0 | 0 | 0 | 0 | 114.3 | E235 I236 | E235-S239 WeakPolarHBondContact O-CB 3.42Å; E235-S239 PolarHBondContact O-N 2.87Å; E235-S239 PolarHBondContact O-OG 2.95Å; I236-S239 PolarHBondContact O-N 2.81Å; I236-S239 PolarHBondContact O-OG 3.47Å |
| 240 | E | 96.5 | Very high | 98.2 | Very high | 93 Ų | 93 | 57.8 Ų | 57.8 | 44% | 0.435 | 32% | 0.322 | S | S | . | . | I | π-helix | trans | -119.1 | -28.3 | -166.6 | -69.5 | 176.8 | -128.6 | 0 | 0 | 114 | K200 I236 | K200-E240 WeakPolarHBondContact CE-OE1 3.24Å; K200-E240 IonicContact NZ-OE1 2.74Å; K200-E240 PolarHBondContact NZ-OE1 3.42Å; K200-E240 IonicContact NZ-OE2 3.08Å; K200-E240 PolarHBondContact NZ-OE2 3.47Å; I236-E240 PolarHBondContact O-N 3.41Å |
| 241 | Y | 97.4 | Very high | 98.2 | Very high | 5 Ų | 5 | 59.9 Ų | 59.9 | 2% | 0.02 | 33% | 0.328 | C | S | . | . | I | π-helix | trans | -116.8 | -19.7 | -163.8 | -68.4 | -80.6 | 0 | 0 | 0 | 115.9 | F203 E204 L207 I236 Y237 G243 R244 F245 | F203-Y241 HydrophobicContact CB-CD1 3.6Å; F203-Y241 HydrophobicContact CB-CD2 3.82Å; F203-Y241 HydrophobicContact CB-CE1 3.49Å; F203-Y241 VanDerWaalsContact CB-CE1 3.49Å; F203-Y241 HydrophobicContact CB-CE2 3.72Å; F203-Y241 HydrophobicContact CB-CG 3.76Å; F203-Y241 HydrophobicContact CD1-CD2 4.35Å; F203-Y241 HydrophobicContact CD1-CG 4.17Å; F203-Y241 AromaticContact CD2-CD2 3.82Å; F203-Y241 HydrophobicContact CD2-CD2 3.82Å; F203-Y241 AromaticContact CD2-CE2 3.92Å; F203-Y241 HydrophobicContact CD2-CE2 3.92Å; F203-Y241 HydrophobicContact CD2-CG 4.41Å; F203-Y241 HydrophobicContact CG-CD1 4.24Å; F203-Y241 AromaticContact CG-CD2 3.76Å; F203-Y241 HydrophobicContact CG-CD2 3.76Å; F203-Y241 HydrophobicContact CG-CE1 4.46Å; F203-Y241 HydrophobicContact CG-CE2 4.01Å; F203-Y241 AromaticContact CG-CG 3.89Å; F203-Y241 HydrophobicContact CG-CG 3.89Å; E204-Y241 HydrophobicContact CG-CE1 4.37Å; E204-Y241 WeakPolarHBondContact OE1-CE1 3.42Å; E204-Y241 VanDerWaalsContact OE1-CZ 3.31Å; E204-Y241 PolarHBondContact OE1-OH 2.71Å; L207-Y241 HydrophobicContact CD1-CD1 3.77Å; L207-Y241 HydrophobicContact CD1-CE1 3.89Å; I236-Y241 HydrophobicContact CG2-CD2 3.66Å; I236-Y241 HydrophobicContact CG2-CE2 3.51Å; Y237-Y241 CarbonylContact O-C 3.56Å; Y237-Y241 PolarHBondContact O-N 3.13Å; Y237-Y241 VanDerWaalsContact O-N 3.08Å; Y241-G243 VanDerWaalsContact C-N 3.31Å; Y241-G243 PolarHBondContact O-N 2.8Å; Y241-R244 VanDerWaalsContact CE1-NH1 3.32Å; Y241-R244 PolarHBondContact O-N 2.95Å; Y241-R244 VanDerWaalsContact O-N 3.09Å; Y241-F245 HydrophobicContact CD1-CD2 4.47Å; Y241-F245 HydrophobicContact CD1-CE2 4.05Å; Y241-F245 HydrophobicContact CG-CE2 4.38Å; Y241-F245 WeakPolarHBondContact O-CD2 3.49Å; Y241-F245 PolarHBondContact O-N 2.91Å |
| 242 | T | 98.1 | Very high | 98.2 | Very high | 29 Ų | 29 | 56.3 Ų | 56.3 | 18% | 0.178 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -51.8 | -47.1 | -175.9 | -69.4 | 0 | 0 | 0 | 0 | 112.6 | Y237 D238 K246 | Y237-T242 WeakPolarHBondContact CE1-OG1 3.32Å; Y237-T242 PolarHBondContact O-N 3.43Å; Y237-T242 PolarHBondContact O-OG1 3.17Å; D238-T242 WeakPolarHBondContact CA-OG1 3.35Å; T242-K246 HydrophobicContact CG2-CD 4.01Å; T242-K246 WeakPolarHBondContact O-CB 3.37Å; T242-K246 VanDerWaalsContact O-CG 3.32Å; T242-K246 WeakPolarHBondContact O-CG 3.39Å; T242-K246 PolarHBondContact O-N 3.38Å; T242-K246 VanDerWaalsContact O-N 3.07Å |
| 243 | G | 97.9 | Very high | 98.1 | Very high | 53 Ų | 53 | 59.2 Ų | 59.2 | 55% | 0.546 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -65.2 | -42.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y241 S247 | Y241-G243 VanDerWaalsContact C-N 3.31Å; Y241-G243 PolarHBondContact O-N 2.8Å; G243-S247 PolarHBondContact O-N 3.31Å; G243-S247 VanDerWaalsContact O-N 3.09Å; G243-S247 PolarHBondContact O-OG 3.01Å |
| 244 | R | 97.7 | Very high | 98.1 | Very high | 107 Ų | 107 | 60.9 Ų | 60.9 | 40% | 0.404 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -69.1 | -35.4 | -179.3 | -65.7 | 170 | 71.5 | -163.8 | 1.3 | 112.1 | E204 L207 Y241 S247 | E204-R244 IonicContact OE1-CZ 2.85Å; E204-R244 IonicContact OE1-NH1 2.76Å; E204-R244 PolarHBondContact OE1-NH1 2.98Å; E204-R244 IonicContact OE1-NH2 2.55Å; E204-R244 IonicContact OE2-CZ 3.75Å; E204-R244 IonicContact OE2-NH1 2.77Å; E204-R244 PolarHBondContact OE2-NH1 3.28Å; E204-R244 IonicContact OE2-NH2 3.77Å; E204-R244 PolarHBondContact OE2-NH2 3.27Å; L207-R244 HydrophobicContact CD1-CB 4.14Å; L207-R244 VanDerWaalsContact CD1-NE 3.33Å; L207-R244 HydrophobicContact CD2-CB 3.9Å; Y241-R244 VanDerWaalsContact CE1-NH1 3.32Å; Y241-R244 PolarHBondContact O-N 2.95Å; Y241-R244 VanDerWaalsContact O-N 3.09Å; R244-S247 PolarHBondContact O-OG 3.33Å |
| 245 | F | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -71.1 | -46.8 | 176.3 | -88.8 | -120.7 | 0 | 0 | 0 | 111.3 | F203 A206 L207 L213 Y237 Y241 S247 L248 G249 I250 | F203-F245 HydrophobicContact CB-CE2 4.44Å; F203-F245 HydrophobicContact CD1-CE1 4.41Å; F203-F245 AromaticContact CD1-CE2 3.96Å; F203-F245 HydrophobicContact CD1-CE2 3.96Å; F203-F245 AromaticContact CD1-CZ 3.67Å; F203-F245 HydrophobicContact CD1-CZ 3.67Å; F203-F245 HydrophobicContact CE1-CZ 4.46Å; A206-F245 HydrophobicContact CB-CE1 4.41Å; A206-F245 HydrophobicContact CB-CZ 3.87Å; L207-F245 HydrophobicContact CD1-CE2 4.22Å; L207-F245 HydrophobicContact CD2-CD2 3.6Å; L207-F245 HydrophobicContact CD2-CE2 3.64Å; L207-F245 HydrophobicContact CG-CD2 4.09Å; L207-F245 HydrophobicContact CG-CE2 3.62Å; L207-F245 HydrophobicContact CG-CZ 4.45Å; L213-F245 HydrophobicContact CB-CE1 4.18Å; L213-F245 HydrophobicContact CB-CZ 4.44Å; Y237-F245 HydrophobicContact CE2-CB 3.97Å; Y237-F245 AromaticContact CE2-CD1 3.93Å; Y237-F245 HydrophobicContact CE2-CD1 3.93Å; Y237-F245 HydrophobicContact CE2-CD2 4.32Å; Y237-F245 AromaticContact CE2-CG 3.81Å; Y237-F245 HydrophobicContact CE2-CG 3.81Å; Y241-F245 HydrophobicContact CD1-CD2 4.47Å; Y241-F245 HydrophobicContact CD1-CE2 4.05Å; Y241-F245 HydrophobicContact CG-CE2 4.38Å; Y241-F245 WeakPolarHBondContact O-CD2 3.49Å; Y241-F245 PolarHBondContact O-N 2.91Å; F245-S247 VanDerWaalsContact C-N 3.34Å; F245-S247 PolarHBondContact O-N 3.45Å; F245-L248 PolarHBondContact O-N 3.03Å; F245-L248 VanDerWaalsContact O-N 3.15Å; F245-G249 PolarHBondContact O-N 2.82Å; F245-G249 VanDerWaalsContact O-N 3.14Å; F245-I250 CarbonylContact C-O 3.58Å; F245-I250 HydrophobicContact CB-CG1 4.06Å; F245-I250 HydrophobicContact CD1-CB 4.45Å; F245-I250 HydrophobicContact CD1-CD1 3.82Å; F245-I250 HydrophobicContact CD1-CG1 3.69Å; F245-I250 HydrophobicContact CD2-CD1 4.41Å; F245-I250 HydrophobicContact CE1-CD1 3.94Å; F245-I250 HydrophobicContact CE1-CG1 4.28Å; F245-I250 HydrophobicContact CG-CD1 4.05Å; F245-I250 HydrophobicContact CG-CG1 3.91Å; F245-I250 HydrophobicContact CZ-CD1 4.28Å; F245-I250 WeakPolarHBondContact O-CG1 3.43Å; F245-I250 PolarHBondContact O-N 2.83Å; F245-I250 VanDerWaalsContact O-N 3.09Å |
| 246 | K | 98.1 | Very high | 98.1 | Very high | 150 Ų | 150 | 58.3 Ų | 58.3 | 65% | 0.652 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -59.9 | -41 | 177.8 | -76.3 | 177 | 179 | 174.6 | 0 | 112.6 | T242 L248 G249 | T242-K246 HydrophobicContact CG2-CD 4.01Å; T242-K246 WeakPolarHBondContact O-CB 3.37Å; T242-K246 VanDerWaalsContact O-CG 3.32Å; T242-K246 WeakPolarHBondContact O-CG 3.39Å; T242-K246 PolarHBondContact O-N 3.38Å; T242-K246 VanDerWaalsContact O-N 3.07Å; K246-L248 PolarHBondContact O-N 3Å; K246-G249 PolarHBondContact O-N 3.19Å; K246-G249 VanDerWaalsContact O-N 3.15Å |
| 247 | S | 98.1 | Very high | 98.1 | Very high | 98 Ų | 98 | 59.3 Ų | 59.3 | 69% | 0.685 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -66.2 | -23 | 179.2 | 66.8 | 0 | 0 | 0 | 0 | 113.8 | G243 R244 F245 | G243-S247 PolarHBondContact O-N 3.31Å; G243-S247 VanDerWaalsContact O-N 3.09Å; G243-S247 PolarHBondContact O-OG 3.01Å; R244-S247 PolarHBondContact O-OG 3.33Å; F245-S247 VanDerWaalsContact C-N 3.34Å; F245-S247 PolarHBondContact O-N 3.45Å |
| 248 | L | 97.8 | Very high | 97.9 | Very high | 72 Ų | 72 | 62.1 Ų | 62.1 | 38% | 0.377 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | -2.9 | 176.2 | -67.8 | 175.3 | 0 | 0 | 0 | 113.4 | L207 K210 F245 K246 I250 | L207-L248 HydrophobicContact CD2-CD1 3.63Å; K210-L248 HydrophobicContact CD-CD2 4.36Å; K210-L248 HydrophobicContact CG-CD1 4.35Å; K210-L248 HydrophobicContact CG-CD2 4.44Å; F245-L248 PolarHBondContact O-N 3.03Å; F245-L248 VanDerWaalsContact O-N 3.15Å; K246-L248 PolarHBondContact O-N 3Å; L248-I250 VanDerWaalsContact C-N 3.29Å; L248-I250 HydrophobicContact CB-CD1 4.37Å; L248-I250 HydrophobicContact CB-CG1 4.03Å; L248-I250 HydrophobicContact CD1-CD1 4.33Å; L248-I250 PolarHBondContact O-N 2.79Å |
| 249 | G | 98.1 | Very high | 97.9 | Very high | 61 Ų | 61 | 61.1 Ų | 61.1 | 63% | 0.629 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.3 | 24.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | F245 K246 | F245-G249 PolarHBondContact O-N 2.82Å; F245-G249 VanDerWaalsContact O-N 3.14Å; K246-G249 PolarHBondContact O-N 3.19Å; K246-G249 VanDerWaalsContact O-N 3.15Å |
| 250 | I | 98.4 | Very high | 97.9 | Very high | 15 Ų | 15 | 57.3 Ų | 57.3 | 8% | 0.077 | 31% | 0.306 | C | S | . | . | trans | -111.8 | 165.3 | 176.8 | 60.6 | 171.5 | 0 | 0 | 0 | 110.8 | L207 K210 W211 F245 L248 | L207-I250 HydrophobicContact CD2-CD1 4.21Å; K210-I250 WeakPolarHBondContact O-CG2 3.45Å; W211-I250 WeakPolarHBondContact O-CD1 3.39Å; F245-I250 CarbonylContact C-O 3.58Å; F245-I250 HydrophobicContact CB-CG1 4.06Å; F245-I250 HydrophobicContact CD1-CB 4.45Å; F245-I250 HydrophobicContact CD1-CD1 3.82Å; F245-I250 HydrophobicContact CD1-CG1 3.69Å; F245-I250 HydrophobicContact CD2-CD1 4.41Å; F245-I250 HydrophobicContact CE1-CD1 3.94Å; F245-I250 HydrophobicContact CE1-CG1 4.28Å; F245-I250 HydrophobicContact CG-CD1 4.05Å; F245-I250 HydrophobicContact CG-CG1 3.91Å; F245-I250 HydrophobicContact CZ-CD1 4.28Å; F245-I250 WeakPolarHBondContact O-CG1 3.43Å; F245-I250 PolarHBondContact O-N 2.83Å; F245-I250 VanDerWaalsContact O-N 3.09Å; L248-I250 VanDerWaalsContact C-N 3.29Å; L248-I250 HydrophobicContact CB-CD1 4.37Å; L248-I250 HydrophobicContact CB-CG1 4.03Å; L248-I250 HydrophobicContact CD1-CD1 4.33Å; L248-I250 PolarHBondContact O-N 2.79Å | ||
| 251 | W | 98.5 | Very high | 97.9 | Very high | 117 Ų | 117 | 54.9 Ų | 54.9 | 44% | 0.443 | 30% | 0.297 | S | S | . | . | trans | -135.5 | 163.2 | -177.1 | 64.3 | 99.3 | 0 | 0 | 0 | 112 | P212 L213 Y214 | P212-W251 VanDerWaalsContact CA-O 3.28Å; P212-W251 WeakPolarHBondContact CA-O 3.46Å; P212-W251 HydrophobicContact CB-CD2 3.73Å; P212-W251 HydrophobicContact CB-CE3 4.01Å; P212-W251 HydrophobicContact CB-CG 4.26Å; P212-W251 HydrophobicContact CB-CH2 4.13Å; P212-W251 HydrophobicContact CB-CZ2 3.88Å; P212-W251 HydrophobicContact CB-CZ3 4.18Å; P212-W251 HydrophobicContact CG-CH2 3.95Å; P212-W251 HydrophobicContact CG-CZ2 3.96Å; P212-W251 HydrophobicContact CG-CZ3 4.28Å; L213-W251 PolarHBondContact N-O 3.25Å; Y214-W251 AromaticContact CE1-NE1 3.98Å; Y214-W251 AromaticContact CZ-NE1 3.68Å; Y214-W251 VanDerWaalsContact OH-CZ2 3.23Å; Y214-W251 WeakPolarHBondContact OH-CZ2 3.29Å; Y214-W251 PolarHBondContact OH-NE1 2.89Å; Y214-W251 VanDerWaalsContact OH-NE1 3.16Å | ||
| 252 | Y | 98.7 | Very high | 97.9 | Very high | 17 Ų | 17 | 56.4 Ų | 56.4 | 7% | 0.067 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 140.6 | 166.6 | 162.8 | -112.3 | 0 | 0 | 0 | 108.7 | F203 L213 L215 F233 Y237 | F203-Y252 HydrophobicContact CE1-CD1 4.21Å; F203-Y252 AromaticContact CE1-CD2 3.72Å; F203-Y252 HydrophobicContact CE1-CD2 3.72Å; F203-Y252 HydrophobicContact CE1-CE2 4.39Å; F203-Y252 AromaticContact CE1-CG 3.63Å; F203-Y252 HydrophobicContact CE1-CG 3.63Å; F203-Y252 HydrophobicContact CZ-CD1 4.22Å; F203-Y252 AromaticContact CZ-CD2 3.97Å; F203-Y252 HydrophobicContact CZ-CD2 3.97Å; F203-Y252 HydrophobicContact CZ-CE1 4.42Å; F203-Y252 HydrophobicContact CZ-CE2 4.19Å; F203-Y252 AromaticContact CZ-CG 4Å; F203-Y252 HydrophobicContact CZ-CG 4Å; L213-Y252 HydrophobicContact CB-CD2 4.33Å; L213-Y252 HydrophobicContact CD2-CD2 4.02Å; L213-Y252 HydrophobicContact CG-CD2 4.07Å; L213-Y252 VanDerWaalsContact O-CA 3.31Å; L213-Y252 WeakPolarHBondContact O-CA 3.37Å; L215-Y252 HydrophobicContact CB-CE2 3.9Å; F233-Y252 HydrophobicContact CB-CE1 4.49Å; F233-Y252 HydrophobicContact CB-CE2 4.38Å; F233-Y252 WeakPolarHBondContact CB-OH 3.49Å; F233-Y252 AromaticContact CD1-CE2 3.95Å; F233-Y252 HydrophobicContact CD1-CE2 3.95Å; Y237-Y252 AromaticContact CD1-CD1 3.84Å; Y237-Y252 HydrophobicContact CD1-CD1 3.84Å; Y237-Y252 HydrophobicContact CD2-CD1 4.01Å; Y237-Y252 HydrophobicContact CD2-CG 4.04Å; Y237-Y252 HydrophobicContact CE1-CD1 4.47Å; Y237-Y252 HydrophobicContact CE2-CG 4.5Å; Y237-Y252 AromaticContact CG-CD1 3.56Å; Y237-Y252 HydrophobicContact CG-CD1 3.56Å; Y237-Y252 HydrophobicContact CG-CE1 4.48Å; Y237-Y252 HydrophobicContact CG-CG 4.08Å |
| 253 | E | 98.3 | Very high | 97.9 | Very high | 62 Ų | 62 | 58.4 Ų | 58.4 | 29% | 0.29 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 137.7 | 175.9 | -170.6 | -178.7 | 158 | 0 | 0 | 111.1 | L213 Y214 L215 R255 | L213-E253 PolarHBondContact O-N 2.97Å; Y214-E253 VanDerWaalsContact CA-O 3.27Å; Y214-E253 WeakPolarHBondContact CA-O 3.39Å; Y214-E253 HydrophobicContact CD1-CB 3.84Å; Y214-E253 HydrophobicContact CD1-CG 4.46Å; Y214-E253 HydrophobicContact CE1-CB 3.88Å; Y214-E253 HydrophobicContact CE1-CG 4.42Å; Y214-E253 WeakPolarHBondContact CE1-OE2 3.38Å; L215-E253 PolarHBondContact N-O 2.97Å; E253-R255 HydrophobicContact CG-CG 4.24Å; E253-R255 IonicContact OE1-CZ 3.23Å; E253-R255 IonicContact OE1-NE 3.92Å; E253-R255 PolarHBondContact OE1-NE 3Å; E253-R255 IonicContact OE1-NH2 3.18Å; E253-R255 PolarHBondContact OE1-NH2 3.37Å; E253-R255 IonicContact OE2-CZ 2.6Å; E253-R255 IonicContact OE2-NE 2.67Å; E253-R255 IonicContact OE2-NH2 3.04Å; E253-R255 PolarHBondContact OE2-NH2 2.98Å |
| 254 | H | 98.5 | Very high | 97.8 | Very high | 34 Ų | 34 | 55.9 Ų | 55.9 | 16% | 0.157 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 133.7 | 165.1 | 172.5 | -93.1 | 0 | 0 | 0 | 110.1 | L215 T217 N219 K230 | L215-H254 CarbonylContact O-C 3.55Å; L215-H254 WeakPolarHBondContact O-CA 3.42Å; L215-H254 PolarHBondContact O-CD2 3.47Å; T217-H254 PolarHBondContact OG1-NE2 3.33Å; N219-H254 PolarHBondContact OD1-CE1 3.22Å; K230-H254 HydrophobicContact CG-CB 4.25Å |
| 255 | R | 98.1 | Very high | 97.8 | Very high | 52 Ų | 52 | 54.7 Ų | 54.7 | 20% | 0.196 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 158.4 | 174.4 | -72.2 | -172.5 | 172.1 | -112.6 | -4.8 | 112 | Y214 L215 S216 T217 E253 D259 M260 | Y214-R255 HydrophobicContact CD1-CG 4.32Å; L215-R255 PolarHBondContact O-N 2.83Å; S216-R255 WeakPolarHBondContact CA-O 3.38Å; T217-R255 PolarHBondContact N-O 2.96Å; E253-R255 HydrophobicContact CG-CG 4.24Å; E253-R255 IonicContact OE1-CZ 3.23Å; E253-R255 IonicContact OE1-NE 3.92Å; E253-R255 PolarHBondContact OE1-NE 3Å; E253-R255 IonicContact OE1-NH2 3.18Å; E253-R255 PolarHBondContact OE1-NH2 3.37Å; E253-R255 IonicContact OE2-CZ 2.6Å; E253-R255 IonicContact OE2-NE 2.67Å; E253-R255 IonicContact OE2-NH2 3.04Å; E253-R255 PolarHBondContact OE2-NH2 2.98Å; R255-D259 IonicContact CZ-OD2 3.77Å; R255-D259 IonicContact NH1-OD2 3.31Å; R255-D259 PolarHBondContact NH1-OD2 3.17Å; R255-M260 HydrophobicContact CB-CB 4.13Å; R255-M260 HydrophobicContact CB-SD 4.46Å |
| 256 | L | 98.3 | Very high | 97.7 | Very high | 53 Ų | 53 | 62.9 Ų | 62.9 | 28% | 0.277 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 139.8 | 167.2 | -63.3 | 178.4 | 0 | 0 | 0 | 109.7 | T217 N219 T220 D258 D259 M260 | T217-L256 CarbonylContact O-C 3.55Å; T217-L256 VanDerWaalsContact O-CA 3.29Å; T217-L256 WeakPolarHBondContact O-CA 3.39Å; N219-L256 WeakPolarHBondContact OD1-CD2 3.35Å; T220-L256 HydrophobicContact CG2-CD1 4.27Å; T220-L256 HydrophobicContact CG2-CD2 4Å; L256-D258 VanDerWaalsContact C-N 3.28Å; L256-D258 WeakPolarHBondContact CB-OD1 3.33Å; L256-D258 PolarHBondContact O-N 2.9Å; L256-D259 HydrophobicContact CB-CB 4.45Å; L256-D259 PolarHBondContact O-N 3.47Å; L256-D259 VanDerWaalsContact O-N 3.15Å; L256-M260 WeakPolarHBondContact O-CB 3.38Å; L256-M260 PolarHBondContact O-N 2.85Å |
| 257 | I | 97.6 | Very high | 97.6 | Very high | 22 Ų | 22 | 56.6 Ų | 56.6 | 11% | 0.113 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -55.4 | -40.5 | -175.2 | -175.8 | 65.7 | 0 | 0 | 0 | 113.3 | S216 T217 K218 M260 V261 W273 D279 | S216-I257 WeakPolarHBondContact OG-CD1 3.46Å; T217-I257 PolarHBondContact O-N 3.12Å; K218-I257 HydrophobicContact CB-CG2 4.26Å; K218-I257 HydrophobicContact CD-CG2 3.87Å; I257-M260 PolarHBondContact O-N 3.45Å; I257-V261 VanDerWaalsContact O-CG2 3.32Å; I257-V261 WeakPolarHBondContact O-CG2 3.41Å; I257-V261 PolarHBondContact O-N 2.85Å; I257-W273 HydrophobicContact CD1-CZ2 3.81Å; I257-D279 HydrophobicContact CD1-CB 3.94Å |
| 258 | D | 95.8 | Very high | 97.6 | Very high | 86 Ų | 86 | 54.5 Ų | 54.5 | 46% | 0.46 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -68.1 | -41.7 | 177.6 | 51.4 | -38.3 | 0 | 0 | 0 | 113.1 | K218 L256 A262 | K218-D258 IonicContact NZ-OD1 3.55Å; K218-D258 PolarHBondContact NZ-OD1 3.46Å; K218-D258 IonicContact NZ-OD2 2.8Å; K218-D258 PolarHBondContact NZ-OD2 3.3Å; L256-D258 VanDerWaalsContact C-N 3.28Å; L256-D258 WeakPolarHBondContact CB-OD1 3.33Å; L256-D258 PolarHBondContact O-N 2.9Å; D258-A262 PolarHBondContact O-N 2.62Å |
| 259 | D | 97.3 | Very high | 97.6 | Very high | 76 Ų | 76 | 51.5 Ų | 51.5 | 41% | 0.406 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -65 | -41.9 | 172.8 | 179.7 | 62.9 | 0 | 0 | 0 | 111.1 | R255 L256 V261 A262 Q263 | R255-D259 IonicContact CZ-OD2 3.77Å; R255-D259 IonicContact NH1-OD2 3.31Å; R255-D259 PolarHBondContact NH1-OD2 3.17Å; L256-D259 HydrophobicContact CB-CB 4.45Å; L256-D259 PolarHBondContact O-N 3.47Å; L256-D259 VanDerWaalsContact O-N 3.15Å; D259-V261 VanDerWaalsContact C-N 3.35Å; D259-V261 PolarHBondContact O-N 3.44Å; D259-A262 PolarHBondContact O-N 3.1Å; D259-A262 VanDerWaalsContact O-N 3.17Å; D259-Q263 WeakPolarHBondContact O-CB 3.26Å; D259-Q263 PolarHBondContact O-N 3.24Å |
| 260 | M | 98 | Very high | 97.6 | Very high | 2 Ų | 2 | 49.2 Ų | 49.2 | 1% | 0.01 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.2 | -37.3 | -178.7 | -170.1 | 58.1 | -165.4 | 0 | 0 | 112.1 | Y214 R255 L256 I257 Q263 M264 F271 W273 | Y214-M260 HydrophobicContact CD1-CE 4.35Å; Y214-M260 HydrophobicContact CD1-SD 4.13Å; Y214-M260 HydrophobicContact CD2-CE 3.83Å; Y214-M260 HydrophobicContact CG-CE 3.7Å; Y214-M260 HydrophobicContact CG-SD 4.02Å; R255-M260 HydrophobicContact CB-CB 4.13Å; R255-M260 HydrophobicContact CB-SD 4.46Å; L256-M260 WeakPolarHBondContact O-CB 3.38Å; L256-M260 PolarHBondContact O-N 2.85Å; I257-M260 PolarHBondContact O-N 3.45Å; M260-Q263 PolarHBondContact O-N 2.78Å; M260-M264 WeakPolarHBondContact O-CB 3.26Å; M260-M264 PolarHBondContact O-N 2.87Å; M260-F271 HydrophobicContact CE-CD2 3.88Å; M260-F271 HydrophobicContact CE-CE2 3.39Å; M260-F271 HydrophobicContact CE-CZ 3.96Å; M260-W273 HydrophobicContact CB-CZ2 4.13Å; M260-W273 HydrophobicContact CE-CB 4.49Å; M260-W273 HydrophobicContact CE-CD2 4.15Å; M260-W273 HydrophobicContact CE-CG 4Å; M260-W273 HydrophobicContact CG-CD2 4.11Å; M260-W273 VanDerWaalsContact CG-CE2 3.41Å; M260-W273 HydrophobicContact CG-CG 4.43Å; M260-W273 HydrophobicContact CG-CZ2 3.68Å; M260-W273 VanDerWaalsContact CG-NE1 3.33Å |
| 261 | V | 97.6 | Very high | 97.6 | Very high | 41 Ų | 41 | 49.1 Ų | 49.1 | 25% | 0.248 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.9 | -45.4 | 172.7 | 169.8 | 0 | 0 | 0 | 0 | 111.1 | I257 D259 M264 L265 W273 | I257-V261 VanDerWaalsContact O-CG2 3.32Å; I257-V261 WeakPolarHBondContact O-CG2 3.41Å; I257-V261 PolarHBondContact O-N 2.85Å; D259-V261 VanDerWaalsContact C-N 3.35Å; D259-V261 PolarHBondContact O-N 3.44Å; V261-M264 HydrophobicContact CB-CE 4.37Å; V261-M264 HydrophobicContact CG1-CE 4.12Å; V261-M264 HydrophobicContact CG2-CE 4.46Å; V261-M264 PolarHBondContact O-N 3.36Å; V261-L265 PolarHBondContact O-N 3.29Å; V261-W273 HydrophobicContact CG2-CH2 3.9Å; V261-W273 HydrophobicContact CG2-CZ2 4.32Å |
| 262 | A | 97.1 | Very high | 97.6 | Very high | 38 Ų | 38 | 43.5 Ų | 43.5 | 31% | 0.314 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -65.1 | -41.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | D258 D259 L265 K266 | D258-A262 PolarHBondContact O-N 2.62Å; D259-A262 PolarHBondContact O-N 3.1Å; D259-A262 VanDerWaalsContact O-N 3.17Å; A262-L265 PolarHBondContact O-N 3.05Å; A262-K266 WeakPolarHBondContact O-CG 3.12Å; A262-K266 PolarHBondContact O-N 3.17Å; A262-K266 VanDerWaalsContact O-N 3.15Å |
| 263 | Q | 96.7 | Very high | 97.6 | Very high | 70 Ų | 70 | 42.7 Ų | 42.7 | 33% | 0.327 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -66.7 | -41.3 | 177.5 | -178.3 | 58.4 | 19.2 | 0 | 0 | 111.8 | D259 M260 L265 K266 S267 | D259-Q263 WeakPolarHBondContact O-CB 3.26Å; D259-Q263 PolarHBondContact O-N 3.24Å; M260-Q263 PolarHBondContact O-N 2.78Å; Q263-L265 VanDerWaalsContact C-N 3.35Å; Q263-L265 PolarHBondContact O-N 3.39Å; Q263-K266 CarbonylContact O-C 3.58Å; Q263-K266 PolarHBondContact O-N 3.34Å; Q263-K266 VanDerWaalsContact O-N 3.16Å; Q263-S267 VanDerWaalsContact O-CB 3.31Å; Q263-S267 WeakPolarHBondContact O-CB 3.12Å; Q263-S267 PolarHBondContact O-N 3.02Å |
| 264 | M | 97.7 | Very high | 97.6 | Very high | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -56.5 | -48.4 | 176.1 | 179.3 | -113 | -36.2 | 0 | 0 | 110.5 | W131 I135 M260 V261 K266 S267 F271 W273 V287 | W131-M264 HydrophobicContact CH2-SD 3.68Å; W131-M264 HydrophobicContact CZ2-CG 4.13Å; W131-M264 HydrophobicContact CZ2-SD 3.27Å; W131-M264 WeakPolarHBondContact CZ2-SD 3.33Å; W131-M264 PolarHBondContact NE1-O 2.69Å; I135-M264 HydrophobicContact CD1-CG 3.92Å; I135-M264 HydrophobicContact CD1-SD 4.48Å; M260-M264 WeakPolarHBondContact O-CB 3.26Å; M260-M264 PolarHBondContact O-N 2.87Å; V261-M264 HydrophobicContact CB-CE 4.37Å; V261-M264 HydrophobicContact CG1-CE 4.12Å; V261-M264 HydrophobicContact CG2-CE 4.46Å; V261-M264 PolarHBondContact O-N 3.36Å; M264-K266 PolarHBondContact O-N 3.34Å; M264-S267 PolarHBondContact O-N 3.39Å; M264-S267 PolarHBondContact O-OG 2.88Å; M264-F271 HydrophobicContact CB-CZ 4.23Å; M264-F271 HydrophobicContact CG-CZ 4Å; M264-W273 HydrophobicContact CB-CZ3 4.21Å; M264-W273 HydrophobicContact CE-CH2 3.79Å; M264-W273 HydrophobicContact CE-CZ3 3.53Å; M264-W273 HydrophobicContact CG-CE3 4.06Å; M264-W273 HydrophobicContact CG-CZ3 3.78Å; M264-W273 HydrophobicContact SD-CZ3 3.93Å; M264-V287 HydrophobicContact SD-CG2 4.19Å |
| 265 | L | 96.8 | Very high | 97.6 | Very high | 82 Ų | 82 | 38.1 Ų | 38.1 | 43% | 0.429 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -63.4 | -35.2 | 176 | -70.7 | 170.9 | 0 | 0 | 0 | 113.9 | V128 W131 V261 A262 Q263 | V128-L265 HydrophobicContact CG1-CD2 4.2Å; V128-L265 HydrophobicContact CG2-CD2 3.87Å; W131-L265 HydrophobicContact CZ2-CD2 4.07Å; V261-L265 PolarHBondContact O-N 3.29Å; A262-L265 PolarHBondContact O-N 3.05Å; Q263-L265 VanDerWaalsContact C-N 3.35Å; Q263-L265 PolarHBondContact O-N 3.39Å |
| 266 | K | 96.3 | Very high | 97.5 | Very high | 171 Ų | 171 | 36.7 Ų | 36.7 | 74% | 0.743 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -80.3 | -19.8 | 178.5 | -70.4 | 173.5 | -176.3 | 174.8 | 0 | 113.8 | A262 Q263 M264 | A262-K266 WeakPolarHBondContact O-CG 3.12Å; A262-K266 PolarHBondContact O-N 3.17Å; A262-K266 VanDerWaalsContact O-N 3.15Å; Q263-K266 CarbonylContact O-C 3.58Å; Q263-K266 PolarHBondContact O-N 3.34Å; Q263-K266 VanDerWaalsContact O-N 3.16Å; M264-K266 PolarHBondContact O-N 3.34Å |
| 267 | S | 97.3 | Very high | 97.4 | Very high | 18 Ų | 18 | 34.4 Ų | 34.4 | 13% | 0.126 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -73 | 170.8 | -175.7 | 77.5 | 0 | 0 | 0 | 0 | 112.7 | Q263 M264 G269 F271 | Q263-S267 VanDerWaalsContact O-CB 3.31Å; Q263-S267 WeakPolarHBondContact O-CB 3.12Å; Q263-S267 PolarHBondContact O-N 3.02Å; M264-S267 PolarHBondContact O-N 3.39Å; M264-S267 PolarHBondContact O-OG 2.88Å; S267-G269 VanDerWaalsContact C-N 3.32Å; S267-G269 PolarHBondContact OG-N 3.49Å; S267-F271 WeakPolarHBondContact OG-CE1 3.26Å |
| 268 | S | 97.1 | Very high | 97.2 | Very high | 55 Ų | 55 | 38.6 Ų | 38.6 | 39% | 0.385 | 20% | 0.204 | S | C | . | . | trans | -91.1 | 11 | 165.4 | 58.6 | 0 | 0 | 0 | 0 | 113.7 | G130 K132 N133 | G130-S268 WeakPolarHBondContact O-CA 3.49Å; K132-S268 PolarHBondContact N-O 3.12Å; N133-S268 PolarHBondContact N-O 3.31Å | ||
| 269 | G | 97.3 | Very high | 97.3 | Very high | 9 Ų | 9 | 36.2 Ų | 36.2 | 9% | 0.093 | 19% | 0.191 | C | C | . | . | trans | 68.7 | -163.4 | -165.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | N133 S267 | N133-G269 WeakPolarHBondContact O-CA 3.48Å; S267-G269 VanDerWaalsContact C-N 3.32Å; S267-G269 PolarHBondContact OG-N 3.49Å | ||
| 270 | G | 97.6 | Very high | 97.3 | Very high | 13 Ų | 13 | 32.6 Ų | 32.6 | 13% | 0.134 | 17% | 0.172 | C | C | . | . | trans | 88.2 | 40.8 | 178 | 0 | 0 | 0 | 0 | 0 | 113.8 | P134 | P134-G270 WeakPolarHBondContact O-CA 3.48Å; P134-G270 PolarHBondContact O-N 3.41Å | ||
| 271 | F | 98.5 | Very high | 97 | Very high | 12 Ų | 12 | 34.1 Ų | 34.1 | 5% | 0.053 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 158.9 | 178.3 | 56.5 | -91.9 | 0 | 0 | 0 | 110.9 | I135 V136 P212 Y214 M260 M264 S267 W273 | I135-F271 HydrophobicContact CB-CZ 4.46Å; I135-F271 HydrophobicContact CD1-CE1 4.32Å; I135-F271 HydrophobicContact CD1-CZ 3.98Å; I135-F271 HydrophobicContact CG1-CE1 3.98Å; I135-F271 HydrophobicContact CG1-CE2 4.42Å; I135-F271 HydrophobicContact CG1-CZ 3.84Å; I135-F271 HydrophobicContact CG2-CD2 4.21Å; I135-F271 HydrophobicContact CG2-CE2 3.58Å; I135-F271 HydrophobicContact CG2-CZ 3.81Å; V136-F271 PolarHBondContact N-O 2.86Å; V136-F271 VanDerWaalsContact N-O 3.08Å; P212-F271 HydrophobicContact CG-CB 3.96Å; P212-F271 WeakPolarHBondContact O-CA 3.49Å; P212-F271 WeakPolarHBondContact O-CB 3.37Å; Y214-F271 HydrophobicContact CD2-CB 3.92Å; Y214-F271 AromaticContact CD2-CD2 3.9Å; Y214-F271 HydrophobicContact CD2-CD2 3.9Å; Y214-F271 HydrophobicContact CD2-CG 4.03Å; Y214-F271 HydrophobicContact CE2-CB 3.8Å; Y214-F271 HydrophobicContact CE2-CD2 4.35Å; Y214-F271 HydrophobicContact CE2-CG 4.03Å; M260-F271 HydrophobicContact CE-CD2 3.88Å; M260-F271 HydrophobicContact CE-CE2 3.39Å; M260-F271 HydrophobicContact CE-CZ 3.96Å; M264-F271 HydrophobicContact CB-CZ 4.23Å; M264-F271 HydrophobicContact CG-CZ 4Å; S267-F271 WeakPolarHBondContact OG-CE1 3.26Å; F271-W273 HydrophobicContact CD2-CB 4.01Å; F271-W273 HydrophobicContact CE2-CB 3.92Å; F271-W273 HydrophobicContact CE2-CG 4.42Å |
| 272 | V | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 133.5 | 166.9 | -175.9 | 0 | 0 | 0 | 0 | 108 | F115 V136 Y205 A206 P212 L213 Y214 | F115-V272 HydrophobicContact CE1-CG1 4.32Å; V136-V272 HydrophobicContact CB-CG1 4.49Å; V136-V272 HydrophobicContact CB-CG2 4.24Å; V136-V272 HydrophobicContact CG1-CG1 4.23Å; V136-V272 HydrophobicContact CG1-CG2 4.49Å; V136-V272 CarbonylContact O-C 3.59Å; V136-V272 WeakPolarHBondContact O-CA 3.14Å; Y205-V272 HydrophobicContact CD1-CG2 4.12Å; A206-V272 HydrophobicContact CB-CB 4.36Å; A206-V272 HydrophobicContact CB-CG2 4.06Å; P212-V272 PolarHBondContact O-N 3.32Å; L213-V272 WeakPolarHBondContact CA-O 3.27Å; L213-V272 HydrophobicContact CD1-CB 3.79Å; L213-V272 HydrophobicContact CD1-CG1 3.63Å; Y214-V272 PolarHBondContact N-O 3.37Å |
| 273 | W | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 100.8 | -178.5 | -175.6 | 13.3 | 0 | 0 | 0 | 110.3 | V136 I137 G138 Y214 S216 I257 M260 V261 M264 F271 C275 Q283 | V136-W273 PolarHBondContact O-N 2.9Å; I137-W273 WeakPolarHBondContact CA-O 3.5Å; I137-W273 HydrophobicContact CD1-CB 3.99Å; I137-W273 HydrophobicContact CD1-CD2 3.92Å; I137-W273 HydrophobicContact CD1-CE3 3.28Å; I137-W273 HydrophobicContact CD1-CG 4.25Å; I137-W273 HydrophobicContact CD1-CZ3 3.98Å; G138-W273 PolarHBondContact N-O 2.7Å; Y214-W273 CarbonylContact O-C 3.4Å; Y214-W273 WeakPolarHBondContact O-CA 3.48Å; S216-W273 PolarHBondContact OG-NE1 2.83Å; I257-W273 HydrophobicContact CD1-CZ2 3.81Å; M260-W273 HydrophobicContact CB-CZ2 4.13Å; M260-W273 HydrophobicContact CE-CB 4.49Å; M260-W273 HydrophobicContact CE-CD2 4.15Å; M260-W273 HydrophobicContact CE-CG 4Å; M260-W273 HydrophobicContact CG-CD2 4.11Å; M260-W273 VanDerWaalsContact CG-CE2 3.41Å; M260-W273 HydrophobicContact CG-CG 4.43Å; M260-W273 HydrophobicContact CG-CZ2 3.68Å; M260-W273 VanDerWaalsContact CG-NE1 3.33Å; V261-W273 HydrophobicContact CG2-CH2 3.9Å; V261-W273 HydrophobicContact CG2-CZ2 4.32Å; M264-W273 HydrophobicContact CB-CZ3 4.21Å; M264-W273 HydrophobicContact CE-CH2 3.79Å; M264-W273 HydrophobicContact CE-CZ3 3.53Å; M264-W273 HydrophobicContact CG-CE3 4.06Å; M264-W273 HydrophobicContact CG-CZ3 3.78Å; M264-W273 HydrophobicContact SD-CZ3 3.93Å; F271-W273 HydrophobicContact CD2-CB 4.01Å; F271-W273 HydrophobicContact CE2-CB 3.92Å; F271-W273 HydrophobicContact CE2-CG 4.42Å; W273-C275 PolarHBondContact NE1-SG 2.91Å; W273-C275 VanDerWaalsContact NE1-SG 3.4Å; W273-Q283 HydrophobicContact CH2-CB 3.89Å; W273-Q283 HydrophobicContact CH2-CG 3.56Å; W273-Q283 HydrophobicContact CZ2-CG 4.25Å; W273-Q283 HydrophobicContact CZ3-CB 3.83Å; W273-Q283 HydrophobicContact CZ3-CG 4.05Å |
| 274 | A | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 119.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | G138 F198 C202 L213 Y214 L215 S216 F233 | G138-A274 CarbonylContact O-C 3.56Å; G138-A274 WeakPolarHBondContact O-CA 3.39Å; F198-A274 HydrophobicContact CE1-CB 4.2Å; F198-A274 HydrophobicContact CE2-CB 4.34Å; F198-A274 HydrophobicContact CZ-CB 3.63Å; C202-A274 HydrophobicContact CB-CB 4.3Å; L213-A274 HydrophobicContact CD1-CB 4.15Å; Y214-A274 PolarHBondContact O-N 2.84Å; L215-A274 HydrophobicContact CB-CB 4.47Å; L215-A274 HydrophobicContact CD1-CB 4.11Å; S216-A274 PolarHBondContact N-O 3.42Å; S216-A274 VanDerWaalsContact N-O 3.08Å; F233-A274 HydrophobicContact CE1-CB 3.95Å; F233-A274 HydrophobicContact CZ-CB 4.13Å |
| 275 | C | 98.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 146.7 | -179 | -61.5 | 0 | 0 | 0 | 0 | 110.9 | G138 H140 F198 W273 D279 G280 | G138-C275 PolarHBondContact O-N 2.74Å; H140-C275 PolarHBondContact N-O 2.78Å; F198-C275 WeakPolarHBondContact CZ-O 3.41Å; W273-C275 PolarHBondContact NE1-SG 2.91Å; W273-C275 VanDerWaalsContact NE1-SG 3.4Å; C275-D279 HydrophobicContact CB-CB 4.07Å; C275-G280 VanDerWaalsContact CB-N 3.31Å |
| 276 | K | 97 | Very high | 96.5 | Very high | 22 Ų | 22 | 33 Ų | 33 | 10% | 0.096 | 17% | 0.171 | C | C | . | . | trans | -59 | 170 | 164.5 | -68.5 | -160.6 | -56.6 | 171 | 0 | 111 | T217 D226 F229 Y278 D279 G280 | T217-K276 HydrophobicContact CG2-CG 4.47Å; D226-K276 WeakPolarHBondContact OD1-CE 3.49Å; D226-K276 IonicContact OD1-NZ 3.39Å; D226-K276 PolarHBondContact OD1-NZ 2.79Å; D226-K276 IonicContact OD2-NZ 3.52Å; D226-K276 PolarHBondContact OD2-NZ 2.82Å; F229-K276 HydrophobicContact CE1-CG 4.3Å; F229-K276 HydrophobicContact CE2-CD 4.37Å; F229-K276 HydrophobicContact CZ-CD 4.46Å; F229-K276 HydrophobicContact CZ-CG 4.39Å; K276-Y278 PolarHBondContact O-N 3.2Å; K276-D279 PolarHBondContact O-N 2.91Å; K276-G280 PolarHBondContact O-N 3.09Å | ||
| 277 | N | 94.8 | Very high | 96.5 | Very high | 4 Ų | 4 | 24.9 Ų | 24.9 | 2% | 0.021 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -58.8 | -50.3 | -165.6 | -160.2 | -12.3 | 0 | 0 | 0 | 112.9 | R139 H140 H142 G143 D144 Y146 D281 | R139-N277 PolarHBondContact NE-O 2.96Å; R139-N277 PolarHBondContact NE-OD1 3.28Å; R139-N277 PolarHBondContact NH2-OD1 2.95Å; H140-N277 VanDerWaalsContact O-CA 3.23Å; H140-N277 WeakPolarHBondContact O-CA 3.22Å; H140-N277 WeakPolarHBondContact O-CB 2.97Å; H142-N277 PolarHBondContact N-ND2 3.49Å; G143-N277 PolarHBondContact O-ND2 3.26Å; D144-N277 HydrophobicContact CB-CB 3.88Å; D144-N277 WeakPolarHBondContact OD2-CB 3.16Å; D144-N277 PolarHBondContact OD2-N 3.04Å; Y146-N277 HydrophobicContact CD2-CB 3.9Å; Y146-N277 VanDerWaalsContact CD2-ND2 3.3Å; Y146-N277 WeakPolarHBondContact CD2-ND2 3.37Å; Y146-N277 WeakPolarHBondContact CD2-OD1 3.33Å; Y146-N277 HydrophobicContact CE2-CB 4.25Å; N277-D281 PolarHBondContact O-N 2.98Å; N277-D281 VanDerWaalsContact O-N 3.11Å |
| 278 | Y | 95.2 | Very high | 96.3 | Very high | 111 Ų | 111 | 24.1 Ų | 24.1 | 44% | 0.435 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -70.4 | -46.2 | -179.6 | -178.4 | -110.7 | 0 | 0 | 0 | 113.2 | Q145 Y146 K276 G280 D281 V282 | Q145-Y278 VanDerWaalsContact CD-CD2 3.49Å; Y146-Y278 HydrophobicContact CE2-CD2 4.32Å; K276-Y278 PolarHBondContact O-N 3.2Å; Y278-G280 VanDerWaalsContact C-N 3.3Å; Y278-G280 PolarHBondContact O-N 3.21Å; Y278-D281 WeakPolarHBondContact O-CB 3.36Å; Y278-D281 PolarHBondContact O-N 2.92Å; Y278-D281 VanDerWaalsContact O-N 3.12Å; Y278-V282 HydrophobicContact CD1-CG2 4.49Å; Y278-V282 HydrophobicContact CD2-CG2 4.2Å; Y278-V282 HydrophobicContact CE1-CG2 4.06Å; Y278-V282 HydrophobicContact CE2-CG2 3.76Å; Y278-V282 PolarHBondContact O-N 2.88Å |
| 279 | D | 97.1 | Very high | 96 | Very high | 35 Ų | 35 | 25.4 Ų | 25.4 | 19% | 0.187 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -59.4 | -44.5 | 177.7 | -62.3 | -50 | 0 | 0 | 0 | 110.5 | I257 C275 K276 D281 V282 Q283 | I257-D279 HydrophobicContact CD1-CB 3.94Å; C275-D279 HydrophobicContact CB-CB 4.07Å; K276-D279 PolarHBondContact O-N 2.91Å; D279-D281 VanDerWaalsContact C-N 3.27Å; D279-D281 PolarHBondContact O-N 3.04Å; D279-V282 PolarHBondContact O-N 3.16Å; D279-Q283 WeakPolarHBondContact O-CB 3.31Å; D279-Q283 WeakPolarHBondContact O-CG 3.27Å; D279-Q283 PolarHBondContact O-N 3.4Å |
| 280 | G | 96.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -65.8 | -30.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113 | C275 K276 Y278 S284 | C275-G280 VanDerWaalsContact CB-N 3.31Å; K276-G280 PolarHBondContact O-N 3.09Å; Y278-G280 VanDerWaalsContact C-N 3.3Å; Y278-G280 PolarHBondContact O-N 3.21Å; G280-S284 WeakPolarHBondContact O-CB 3.41Å; G280-S284 PolarHBondContact O-N 2.94Å; G280-S284 PolarHBondContact O-OG 3.35Å |
| 281 | D | 92.4 | Very high | 95.7 | Very high | 35 Ų | 35 | 25.1 Ų | 25.1 | 19% | 0.187 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -64.7 | -60.8 | 172.4 | -148.8 | -8 | 0 | 0 | 0 | 110.4 | R139 Y146 N277 Y278 D279 Q283 S284 | R139-D281 IonicContact CZ-OD1 2.8Å; R139-D281 IonicContact CZ-OD2 2.75Å; R139-D281 IonicContact NH1-OD1 3.39Å; R139-D281 PolarHBondContact NH1-OD1 3.42Å; R139-D281 IonicContact NH1-OD2 3.1Å; R139-D281 PolarHBondContact NH1-OD2 2.9Å; R139-D281 IonicContact NH2-OD2 3.99Å; R139-D281 PolarHBondContact NH2-OD2 3.49Å; Y146-D281 WeakPolarHBondContact OH-CB 3.27Å; Y146-D281 PolarHBondContact OH-OD2 2.75Å; N277-D281 PolarHBondContact O-N 2.98Å; N277-D281 VanDerWaalsContact O-N 3.11Å; Y278-D281 WeakPolarHBondContact O-CB 3.36Å; Y278-D281 PolarHBondContact O-N 2.92Å; Y278-D281 VanDerWaalsContact O-N 3.12Å; D279-D281 VanDerWaalsContact C-N 3.27Å; D279-D281 PolarHBondContact O-N 3.04Å; D281-Q283 PolarHBondContact O-N 2.62Å; D281-S284 PolarHBondContact O-N 3.31Å; D281-S284 PolarHBondContact O-OG 2.96Å |
| 282 | V | 94.6 | Very high | 95.2 | Very high | 53 Ų | 53 | 24.7 Ų | 24.7 | 32% | 0.321 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -63.9 | -46.7 | -174.7 | 177.2 | 0 | 0 | 0 | 0 | 112 | Y278 D279 S284 D285 I286 | Y278-V282 HydrophobicContact CD1-CG2 4.49Å; Y278-V282 HydrophobicContact CD2-CG2 4.2Å; Y278-V282 HydrophobicContact CE1-CG2 4.06Å; Y278-V282 HydrophobicContact CE2-CG2 3.76Å; Y278-V282 PolarHBondContact O-N 2.88Å; D279-V282 PolarHBondContact O-N 3.16Å; V282-S284 VanDerWaalsContact C-N 3.3Å; V282-S284 PolarHBondContact O-N 3.23Å; V282-D285 PolarHBondContact O-N 3.48Å; V282-I286 HydrophobicContact CG1-CD1 4.17Å; V282-I286 PolarHBondContact O-N 2.87Å; V282-I286 VanDerWaalsContact O-N 3.17Å |
| 283 | Q | 96.5 | Very high | 94.7 | Very high | 20 Ų | 20 | 25.3 Ų | 25.3 | 9% | 0.093 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -70.3 | -28.8 | -175.8 | -61.6 | -57.8 | -37.3 | 0 | 0 | 112.1 | W273 D279 D281 D285 I286 V287 | W273-Q283 HydrophobicContact CH2-CB 3.89Å; W273-Q283 HydrophobicContact CH2-CG 3.56Å; W273-Q283 HydrophobicContact CZ2-CG 4.25Å; W273-Q283 HydrophobicContact CZ3-CB 3.83Å; W273-Q283 HydrophobicContact CZ3-CG 4.05Å; D279-Q283 WeakPolarHBondContact O-CB 3.31Å; D279-Q283 WeakPolarHBondContact O-CG 3.27Å; D279-Q283 PolarHBondContact O-N 3.4Å; D281-Q283 PolarHBondContact O-N 2.62Å; Q283-D285 VanDerWaalsContact C-N 3.33Å; Q283-D285 PolarHBondContact O-N 2.98Å; Q283-I286 PolarHBondContact O-N 3.12Å; Q283-V287 WeakPolarHBondContact O-CG2 3.35Å; Q283-V287 PolarHBondContact O-N 3.1Å |
| 284 | S | 95.1 | Very high | 94 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -65.4 | -37.2 | 175.1 | 72.4 | 0 | 0 | 0 | 0 | 112.9 | R116 G280 D281 V282 V287 A288 | R116-S284 VanDerWaalsContact CD-OG 3.26Å; R116-S284 WeakPolarHBondContact CD-OG 3.31Å; R116-S284 PolarHBondContact NH1-OG 3.28Å; G280-S284 WeakPolarHBondContact O-CB 3.41Å; G280-S284 PolarHBondContact O-N 2.94Å; G280-S284 PolarHBondContact O-OG 3.35Å; D281-S284 PolarHBondContact O-N 3.31Å; D281-S284 PolarHBondContact O-OG 2.96Å; V282-S284 VanDerWaalsContact C-N 3.3Å; V282-S284 PolarHBondContact O-N 3.23Å; S284-V287 PolarHBondContact O-N 2.89Å; S284-A288 WeakPolarHBondContact O-CB 3.48Å; S284-A288 PolarHBondContact O-N 2.96Å |
| 285 | D | 93 | Very high | 93.5 | Very high | 63 Ų | 63 | 28.9 Ų | 28.9 | 34% | 0.337 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -71.2 | -37.5 | 175.3 | -74.5 | 5.3 | 0 | 0 | 0 | 111.3 | R116 V282 Q283 V287 A288 Q289 | R116-D285 IonicContact NH1-OD1 2.67Å; R116-D285 PolarHBondContact NH1-OD1 3.31Å; V282-D285 PolarHBondContact O-N 3.48Å; Q283-D285 VanDerWaalsContact C-N 3.33Å; Q283-D285 PolarHBondContact O-N 2.98Å; D285-V287 VanDerWaalsContact C-N 3.34Å; D285-A288 PolarHBondContact O-N 3.24Å; D285-Q289 WeakPolarHBondContact O-CB 3.3Å; D285-Q289 PolarHBondContact O-N 3.04Å |
| 286 | I | 95.5 | Very high | 93.2 | Very high | 73 Ų | 73 | 29 Ų | 29 | 37% | 0.374 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -60.2 | -45.4 | 171.7 | -69.9 | 170.6 | 0 | 0 | 0 | 110.6 | V282 Q283 G290 | V282-I286 HydrophobicContact CG1-CD1 4.17Å; V282-I286 PolarHBondContact O-N 2.87Å; V282-I286 VanDerWaalsContact O-N 3.17Å; Q283-I286 PolarHBondContact O-N 3.12Å; I286-G290 WeakPolarHBondContact O-CA 3.41Å; I286-G290 PolarHBondContact O-N 3.37Å |
| 287 | V | 96.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -62.4 | -48.3 | 176.8 | 170.3 | 0 | 0 | 0 | 0 | 110.1 | P118 W131 I135 I137 M264 Q283 S284 D285 Q289 G290 F291 M297 | P118-V287 HydrophobicContact CG-CG1 4.2Å; W131-V287 HydrophobicContact CH2-CG2 4.26Å; I135-V287 HydrophobicContact CB-CG1 4.04Å; I135-V287 HydrophobicContact CB-CG2 4.35Å; I135-V287 HydrophobicContact CG2-CG2 4.12Å; I137-V287 HydrophobicContact CD1-CG2 3.98Å; I137-V287 HydrophobicContact CG1-CB 4.48Å; I137-V287 HydrophobicContact CG1-CG2 4.12Å; M264-V287 HydrophobicContact SD-CG2 4.19Å; Q283-V287 WeakPolarHBondContact O-CG2 3.35Å; Q283-V287 PolarHBondContact O-N 3.1Å; S284-V287 PolarHBondContact O-N 2.89Å; D285-V287 VanDerWaalsContact C-N 3.34Å; V287-Q289 PolarHBondContact O-N 2.86Å; V287-G290 PolarHBondContact O-N 3.05Å; V287-F291 HydrophobicContact CG1-CD2 3.85Å; V287-F291 HydrophobicContact CG1-CE2 3.91Å; V287-F291 VanDerWaalsContact O-CD2 3.26Å; V287-F291 WeakPolarHBondContact O-CD2 3.41Å; V287-F291 PolarHBondContact O-N 2.89Å; V287-M297 HydrophobicContact CB-CE 4.5Å; V287-M297 HydrophobicContact CG1-CE 4.03Å |
| 288 | A | 93.2 | Very high | 93.2 | Very high | 2 Ų | 2 | 28.3 Ų | 28.3 | 2% | 0.017 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -57.3 | -51.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | S284 D285 G290 F291 G292 S293 L294 M297 | S284-A288 WeakPolarHBondContact O-CB 3.48Å; S284-A288 PolarHBondContact O-N 2.96Å; D285-A288 PolarHBondContact O-N 3.24Å; A288-G290 VanDerWaalsContact C-N 3.33Å; A288-G290 PolarHBondContact O-N 3.38Å; A288-F291 PolarHBondContact O-N 3.31Å; A288-G292 PolarHBondContact O-N 3.13Å; A288-S293 CarbonylContact O-C 3.49Å; A288-S293 PolarHBondContact O-N 2.96Å; A288-L294 HydrophobicContact CB-CG 4.31Å; A288-M297 HydrophobicContact CB-CB 4.17Å; A288-M297 HydrophobicContact CB-CE 3.38Å; A288-M297 HydrophobicContact CB-CG 4.34Å |
| 289 | Q | 91.6 | Very high | 93.2 | Very high | 82 Ų | 82 | 23.1 Ų | 23.1 | 38% | 0.383 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -68.3 | -34.5 | 179.8 | -167.8 | 52.4 | 73.4 | 0 | 0 | 112 | L127 D285 V287 F291 G292 L294 | L127-Q289 HydrophobicContact CD1-CG 3.94Å; L127-Q289 WeakPolarHBondContact CD1-O 3.44Å; D285-Q289 WeakPolarHBondContact O-CB 3.3Å; D285-Q289 PolarHBondContact O-N 3.04Å; V287-Q289 PolarHBondContact O-N 2.86Å; Q289-F291 VanDerWaalsContact C-N 3.28Å; Q289-F291 PolarHBondContact O-N 3.4Å; Q289-G292 PolarHBondContact NE2-O 3.36Å; Q289-G292 WeakPolarHBondContact O-CA 3.47Å; Q289-G292 PolarHBondContact O-N 2.99Å; Q289-L294 HydrophobicContact CB-CD1 3.77Å; Q289-L294 HydrophobicContact CG-CD1 4.31Å; Q289-L294 VanDerWaalsContact OE1-CD1 3.26Å |
| 290 | G | 94.3 | Very high | 93.2 | Very high | 5 Ų | 5 | 22.1 Ų | 22.1 | 5% | 0.052 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -62.7 | -33.4 | 176 | 0 | 0 | 0 | 0 | 0 | 113.1 | L127 V128 I286 V287 A288 G292 | L127-G290 PolarHBondContact N-O 3.14Å; V128-G290 PolarHBondContact N-O 3.32Å; I286-G290 WeakPolarHBondContact O-CA 3.41Å; I286-G290 PolarHBondContact O-N 3.37Å; V287-G290 PolarHBondContact O-N 3.05Å; A288-G290 VanDerWaalsContact C-N 3.33Å; A288-G290 PolarHBondContact O-N 3.38Å; G290-G292 VanDerWaalsContact C-N 3.33Å |
| 291 | F | 93.7 | Very high | 93.1 | Very high | 10 Ų | 10 | 22.1 Ų | 22.1 | 4% | 0.044 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -7.8 | 170.3 | -80 | -75.9 | 0 | 0 | 0 | 114.3 | P118 L120 R126 W131 N133 I135 V287 A288 Q289 | P118-F291 HydrophobicContact CB-CB 3.92Å; P118-F291 HydrophobicContact CB-CD2 3.6Å; P118-F291 HydrophobicContact CB-CE2 4.29Å; P118-F291 HydrophobicContact CB-CG 3.77Å; P118-F291 HydrophobicContact CG-CD2 3.4Å; P118-F291 VanDerWaalsContact CG-CD2 3.4Å; P118-F291 HydrophobicContact CG-CE2 3.57Å; P118-F291 HydrophobicContact CG-CG 3.93Å; P118-F291 HydrophobicContact CG-CZ 4.21Å; L120-F291 HydrophobicContact CD2-CD1 3.33Å; L120-F291 HydrophobicContact CD2-CE1 3.6Å; L120-F291 HydrophobicContact CD2-CG 4.03Å; L120-F291 HydrophobicContact CD2-CZ 4.47Å; R126-F291 HydrophobicContact CG-CD1 4.33Å; W131-F291 HydrophobicContact CB-CE1 3.92Å; W131-F291 HydrophobicContact CB-CZ 3.75Å; W131-F291 HydrophobicContact CD2-CE2 4.11Å; W131-F291 HydrophobicContact CD2-CZ 4.17Å; W131-F291 AromaticContact CE3-CD2 3.63Å; W131-F291 HydrophobicContact CE3-CD2 3.63Å; W131-F291 HydrophobicContact CE3-CE1 4.35Å; W131-F291 AromaticContact CE3-CE2 3.32Å; W131-F291 HydrophobicContact CE3-CE2 3.32Å; W131-F291 HydrophobicContact CE3-CG 4.25Å; W131-F291 AromaticContact CE3-CZ 3.72Å; W131-F291 HydrophobicContact CE3-CZ 3.72Å; W131-F291 HydrophobicContact CG-CZ 4.24Å; W131-F291 AromaticContact CZ3-CD2 3.89Å; W131-F291 HydrophobicContact CZ3-CD2 3.89Å; W131-F291 AromaticContact CZ3-CE2 3.85Å; W131-F291 HydrophobicContact CZ3-CE2 3.85Å; N133-F291 VanDerWaalsContact O-CZ 3.28Å; N133-F291 WeakPolarHBondContact O-CZ 3.5Å; I135-F291 HydrophobicContact CB-CE2 4.45Å; I135-F291 HydrophobicContact CD1-CE2 4.34Å; I135-F291 HydrophobicContact CG1-CE2 4.37Å; V287-F291 HydrophobicContact CG1-CD2 3.85Å; V287-F291 HydrophobicContact CG1-CE2 3.91Å; V287-F291 VanDerWaalsContact O-CD2 3.26Å; V287-F291 WeakPolarHBondContact O-CD2 3.41Å; V287-F291 PolarHBondContact O-N 2.89Å; A288-F291 PolarHBondContact O-N 3.31Å; Q289-F291 VanDerWaalsContact C-N 3.28Å; Q289-F291 PolarHBondContact O-N 3.4Å |
| 292 | G | 89 | Confident | 93.2 | Very high | 4 Ų | 4 | 21.6 Ų | 21.6 | 4% | 0.041 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 127.2 | -25.1 | 165.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | A288 Q289 G290 | A288-G292 PolarHBondContact O-N 3.13Å; Q289-G292 PolarHBondContact NE2-O 3.36Å; Q289-G292 WeakPolarHBondContact O-CA 3.47Å; Q289-G292 PolarHBondContact O-N 2.99Å; G290-G292 VanDerWaalsContact C-N 3.33Å |
| 293 | S | 88.8 | Confident | 93 | Very high | 12 Ų | 12 | 19.2 Ų | 19.2 | 8% | 0.084 | 11% | 0.105 | C | C | . | . | trans | -160.7 | 137.7 | -179.6 | 178.5 | 0 | 0 | 0 | 0 | 112.5 | A288 G295 L296 | A288-S293 CarbonylContact O-C 3.49Å; A288-S293 PolarHBondContact O-N 2.96Å; S293-G295 PolarHBondContact O-N 3.28Å; S293-G295 PolarHBondContact OG-N 3.29Å; S293-G295 VanDerWaalsContact OG-N 3.08Å; S293-L296 PolarHBondContact O-N 3.48Å; S293-L296 VanDerWaalsContact O-N 3.14Å | ||
| 294 | L | 83.1 | Confident | 92.4 | Very high | 68 Ų | 68 | 21.4 Ų | 21.4 | 36% | 0.356 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -30.1 | 168.8 | -86 | 70.3 | 0 | 0 | 0 | 112.4 | A288 Q289 L296 | A288-L294 HydrophobicContact CB-CG 4.31Å; Q289-L294 HydrophobicContact CB-CD1 3.77Å; Q289-L294 HydrophobicContact CG-CD1 4.31Å; Q289-L294 VanDerWaalsContact OE1-CD1 3.26Å; L294-L296 PolarHBondContact O-N 3.5Å |
| 295 | G | 87.1 | Confident | 91.9 | Very high | 8 Ų | 8 | 25.5 Ų | 25.5 | 8% | 0.082 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -9.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | S293 | S293-G295 PolarHBondContact O-N 3.28Å; S293-G295 PolarHBondContact OG-N 3.29Å; S293-G295 VanDerWaalsContact OG-N 3.08Å |
| 296 | L | 93.5 | Very high | 91.4 | Very high | 2 Ų | 2 | 24.4 Ų | 24.4 | 1% | 0.01 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -107 | 55.1 | 178.8 | -65.9 | -179.4 | 0 | 0 | 0 | 110.5 | P118 I119 V124 S293 L294 I336 L382 | P118-L296 CarbonylContact C-O 3.23Å; P118-L296 WeakPolarHBondContact CA-O 3.42Å; I119-L296 HydrophobicContact CB-CB 4.17Å; I119-L296 HydrophobicContact CB-CD2 4.47Å; I119-L296 PolarHBondContact N-O 3.09Å; V124-L296 HydrophobicContact CB-CD1 4.42Å; V124-L296 HydrophobicContact CG1-CD1 4.28Å; V124-L296 HydrophobicContact CG2-CD1 4.06Å; S293-L296 PolarHBondContact O-N 3.48Å; S293-L296 VanDerWaalsContact O-N 3.14Å; L294-L296 PolarHBondContact O-N 3.5Å; L296-I336 HydrophobicContact CD2-CB 4.33Å; L296-I336 HydrophobicContact CD2-CD1 3.54Å; L296-I336 HydrophobicContact CD2-CG2 3.96Å; L296-L382 HydrophobicContact CD1-CD2 3.71Å; L296-L382 HydrophobicContact CD2-CD1 4.4Å; L296-L382 HydrophobicContact CD2-CD2 4.38Å; L296-L382 HydrophobicContact CG-CD2 3.91Å |
| 297 | M | 94.9 | Very high | 91.1 | Very high | 3 Ų | 3 | 27.9 Ų | 27.9 | 2% | 0.015 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 130.7 | -177.7 | -178.3 | 62.5 | 70.5 | 0 | 0 | 109.4 | R116 E117 P118 V287 A288 A314 | R116-M297 VanDerWaalsContact C-SD 3.53Å; R116-M297 HydrophobicContact CB-CG 4.2Å; R116-M297 HydrophobicContact CB-SD 3.76Å; R116-M297 HydrophobicContact CG-CG 4.46Å; E117-M297 VanDerWaalsContact CA-SD 3.58Å; E117-M297 PolarHBondContact N-SD 2.7Å; P118-M297 HydrophobicContact CB-CE 3.84Å; P118-M297 HydrophobicContact CB-SD 4.47Å; P118-M297 HydrophobicContact CG-CE 4.39Å; V287-M297 HydrophobicContact CB-CE 4.5Å; V287-M297 HydrophobicContact CG1-CE 4.03Å; A288-M297 HydrophobicContact CB-CB 4.17Å; A288-M297 HydrophobicContact CB-CE 3.38Å; A288-M297 HydrophobicContact CB-CG 4.34Å; M297-A314 HydrophobicContact CB-CB 3.83Å; M297-A314 HydrophobicContact CG-CB 3.79Å; M297-A314 WeakPolarHBondContact O-CB 3.5Å |
| 298 | T | 96.2 | Very high | 91.1 | Very high | 8 Ų | 8 | 28 Ų | 28 | 5% | 0.049 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 151.4 | 169.6 | 66.2 | 0 | 0 | 0 | 0 | 109.8 | R116 E117 I119 F340 | R116-T298 VanDerWaalsContact CA-O 3.27Å; R116-T298 WeakPolarHBondContact CA-O 3.36Å; E117-T298 WeakPolarHBondContact CB-OG1 3.49Å; E117-T298 PolarHBondContact N-O 3.21Å; E117-T298 PolarHBondContact N-OG1 3.34Å; E117-T298 PolarHBondContact O-N 3.22Å; E117-T298 PolarHBondContact O-OG1 2.84Å; I119-T298 HydrophobicContact CD1-CG2 3.91Å; I119-T298 HydrophobicContact CG1-CG2 3.69Å; T298-F340 HydrophobicContact CG2-CB 4.12Å; T298-F340 HydrophobicContact CG2-CD1 3.53Å; T298-F340 HydrophobicContact CG2-CE1 4.37Å; T298-F340 HydrophobicContact CG2-CG 4.23Å |
| 299 | S | 95.7 | Very high | 91.3 | Very high | 3 Ų | 3 | 28.1 Ų | 28.1 | 2% | 0.021 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 115 | 174.2 | -174.8 | 0 | 0 | 0 | 0 | 109.1 | F115 E312 | F115-S299 WeakPolarHBondContact O-CA 3.07Å; S299-E312 WeakPolarHBondContact CB-O 3.27Å; S299-E312 PolarHBondContact O-N 2.71Å |
| 300 | V | 96.2 | Very high | 91.6 | Very high | 13 Ų | 13 | 24.3 Ų | 24.3 | 8% | 0.079 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 117.7 | 179.9 | -176.4 | 0 | 0 | 0 | 0 | 109.1 | F115 V302 I309 E310 R344 | F115-V300 PolarHBondContact N-O 3.04Å; F115-V300 PolarHBondContact O-N 3.18Å; V300-V302 HydrophobicContact CG1-CG2 3.94Å; V300-I309 HydrophobicContact CG1-CB 4.14Å; V300-I309 HydrophobicContact CG1-CD1 4Å; V300-I309 HydrophobicContact CG1-CG2 4.47Å; V300-E310 CarbonylContact C-O 3.57Å; V300-E310 WeakPolarHBondContact CA-O 3.26Å; V300-R344 HydrophobicContact CG2-CB 3.91Å; V300-R344 HydrophobicContact CG2-CG 4.11Å |
| 301 | L | 95 | Very high | 91.7 | Very high | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 129.1 | 164 | 177.8 | 145.3 | 0 | 0 | 0 | 109.6 | R107 L110 T113 V114 I309 E310 | R107-L301 HydrophobicContact CB-CD1 3.84Å; R107-L301 HydrophobicContact CG-CD1 3.5Å; R107-L301 VanDerWaalsContact CG-CD1 3.5Å; L110-L301 HydrophobicContact CB-CD2 3.81Å; L110-L301 HydrophobicContact CD1-CD2 3.73Å; L110-L301 HydrophobicContact CG-CD2 4.43Å; T113-L301 CarbonylContact O-C 3.45Å; T113-L301 VanDerWaalsContact O-CA 3.29Å; T113-L301 WeakPolarHBondContact O-CA 3.36Å; V114-L301 HydrophobicContact CG2-CB 4.34Å; V114-L301 HydrophobicContact CG2-CD1 4.2Å; L301-I309 CarbonylContact O-C 3.51Å; L301-I309 WeakPolarHBondContact O-CA 3.47Å; L301-I309 WeakPolarHBondContact O-CB 3.13Å; L301-E310 HydrophobicContact CB-CB 4.31Å; L301-E310 PolarHBondContact N-O 2.76Å; L301-E310 PolarHBondContact O-N 3.14Å |
| 302 | V | 93.8 | Very high | 91.8 | Very high | 24 Ų | 24 | 23.9 Ų | 23.9 | 15% | 0.145 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 123.2 | 176 | -177.1 | 0 | 0 | 0 | 0 | 109.3 | G112 T113 F115 V300 I309 | G112-V302 CarbonylContact C-O 3.58Å; G112-V302 WeakPolarHBondContact CA-O 3.45Å; T113-V302 PolarHBondContact N-O 2.94Å; T113-V302 PolarHBondContact O-N 3.27Å; F115-V302 HydrophobicContact CD2-CB 4.13Å; F115-V302 HydrophobicContact CD2-CG2 3.8Å; F115-V302 HydrophobicContact CE2-CB 3.98Å; F115-V302 HydrophobicContact CE2-CG2 4.1Å; V300-V302 HydrophobicContact CG1-CG2 3.94Å; V302-I309 HydrophobicContact CG1-CG2 4.4Å; V302-I309 HydrophobicContact CG2-CG2 4.15Å |
| 303 | C | 91.2 | Very high | 91.8 | Very high | 3 Ų | 3 | 23.8 Ų | 23.8 | 2% | 0.02 | 13% | 0.134 | C | C | . | . | trans | -72.3 | 157.9 | 176.4 | -65 | 0 | 0 | 0 | 0 | 111.9 | L110 D305 G306 T308 | L110-C303 PolarHBondContact O-SG 3.13Å; C303-D305 WeakPolarHBondContact CB-OD1 3.27Å; C303-D305 PolarHBondContact O-N 3.21Å; C303-D305 VanDerWaalsContact O-N 3.15Å; C303-G306 PolarHBondContact O-N 2.86Å; C303-T308 HydrophobicContact CB-CG2 4.49Å; C303-T308 WeakPolarHBondContact CB-O 3.28Å; C303-T308 PolarHBondContact N-O 3.47Å | ||
| 304 | P | 83.6 | Confident | 91.5 | Very high | 66 Ų | 66 | 23.9 Ų | 23.9 | 43% | 0.429 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -19.1 | 178.4 | -24.3 | 35.4 | 0 | 0 | 0 | 114.5 | G111 G306 | G111-P304 WeakPolarHBondContact O-CD 3.41Å; P304-G306 PolarHBondContact O-N 2.9Å |
| 305 | D | 84.8 | Confident | 91.5 | Very high | 85 Ų | 85 | 22.6 Ų | 22.6 | 46% | 0.455 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -12 | 174.9 | 67.9 | 5.1 | 0 | 0 | 0 | 113.4 | C303 R307 T308 | C303-D305 WeakPolarHBondContact CB-OD1 3.27Å; C303-D305 PolarHBondContact O-N 3.21Å; C303-D305 VanDerWaalsContact O-N 3.15Å; D305-R307 PolarHBondContact O-N 2.79Å; D305-R307 VanDerWaalsContact O-N 3.12Å; D305-R307 PolarHBondContact OD1-N 3.28Å; D305-T308 PolarHBondContact OD1-N 2.8Å; D305-T308 WeakPolarHBondContact OD2-CB 3.49Å; D305-T308 PolarHBondContact OD2-OG1 3.08Å |
| 306 | G | 81.9 | Confident | 91.5 | Very high | 41 Ų | 41 | 24.6 Ų | 24.6 | 42% | 0.423 | 15% | 0.148 | S | C | . | . | S | Bend | trans | 65.9 | 5.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | C303 P304 | C303-G306 PolarHBondContact O-N 2.86Å; P304-G306 PolarHBondContact O-N 2.9Å |
| 307 | R | 90.2 | Very high | 91.5 | Very high | 146 Ų | 146 | 25.2 Ų | 25.2 | 55% | 0.551 | 15% | 0.152 | S | C | * | . | S | Bend | trans | -115.5 | -36 | -175.3 | -67.5 | -177.1 | 69.3 | 169.7 | 3.6 | 112.1 | D305 H348 | D305-R307 PolarHBondContact O-N 2.79Å; D305-R307 VanDerWaalsContact O-N 3.12Å; D305-R307 PolarHBondContact OD1-N 3.28Å; R307-H348 PolarHBondContact O-NE2 3.22Å |
| 308 | T | 95.7 | Very high | 91.3 | Very high | 1 Ų | 1 | 27.1 Ų | 27.1 | 1% | 0.006 | 16% | 0.164 | C | C | . | . | trans | -91.3 | 127.1 | -178.9 | -56.9 | 0 | 0 | 0 | 0 | 110 | I71 L72 N75 L110 C303 D305 | I71-T308 HydrophobicContact CG2-CG2 3.71Å; L72-T308 HydrophobicContact CD2-CG2 4.42Å; N75-T308 CarbonylContact O-C 3.59Å; N75-T308 VanDerWaalsContact O-CA 3.3Å; N75-T308 WeakPolarHBondContact O-CA 3.41Å; N75-T308 PolarHBondContact OD1-OG1 3.36Å; L110-T308 HydrophobicContact CD2-CG2 4.32Å; C303-T308 HydrophobicContact CB-CG2 4.49Å; C303-T308 WeakPolarHBondContact CB-O 3.28Å; C303-T308 PolarHBondContact N-O 3.47Å; D305-T308 PolarHBondContact OD1-N 2.8Å; D305-T308 WeakPolarHBondContact OD2-CB 3.49Å; D305-T308 PolarHBondContact OD2-OG1 3.08Å | ||
| 309 | I | 96.7 | Very high | 91.2 | Very high | 6 Ų | 6 | 28.8 Ų | 28.8 | 3% | 0.031 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 157.5 | 172.9 | 74.9 | 160.1 | 0 | 0 | 0 | 112.1 | N75 G77 V300 L301 V302 H348 | N75-I309 PolarHBondContact O-N 3.14Å; G77-I309 PolarHBondContact N-O 3.4Å; V300-I309 HydrophobicContact CG1-CB 4.14Å; V300-I309 HydrophobicContact CG1-CD1 4Å; V300-I309 HydrophobicContact CG1-CG2 4.47Å; L301-I309 CarbonylContact O-C 3.51Å; L301-I309 WeakPolarHBondContact O-CA 3.47Å; L301-I309 WeakPolarHBondContact O-CB 3.13Å; V302-I309 HydrophobicContact CG1-CG2 4.4Å; V302-I309 HydrophobicContact CG2-CG2 4.15Å; I309-H348 HydrophobicContact CD1-CB 3.3Å; I309-H348 HydrophobicContact CG1-CB 3.99Å |
| 310 | E | 97.8 | Very high | 91.2 | Very high | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 131.1 | 163 | 179.7 | -83.3 | 121.9 | 0 | 0 | 108.3 | I71 G77 K79 I106 L110 V300 L301 E312 | I71-E310 HydrophobicContact CD1-CB 4.42Å; I71-E310 HydrophobicContact CD1-CG 4.18Å; G77-E310 CarbonylContact O-C 3.56Å; G77-E310 WeakPolarHBondContact O-CA 3.35Å; K79-E310 HydrophobicContact CB-CG 4.37Å; K79-E310 WeakPolarHBondContact CB-OE1 3.17Å; I106-E310 HydrophobicContact CG2-CG 4.32Å; L110-E310 HydrophobicContact CD1-CB 3.78Å; V300-E310 CarbonylContact C-O 3.57Å; V300-E310 WeakPolarHBondContact CA-O 3.26Å; L301-E310 HydrophobicContact CB-CB 4.31Å; L301-E310 PolarHBondContact N-O 2.76Å; L301-E310 PolarHBondContact O-N 3.14Å; E310-E312 VanDerWaalsContact OE1-CB 3.26Å; E310-E312 WeakPolarHBondContact OE1-CB 3.48Å; E310-E312 PolarHBondContact OE1-N 3.12Å |
| 311 | S | 97.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 125.9 | -178.9 | 51.1 | 0 | 0 | 0 | 0 | 110 | G77 K79 A341 G345 | G77-S311 PolarHBondContact O-N 3.39Å; G77-S311 PolarHBondContact O-OG 3.21Å; G77-S311 VanDerWaalsContact O-OG 3.1Å; K79-S311 PolarHBondContact N-O 3.34Å; S311-A341 WeakPolarHBondContact CB-O 3.39Å; S311-A341 PolarHBondContact OG-O 3.11Å; S311-G345 WeakPolarHBondContact OG-CA 3.15Å; S311-G345 PolarHBondContact OG-N 2.81Å |
| 312 | E | 95.1 | Very high | 91.3 | Very high | 6 Ų | 6 | 42.5 Ų | 42.5 | 3% | 0.028 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 161.7 | -179.1 | 61.5 | 177 | 171.1 | 0 | 0 | 112.6 | K79 N103 R107 S299 E310 | K79-E312 HydrophobicContact CB-CB 4.18Å; K79-E312 HydrophobicContact CG-CB 4.43Å; K79-E312 IonicContact NZ-OE2 3.73Å; K79-E312 PolarHBondContact NZ-OE2 3.35Å; K79-E312 WeakPolarHBondContact O-CA 3.13Å; N103-E312 PolarHBondContact ND2-OE1 2.86Å; N103-E312 PolarHBondContact ND2-OE2 3.44Å; N103-E312 PolarHBondContact OD1-OE2 2.82Å; R107-E312 IonicContact CZ-OE1 2.82Å; R107-E312 IonicContact NE-OE1 3.59Å; R107-E312 IonicContact NH2-OE1 2.8Å; R107-E312 PolarHBondContact NH2-OE1 2.87Å; S299-E312 WeakPolarHBondContact CB-O 3.27Å; S299-E312 PolarHBondContact O-N 2.71Å; E310-E312 VanDerWaalsContact OE1-CB 3.26Å; E310-E312 WeakPolarHBondContact OE1-CB 3.48Å; E310-E312 PolarHBondContact OE1-N 3.12Å |
| 313 | A | 87.9 | Confident | 91.4 | Very high | 3 Ų | 3 | 45.8 Ų | 45.8 | 3% | 0.025 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 135.5 | 166.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | H315 A337 | A313-H315 PolarHBondContact O-N 2.9Å; A313-H315 VanDerWaalsContact O-N 3.16Å; A313-A337 HydrophobicContact CB-CB 4.28Å |
| 314 | A | 84.2 | Confident | 91.7 | Very high | 14 Ų | 14 | 48.8 Ų | 48.8 | 12% | 0.116 | 25% | 0.25 | C | C | . | . | S | Bend | trans | -74.3 | 0.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | M297 | M297-A314 HydrophobicContact CB-CB 3.83Å; M297-A314 HydrophobicContact CG-CB 3.79Å; M297-A314 WeakPolarHBondContact O-CB 3.5Å |
| 315 | H | 82.7 | Confident | 92.3 | Very high | 41 Ų | 41 | 50.8 Ų | 50.8 | 19% | 0.19 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -118.4 | 167.9 | -176.6 | 61.7 | 58.2 | 0 | 0 | 0 | 112.6 | A313 | A313-H315 PolarHBondContact O-N 2.9Å; A313-H315 VanDerWaalsContact O-N 3.16Å |
| 316 | G | 87.3 | Confident | 92.9 | Very high | 49 Ų | 49 | 51.5 Ų | 51.5 | 51% | 0.505 | 25% | 0.25 | S | S | . | . | trans | -74.1 | -167.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | T26 V318 | T26-G316 WeakPolarHBondContact CG2-O 3.41Å; G316-V318 PolarHBondContact O-N 2.98Å | ||
| 317 | T | 92.3 | Very high | 93.6 | Very high | 15 Ų | 15 | 52 Ų | 52 | 9% | 0.092 | 25% | 0.251 | C | S | . | . | trans | -82.8 | -7.1 | -169.4 | 55.9 | 0 | 0 | 0 | 0 | 115.8 | D23 E24 M25 T26 A81 I83 | D23-T317 HydrophobicContact CB-CG2 3.99Å; E24-T317 VanDerWaalsContact OE2-CB 3.29Å; E24-T317 WeakPolarHBondContact OE2-CB 3.15Å; E24-T317 PolarHBondContact OE2-OG1 2.67Å; M25-T317 PolarHBondContact N-O 3.19Å; T26-T317 PolarHBondContact N-O 2.73Å; T26-T317 WeakPolarHBondContact OG1-CA 3.38Å; A81-T317 HydrophobicContact CB-CG2 4.07Å; I83-T317 HydrophobicContact CG1-CG2 4Å | ||
| 318 | V | 92.4 | Very high | 93.9 | Very high | 44 Ų | 44 | 48.5 Ų | 48.5 | 27% | 0.267 | 26% | 0.26 | S | S | . | . | trans | 58.6 | 54.1 | 175.9 | -159 | 0 | 0 | 0 | 0 | 113.5 | M25 T26 G316 R320 H321 Y322 T333 | M25-V318 HydrophobicContact CB-CB 4.14Å; T26-V318 HydrophobicContact CG2-CG2 4.17Å; G316-V318 PolarHBondContact O-N 2.98Å; V318-R320 VanDerWaalsContact C-N 3.32Å; V318-R320 PolarHBondContact O-N 3.34Å; V318-H321 HydrophobicContact CG1-CB 3.85Å; V318-H321 PolarHBondContact O-N 3.18Å; V318-Y322 PolarHBondContact O-N 3.5Å; V318-T333 HydrophobicContact CB-CG2 4.29Å; V318-T333 HydrophobicContact CG1-CG2 4.06Å; V318-T333 HydrophobicContact CG2-CG2 4Å | ||
| 319 | T | 93.9 | Very high | 93.9 | Very high | 43 Ų | 43 | 54.3 Ų | 54.3 | 26% | 0.264 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -48.6 | -44.5 | -179.5 | -48.5 | 0 | 0 | 0 | 0 | 114.8 | E24 R89 H321 Y322 R323 | E24-T319 VanDerWaalsContact CD-OG1 3.26Å; E24-T319 VanDerWaalsContact OE1-CG2 3.3Å; E24-T319 WeakPolarHBondContact OE1-CG2 3.3Å; E24-T319 PolarHBondContact OE1-OG1 3.49Å; E24-T319 VanDerWaalsContact OE1-OG1 3.13Å; E24-T319 VanDerWaalsContact OE2-CA 3.22Å; E24-T319 WeakPolarHBondContact OE2-CA 3.38Å; E24-T319 WeakPolarHBondContact OE2-CB 3.49Å; E24-T319 PolarHBondContact OE2-N 3.01Å; E24-T319 PolarHBondContact OE2-OG1 3.18Å; R89-T319 PolarHBondContact NH2-OG1 2.57Å; T319-H321 PolarHBondContact O-N 3.18Å; T319-Y322 VanDerWaalsContact O-CB 3.32Å; T319-Y322 WeakPolarHBondContact O-CB 3.22Å; T319-Y322 PolarHBondContact O-N 3.37Å; T319-Y322 VanDerWaalsContact O-N 3.1Å; T319-R323 PolarHBondContact O-N 2.89Å |
| 320 | R | 94.6 | Very high | 93.8 | Very high | 192 Ų | 192 | 61.9 Ų | 61.9 | 73% | 0.725 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -58.4 | -48.6 | -176.8 | -179.7 | -176.8 | 172.2 | -167.4 | -1.5 | 111.2 | V318 Y322 R323 E324 | V318-R320 VanDerWaalsContact C-N 3.32Å; V318-R320 PolarHBondContact O-N 3.34Å; R320-Y322 VanDerWaalsContact C-N 3.28Å; R320-Y322 PolarHBondContact O-N 3.4Å; R320-R323 PolarHBondContact O-N 3.47Å; R320-E324 WeakPolarHBondContact O-CG 3.07Å; R320-E324 PolarHBondContact O-N 2.78Å |
| 321 | H | 95.8 | Very high | 93.7 | Very high | 49 Ų | 49 | 62.6 Ų | 62.6 | 23% | 0.227 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -67.6 | -32.5 | 178.3 | -69.6 | -175.3 | 0 | 0 | 0 | 111.3 | M25 V318 T319 R323 E324 Y325 T331 T333 | M25-H321 HydrophobicContact CB-CB 4.31Å; M25-H321 HydrophobicContact CG-CB 3.85Å; M25-H321 HydrophobicContact SD-CB 4.24Å; V318-H321 HydrophobicContact CG1-CB 3.85Å; V318-H321 PolarHBondContact O-N 3.18Å; T319-H321 PolarHBondContact O-N 3.18Å; H321-R323 VanDerWaalsContact C-N 3.31Å; H321-R323 PolarHBondContact O-N 2.85Å; H321-E324 WeakPolarHBondContact O-CB 3.3Å; H321-E324 PolarHBondContact O-N 2.96Å; H321-Y325 WeakPolarHBondContact O-CB 3.46Å; H321-Y325 PolarHBondContact O-N 3.28Å; H321-T331 HydrophobicContact CB-CG2 3.86Å; H321-T331 WeakPolarHBondContact O-CG2 2.94Å; H321-T333 PolarHBondContact ND1-OG1 3.45Å |
| 322 | Y | 97.1 | Very high | 93.6 | Very high | 63 Ų | 63 | 63.2 Ų | 63.2 | 25% | 0.247 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60.2 | -41.1 | 174.3 | -171.6 | -122 | 0 | 0 | 0 | 112.3 | E24 V28 V318 T319 R320 E324 Y325 Q326 | E24-Y322 HydrophobicContact CB-CD1 3.79Å; E24-Y322 HydrophobicContact CB-CD2 4.17Å; E24-Y322 HydrophobicContact CB-CE1 4.42Å; E24-Y322 HydrophobicContact CB-CG 3.65Å; E24-Y322 HydrophobicContact CG-CD1 3.78Å; E24-Y322 HydrophobicContact CG-CE1 4.26Å; E24-Y322 HydrophobicContact CG-CG 4.18Å; V28-Y322 HydrophobicContact CG2-CD2 4.46Å; V28-Y322 HydrophobicContact CG2-CE2 4.28Å; V318-Y322 PolarHBondContact O-N 3.5Å; T319-Y322 VanDerWaalsContact O-CB 3.32Å; T319-Y322 WeakPolarHBondContact O-CB 3.22Å; T319-Y322 PolarHBondContact O-N 3.37Å; T319-Y322 VanDerWaalsContact O-N 3.1Å; R320-Y322 VanDerWaalsContact C-N 3.28Å; R320-Y322 PolarHBondContact O-N 3.4Å; Y322-E324 PolarHBondContact O-N 2.88Å; Y322-Y325 HydrophobicContact CD2-CD1 4.36Å; Y322-Y325 HydrophobicContact CE2-CD1 4.38Å; Y322-Y325 PolarHBondContact O-N 3.38Å; Y322-Q326 HydrophobicContact CD1-CG 4.34Å; Y322-Q326 HydrophobicContact CD2-CG 4.48Å; Y322-Q326 HydrophobicContact CE1-CG 4.05Å; Y322-Q326 VanDerWaalsContact CE1-NE2 3.32Å; Y322-Q326 HydrophobicContact CE2-CG 4.19Å; Y322-Q326 WeakPolarHBondContact O-CB 3.2Å; Y322-Q326 VanDerWaalsContact O-CG 3.29Å; Y322-Q326 WeakPolarHBondContact O-CG 3.23Å; Y322-Q326 PolarHBondContact O-N 2.92Å; Y322-Q326 PolarHBondContact OH-NE2 2.7Å |
| 323 | R | 96.7 | Very high | 93.6 | Very high | 94 Ų | 94 | 63.2 Ų | 63.2 | 36% | 0.355 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -63.9 | -39.6 | 175 | -59 | -50.7 | -176.4 | -170.4 | -0.5 | 112.9 | E92 T319 R320 H321 Q326 A327 | E92-R323 VanDerWaalsContact CD-NH2 3.28Å; E92-R323 IonicContact OE1-CZ 3.39Å; E92-R323 IonicContact OE1-NH1 2.74Å; E92-R323 IonicContact OE1-NH2 3.28Å; E92-R323 PolarHBondContact OE1-NH2 3.11Å; E92-R323 IonicContact OE2-NH2 3.64Å; E92-R323 PolarHBondContact OE2-NH2 2.78Å; T319-R323 PolarHBondContact O-N 2.89Å; R320-R323 PolarHBondContact O-N 3.47Å; H321-R323 VanDerWaalsContact C-N 3.31Å; H321-R323 PolarHBondContact O-N 2.85Å; R323-Q326 VanDerWaalsContact NH1-OE1 3.08Å; R323-A327 WeakPolarHBondContact O-CB 3.47Å; R323-A327 PolarHBondContact O-N 3Å; R323-A327 VanDerWaalsContact O-N 3.12Å |
| 324 | E | 97.5 | Very high | 93.9 | Very high | 65 Ų | 65 | 63.5 Ų | 63.5 | 30% | 0.304 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -63.7 | -45.1 | 175.1 | -61.9 | -62.4 | 108 | 0 | 0 | 111.2 | R320 H321 Y322 A327 G328 R329 T331 | R320-E324 WeakPolarHBondContact O-CG 3.07Å; R320-E324 PolarHBondContact O-N 2.78Å; H321-E324 WeakPolarHBondContact O-CB 3.3Å; H321-E324 PolarHBondContact O-N 2.96Å; Y322-E324 PolarHBondContact O-N 2.88Å; E324-A327 CarbonylContact O-C 3.56Å; E324-A327 PolarHBondContact O-N 2.88Å; E324-A327 VanDerWaalsContact O-N 3.13Å; E324-G328 PolarHBondContact O-N 2.96Å; E324-R329 HydrophobicContact CB-CB 4.37Å; E324-R329 WeakPolarHBondContact O-CB 3.18Å; E324-R329 PolarHBondContact O-N 3.17Å; E324-R329 IonicContact OE1-CZ 2.65Å; E324-R329 IonicContact OE1-NE 3.71Å; E324-R329 IonicContact OE1-NH2 3.88Å; E324-R329 PolarHBondContact OE1-NH2 2.73Å; E324-R329 IonicContact OE2-CZ 2.7Å; E324-R329 IonicContact OE2-NE 2.67Å; E324-R329 PolarHBondContact OE2-NE 3.45Å; E324-R329 IonicContact OE2-NH2 3.65Å; E324-R329 PolarHBondContact OE2-NH2 2.88Å; E324-T331 HydrophobicContact CB-CG2 3.87Å |
| 325 | Y | 96.5 | Very high | 94.5 | Very high | 108 Ų | 108 | 62.9 Ų | 62.9 | 42% | 0.424 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -61 | -46.1 | 176 | 172.6 | -97.6 | 0 | 0 | 0 | 112.1 | M25 V28 H321 Y322 A327 G328 | M25-Y325 HydrophobicContact CE-CD2 4.44Å; M25-Y325 HydrophobicContact SD-CG 4.17Å; V28-Y325 HydrophobicContact CG1-CD2 4.36Å; V28-Y325 HydrophobicContact CG1-CE1 4.17Å; V28-Y325 HydrophobicContact CG1-CE2 3.82Å; V28-Y325 HydrophobicContact CG2-CD1 3.96Å; V28-Y325 HydrophobicContact CG2-CE1 3.61Å; H321-Y325 WeakPolarHBondContact O-CB 3.46Å; H321-Y325 PolarHBondContact O-N 3.28Å; Y322-Y325 HydrophobicContact CD2-CD1 4.36Å; Y322-Y325 HydrophobicContact CE2-CD1 4.38Å; Y322-Y325 PolarHBondContact O-N 3.38Å; Y325-A327 PolarHBondContact O-N 2.8Å; Y325-G328 WeakPolarHBondContact O-CA 3.2Å; Y325-G328 PolarHBondContact O-N 3.37Å |
| 326 | Q | 96.8 | Very high | 95.2 | Very high | 101 Ų | 101 | 61 Ų | 61 | 47% | 0.472 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -59.3 | -29.9 | 174.9 | -74.3 | -176.5 | -51.9 | 0 | 0 | 112.4 | Y322 R323 G328 | Y322-Q326 HydrophobicContact CD1-CG 4.34Å; Y322-Q326 HydrophobicContact CD2-CG 4.48Å; Y322-Q326 HydrophobicContact CE1-CG 4.05Å; Y322-Q326 VanDerWaalsContact CE1-NE2 3.32Å; Y322-Q326 HydrophobicContact CE2-CG 4.19Å; Y322-Q326 WeakPolarHBondContact O-CB 3.2Å; Y322-Q326 VanDerWaalsContact O-CG 3.29Å; Y322-Q326 WeakPolarHBondContact O-CG 3.23Å; Y322-Q326 PolarHBondContact O-N 2.92Å; Y322-Q326 PolarHBondContact OH-NE2 2.7Å; R323-Q326 VanDerWaalsContact NH1-OE1 3.08Å; Q326-G328 VanDerWaalsContact C-N 3.25Å; Q326-G328 PolarHBondContact O-N 2.82Å |
| 327 | A | 97.1 | Very high | 95.6 | Very high | 52 Ų | 52 | 58.7 Ų | 58.7 | 43% | 0.43 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | 10.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | R323 E324 Y325 R329 | R323-A327 WeakPolarHBondContact O-CB 3.47Å; R323-A327 PolarHBondContact O-N 3Å; R323-A327 VanDerWaalsContact O-N 3.12Å; E324-A327 CarbonylContact O-C 3.56Å; E324-A327 PolarHBondContact O-N 2.88Å; E324-A327 VanDerWaalsContact O-N 3.13Å; Y325-A327 PolarHBondContact O-N 2.8Å; A327-R329 VanDerWaalsContact C-N 3.29Å; A327-R329 VanDerWaalsContact CB-NH1 3.26Å; A327-R329 PolarHBondContact O-N 3.34Å |
| 328 | G | 96.4 | Very high | 95.8 | Very high | 72 Ų | 72 | 58 Ų | 58 | 74% | 0.742 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.9 | 11.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | E324 Y325 Q326 | E324-G328 PolarHBondContact O-N 2.96Å; Y325-G328 WeakPolarHBondContact O-CA 3.2Å; Y325-G328 PolarHBondContact O-N 3.37Å; Q326-G328 VanDerWaalsContact C-N 3.25Å; Q326-G328 PolarHBondContact O-N 2.82Å |
| 329 | R | 96.5 | Very high | 96.1 | Very high | 123 Ų | 123 | 56 Ų | 56 | 46% | 0.464 | 27% | 0.27 | S | S | . | . | trans | -90 | 144.1 | 179.5 | -64.7 | -172.2 | -71.7 | -84.8 | 2.4 | 110.9 | E324 A327 | E324-R329 HydrophobicContact CB-CB 4.37Å; E324-R329 WeakPolarHBondContact O-CB 3.18Å; E324-R329 PolarHBondContact O-N 3.17Å; E324-R329 IonicContact OE1-CZ 2.65Å; E324-R329 IonicContact OE1-NE 3.71Å; E324-R329 IonicContact OE1-NH2 3.88Å; E324-R329 PolarHBondContact OE1-NH2 2.73Å; E324-R329 IonicContact OE2-CZ 2.7Å; E324-R329 IonicContact OE2-NE 2.67Å; E324-R329 PolarHBondContact OE2-NE 3.45Å; E324-R329 IonicContact OE2-NH2 3.65Å; E324-R329 PolarHBondContact OE2-NH2 2.88Å; A327-R329 VanDerWaalsContact C-N 3.29Å; A327-R329 VanDerWaalsContact CB-NH1 3.26Å; A327-R329 PolarHBondContact O-N 3.34Å | ||
| 330 | K | 94.2 | Very high | 96.3 | Very high | 164 Ų | 164 | 54.2 Ų | 54.2 | 71% | 0.713 | 26% | 0.259 | S | S | * | . | trans | -69.3 | 142.2 | 174.3 | -63 | -169.8 | -179.4 | -175.2 | 0 | 110.4 | T400 | K330-T400 HydrophobicContact CB-CG2 3.89Å; K330-T400 HydrophobicContact CD-CG2 3.98Å | ||
| 331 | T | 95.6 | Very high | 96.5 | Very high | 16 Ų | 16 | 45.2 Ų | 45.2 | 10% | 0.098 | 23% | 0.226 | C | C | . | . | trans | -118.5 | 158.9 | 179.7 | 58.4 | 0 | 0 | 0 | 0 | 111.5 | M25 H321 E324 T400 T401 | M25-T331 VanDerWaalsContact CE-OG1 3.27Å; M25-T331 WeakPolarHBondContact CE-OG1 3.35Å; M25-T331 HydrophobicContact SD-CG2 4.43Å; H321-T331 HydrophobicContact CB-CG2 3.86Å; H321-T331 WeakPolarHBondContact O-CG2 2.94Å; E324-T331 HydrophobicContact CB-CG2 3.87Å; T331-T400 CarbonylContact O-C 3.49Å; T331-T400 WeakPolarHBondContact O-CA 3.29Å; T331-T400 WeakPolarHBondContact O-CB 3.17Å; T331-T401 PolarHBondContact O-N 3.17Å; T331-T401 PolarHBondContact O-OG1 3.42Å | ||
| 332 | S | 95.2 | Very high | 96.6 | Very high | 13 Ų | 13 | 42.9 Ų | 42.9 | 9% | 0.091 | 22% | 0.215 | C | C | . | . | trans | -123.1 | 60.7 | 172.2 | -169.4 | 0 | 0 | 0 | 0 | 110.3 | T379 K380 L399 | S332-T379 WeakPolarHBondContact OG-CA 3.39Å; S332-T379 WeakPolarHBondContact OG-CB 3.43Å; S332-K380 PolarHBondContact OG-N 3.46Å; S332-L399 WeakPolarHBondContact CB-O 3.36Å; S332-L399 PolarHBondContact OG-O 3.16Å | ||
| 333 | T | 95.2 | Very high | 96.7 | Very high | 6 Ų | 6 | 39.9 Ų | 39.9 | 4% | 0.037 | 20% | 0.203 | C | C | . | . | trans | -76.9 | 131.4 | 167.6 | -44.2 | 0 | 0 | 0 | 0 | 109.8 | M25 I29 V318 H321 P335 T401 | M25-T333 HydrophobicContact CG-CG2 4.39Å; M25-T333 WeakPolarHBondContact CG-OG1 3.32Å; I29-T333 VanDerWaalsContact CD1-CB 3.42Å; I29-T333 HydrophobicContact CD1-CG2 3.33Å; V318-T333 HydrophobicContact CB-CG2 4.29Å; V318-T333 HydrophobicContact CG1-CG2 4.06Å; V318-T333 HydrophobicContact CG2-CG2 4Å; H321-T333 PolarHBondContact ND1-OG1 3.45Å; T333-P335 WeakPolarHBondContact O-CD 3.31Å; T333-T401 WeakPolarHBondContact CA-OG1 3.29Å; T333-T401 WeakPolarHBondContact CB-OG1 3.35Å; T333-T401 PolarHBondContact N-OG1 3.15Å; T333-T401 WeakPolarHBondContact O-CB 3.46Å; T333-T401 VanDerWaalsContact O-CG2 3.31Å; T333-T401 WeakPolarHBondContact O-CG2 3.31Å; T333-T401 PolarHBondContact O-OG1 3.04Å | ||
| 334 | N | 94.8 | Very high | 96.7 | Very high | 10 Ų | 10 | 38.9 Ų | 38.9 | 5% | 0.053 | 20% | 0.199 | C | C | . | . | trans | -72.6 | 115.1 | 175.9 | -170.9 | -22.7 | 0 | 0 | 0 | 111.4 | I336 T379 D381 | N334-I336 VanDerWaalsContact OD1-CB 3.26Å; N334-I336 WeakPolarHBondContact OD1-CB 3.11Å; N334-I336 WeakPolarHBondContact OD1-CD1 3.16Å; N334-I336 WeakPolarHBondContact OD1-CG1 3.37Å; N334-I336 PolarHBondContact OD1-N 3.49Å; N334-T379 WeakPolarHBondContact CB-OG1 3.39Å; N334-D381 WeakPolarHBondContact CB-OD1 3.47Å; N334-D381 WeakPolarHBondContact CB-OD2 3.03Å; N334-D381 PolarHBondContact ND2-OD2 3.15Å | ||
| 335 | P | 96.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.185 | C | C | . | . | trans | -91.1 | 0.3 | -178 | 37.1 | -34.1 | 0 | 0 | 0 | 113.4 | I29 I33 T333 A337 S338 I339 T401 Y404 M405 | I29-P335 HydrophobicContact CG2-CB 3.58Å; I33-P335 HydrophobicContact CD1-CB 4.3Å; T333-P335 WeakPolarHBondContact O-CD 3.31Å; P335-A337 PolarHBondContact O-N 3Å; P335-S338 PolarHBondContact O-N 2.73Å; P335-S338 VanDerWaalsContact O-N 3.12Å; P335-I339 HydrophobicContact CB-CD1 4.24Å; P335-I339 HydrophobicContact CG-CD1 4.14Å; P335-I339 WeakPolarHBondContact O-CG1 3.46Å; P335-I339 PolarHBondContact O-N 3.3Å; P335-T401 HydrophobicContact CB-CG2 4.49Å; P335-T401 HydrophobicContact CG-CG2 4.46Å; P335-Y404 HydrophobicContact CG-CD1 3.46Å; P335-Y404 VanDerWaalsContact CG-CD1 3.46Å; P335-Y404 HydrophobicContact CG-CE1 3.73Å; P335-M405 HydrophobicContact CB-CG 4.36Å; P335-M405 HydrophobicContact CB-SD 4.45Å; P335-M405 HydrophobicContact CG-CG 3.91Å | ||
| 336 | I | 97 | Very high | 96.9 | Very high | 2 Ų | 2 | 30.6 Ų | 30.6 | 1% | 0.01 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -59 | -49.4 | -169.3 | -66.8 | 168.6 | 0 | 0 | 0 | 111.7 | I119 L296 N334 S338 I339 F340 V373 L382 Y404 | I119-I336 HydrophobicContact CD1-CG2 3.68Å; I119-I336 HydrophobicContact CG2-CG2 4.45Å; L296-I336 HydrophobicContact CD2-CB 4.33Å; L296-I336 HydrophobicContact CD2-CD1 3.54Å; L296-I336 HydrophobicContact CD2-CG2 3.96Å; N334-I336 VanDerWaalsContact OD1-CB 3.26Å; N334-I336 WeakPolarHBondContact OD1-CB 3.11Å; N334-I336 WeakPolarHBondContact OD1-CD1 3.16Å; N334-I336 WeakPolarHBondContact OD1-CG1 3.37Å; N334-I336 PolarHBondContact OD1-N 3.49Å; I336-S338 VanDerWaalsContact C-N 3.27Å; I336-S338 PolarHBondContact O-N 2.86Å; I336-I339 PolarHBondContact O-N 2.84Å; I336-F340 HydrophobicContact CG2-CD2 3.85Å; I336-F340 HydrophobicContact CG2-CE2 3.87Å; I336-F340 VanDerWaalsContact O-CD2 3.28Å; I336-F340 WeakPolarHBondContact O-CD2 3.44Å; I336-F340 PolarHBondContact O-N 3.36Å; I336-V373 HydrophobicContact CD1-CG2 3.87Å; I336-L382 HydrophobicContact CD1-CD1 3.85Å; I336-Y404 HydrophobicContact CD1-CE1 4.29Å; I336-Y404 VanDerWaalsContact CD1-OH 3.22Å; I336-Y404 WeakPolarHBondContact CD1-OH 3.35Å; I336-Y404 HydrophobicContact CG1-CE1 3.73Å; I336-Y404 WeakPolarHBondContact CG1-OH 3.42Å |
| 337 | A | 95.3 | Very high | 96.9 | Very high | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.008 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -60.8 | -36.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | A313 P335 F340 A341 | A313-A337 HydrophobicContact CB-CB 4.28Å; P335-A337 PolarHBondContact O-N 3Å; A337-F340 PolarHBondContact O-N 3.42Å; A337-A341 PolarHBondContact O-N 2.77Å |
| 338 | S | 96.9 | Very high | 97 | Very high | 1 Ų | 1 | 26.8 Ų | 26.8 | 1% | 0.007 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -70.4 | -37.9 | 175.1 | -60.3 | 0 | 0 | 0 | 0 | 112.7 | I33 P335 I336 F340 A341 W342 | I33-S338 VanDerWaalsContact CD1-CB 3.46Å; P335-S338 PolarHBondContact O-N 2.73Å; P335-S338 VanDerWaalsContact O-N 3.12Å; I336-S338 VanDerWaalsContact C-N 3.27Å; I336-S338 PolarHBondContact O-N 2.86Å; S338-F340 VanDerWaalsContact C-N 3.31Å; S338-A341 WeakPolarHBondContact O-CB 3.49Å; S338-A341 PolarHBondContact O-N 3.4Å; S338-W342 PolarHBondContact O-N 3.06Å |
| 339 | I | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -63 | -43.6 | 172.3 | -65.7 | 165.9 | 0 | 0 | 0 | 109.5 | I33 L37 P335 I336 A341 W342 T343 L365 | I33-I339 HydrophobicContact CD1-CG1 3.68Å; I33-I339 HydrophobicContact CG1-CG1 3.77Å; I33-I339 HydrophobicContact CG2-CG1 4.15Å; L37-I339 HydrophobicContact CD1-CD1 3.77Å; L37-I339 HydrophobicContact CD1-CG1 4.04Å; P335-I339 HydrophobicContact CB-CD1 4.24Å; P335-I339 HydrophobicContact CG-CD1 4.14Å; P335-I339 WeakPolarHBondContact O-CG1 3.46Å; P335-I339 PolarHBondContact O-N 3.3Å; I336-I339 PolarHBondContact O-N 2.84Å; I339-A341 VanDerWaalsContact C-N 3.33Å; I339-A341 PolarHBondContact O-N 2.81Å; I339-W342 WeakPolarHBondContact O-CB 3.48Å; I339-W342 PolarHBondContact O-N 3.4Å; I339-T343 HydrophobicContact CG2-CG2 4.43Å; I339-T343 PolarHBondContact O-N 2.77Å; I339-L365 HydrophobicContact CG2-CD1 3.88Å; I339-L365 HydrophobicContact CG2-CD2 3.95Å; I339-L365 HydrophobicContact CG2-CG 3.7Å |
| 340 | F | 98.1 | Very high | 97.1 | Very high | 7 Ų | 7 | 18.2 Ų | 18.2 | 3% | 0.031 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -68.4 | -30.3 | 178.1 | -85.7 | -117.6 | 0 | 0 | 0 | 112.7 | I119 T298 I336 A337 S338 W342 T343 R344 E366 C369 | I119-F340 HydrophobicContact CD1-CB 4.04Å; I119-F340 HydrophobicContact CD1-CD1 3.54Å; I119-F340 HydrophobicContact CD1-CD2 3.83Å; I119-F340 HydrophobicContact CD1-CE1 3.81Å; I119-F340 HydrophobicContact CD1-CE2 4.1Å; I119-F340 HydrophobicContact CD1-CG 3.52Å; I119-F340 HydrophobicContact CD1-CZ 4.07Å; I119-F340 HydrophobicContact CG1-CD1 3.88Å; I119-F340 HydrophobicContact CG1-CE1 3.82Å; I119-F340 HydrophobicContact CG1-CG 4.37Å; I119-F340 HydrophobicContact CG1-CZ 4.29Å; I119-F340 HydrophobicContact CG2-CE1 3.97Å; I119-F340 HydrophobicContact CG2-CE2 4.31Å; I119-F340 HydrophobicContact CG2-CZ 3.7Å; T298-F340 HydrophobicContact CG2-CB 4.12Å; T298-F340 HydrophobicContact CG2-CD1 3.53Å; T298-F340 HydrophobicContact CG2-CE1 4.37Å; T298-F340 HydrophobicContact CG2-CG 4.23Å; I336-F340 HydrophobicContact CG2-CD2 3.85Å; I336-F340 HydrophobicContact CG2-CE2 3.87Å; I336-F340 VanDerWaalsContact O-CD2 3.28Å; I336-F340 WeakPolarHBondContact O-CD2 3.44Å; I336-F340 PolarHBondContact O-N 3.36Å; A337-F340 PolarHBondContact O-N 3.42Å; S338-F340 VanDerWaalsContact C-N 3.31Å; F340-W342 VanDerWaalsContact C-N 3.34Å; F340-T343 VanDerWaalsContact CA-OG1 3.31Å; F340-T343 WeakPolarHBondContact CA-OG1 3.38Å; F340-T343 PolarHBondContact O-N 2.89Å; F340-T343 PolarHBondContact O-OG1 2.87Å; F340-R344 VanDerWaalsContact O-CB 3.26Å; F340-R344 WeakPolarHBondContact O-CB 3.34Å; F340-R344 WeakPolarHBondContact O-CG 3.31Å; F340-R344 PolarHBondContact O-N 2.95Å; F340-E366 HydrophobicContact CD1-CG 3.85Å; F340-E366 HydrophobicContact CD2-CG 4.23Å; F340-E366 HydrophobicContact CE1-CB 3.84Å; F340-E366 HydrophobicContact CE1-CG 3.55Å; F340-E366 HydrophobicContact CE2-CB 4.01Å; F340-E366 HydrophobicContact CE2-CG 3.93Å; F340-E366 HydrophobicContact CG-CG 4.22Å; F340-E366 HydrophobicContact CZ-CB 3.5Å; F340-E366 HydrophobicContact CZ-CG 3.6Å; F340-C369 HydrophobicContact CE2-CB 3.89Å |
| 341 | A | 97.9 | Very high | 97.2 | Very high | 3 Ų | 3 | 16.9 Ų | 16.9 | 3% | 0.025 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -58.3 | -49 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | W30 S311 A337 S338 I339 G345 | W30-A341 HydrophobicContact CH2-CB 4.08Å; W30-A341 HydrophobicContact CZ3-CB 4.12Å; S311-A341 WeakPolarHBondContact CB-O 3.39Å; S311-A341 PolarHBondContact OG-O 3.11Å; A337-A341 PolarHBondContact O-N 2.77Å; S338-A341 WeakPolarHBondContact O-CB 3.49Å; S338-A341 PolarHBondContact O-N 3.4Å; I339-A341 VanDerWaalsContact C-N 3.33Å; I339-A341 PolarHBondContact O-N 2.81Å; A341-G345 PolarHBondContact O-N 2.83Å; A341-G345 VanDerWaalsContact O-N 3.13Å |
| 342 | W | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -57.7 | -52 | 173.7 | -84.6 | 100.3 | 0 | 0 | 0 | 112.9 | I17 E19 W30 I33 K34 I38 L44 I78 S338 I339 F340 R344 G345 L346 | I17-W342 HydrophobicContact CD1-CZ3 4.23Å; E19-W342 HydrophobicContact CG-CH2 4.15Å; E19-W342 HydrophobicContact CG-CZ2 4.25Å; E19-W342 WeakPolarHBondContact OE1-CZ2 3.46Å; W30-W342 AromaticContact CD2-NE1 3.49Å; W30-W342 AromaticContact CE2-CE2 3.7Å; W30-W342 AromaticContact CE2-CZ2 3.79Å; W30-W342 AromaticContact CE2-NE1 3.25Å; W30-W342 AromaticContact CE3-NE1 3.7Å; W30-W342 AromaticContact CH2-CD1 3.71Å; W30-W342 HydrophobicContact CH2-CG 4.42Å; W30-W342 AromaticContact CH2-NE1 3.55Å; W30-W342 AromaticContact CZ2-CD1 3.94Å; W30-W342 HydrophobicContact CZ2-CD2 4.4Å; W30-W342 AromaticContact CZ2-CE2 3.62Å; W30-W342 AromaticContact CZ2-CZ2 3.92Å; W30-W342 HydrophobicContact CZ2-CZ2 3.92Å; W30-W342 AromaticContact CZ2-NE1 3.3Å; W30-W342 VanDerWaalsContact CZ2-NE1 3.3Å; W30-W342 AromaticContact CZ3-CD1 3.76Å; W30-W342 AromaticContact CZ3-NE1 3.73Å; W30-W342 AromaticContact NE1-CE2 3.98Å; W30-W342 AromaticContact NE1-CZ2 3.6Å; W30-W342 AromaticContact NE1-NE1 3.83Å; I33-W342 HydrophobicContact CG2-CG 4.28Å; K34-W342 HydrophobicContact CB-CZ2 4.29Å; K34-W342 HydrophobicContact CD-CH2 4.19Å; K34-W342 HydrophobicContact CD-CZ2 4.09Å; K34-W342 HydrophobicContact CG-CH2 4.44Å; K34-W342 HydrophobicContact CG-CZ2 4.28Å; I38-W342 HydrophobicContact CD1-CB 4.06Å; I38-W342 HydrophobicContact CD1-CD2 4.5Å; I38-W342 HydrophobicContact CD1-CG 4.32Å; I38-W342 HydrophobicContact CG1-CD2 4.14Å; I38-W342 HydrophobicContact CG1-CE3 4.28Å; I38-W342 HydrophobicContact CG1-CG 4.28Å; I38-W342 HydrophobicContact CG2-CE3 4.36Å; I38-W342 HydrophobicContact CG2-CZ3 4.44Å; L44-W342 HydrophobicContact CD2-CZ3 3.93Å; I78-W342 HydrophobicContact CD1-CE3 3.77Å; I78-W342 HydrophobicContact CD1-CZ3 4.06Å; I78-W342 HydrophobicContact CG2-CD2 3.98Å; I78-W342 HydrophobicContact CG2-CE3 4.12Å; I78-W342 HydrophobicContact CG2-CG 4.18Å; S338-W342 PolarHBondContact O-N 3.06Å; I339-W342 WeakPolarHBondContact O-CB 3.48Å; I339-W342 PolarHBondContact O-N 3.4Å; F340-W342 VanDerWaalsContact C-N 3.34Å; W342-R344 PolarHBondContact O-N 3.24Å; W342-G345 PolarHBondContact O-N 2.75Å; W342-L346 HydrophobicContact CE3-CD1 4.12Å; W342-L346 HydrophobicContact CE3-CG 4.43Å; W342-L346 WeakPolarHBondContact O-CB 3.47Å; W342-L346 VanDerWaalsContact O-CG 3.25Å; W342-L346 WeakPolarHBondContact O-CG 3.45Å; W342-L346 PolarHBondContact O-N 3.43Å |
| 343 | T | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -66 | -36.7 | -176.3 | 58.9 | 0 | 0 | 0 | 0 | 112.5 | I339 F340 L346 D347 C362 L365 E366 | I339-T343 HydrophobicContact CG2-CG2 4.43Å; I339-T343 PolarHBondContact O-N 2.77Å; F340-T343 VanDerWaalsContact CA-OG1 3.31Å; F340-T343 WeakPolarHBondContact CA-OG1 3.38Å; F340-T343 PolarHBondContact O-N 2.89Å; F340-T343 PolarHBondContact O-OG1 2.87Å; T343-L346 PolarHBondContact O-N 3.02Å; T343-D347 WeakPolarHBondContact O-CB 3.37Å; T343-D347 PolarHBondContact O-N 3.4Å; T343-C362 HydrophobicContact CG2-CB 4.41Å; T343-L365 HydrophobicContact CG2-CB 3.97Å; T343-L365 HydrophobicContact CG2-CD2 3.66Å; T343-L365 HydrophobicContact CG2-CG 3.78Å; T343-E366 WeakPolarHBondContact CB-OE1 3.41Å; T343-E366 HydrophobicContact CG2-CG 4.01Å; T343-E366 VanDerWaalsContact OG1-CG 3.28Å; T343-E366 WeakPolarHBondContact OG1-CG 3.48Å; T343-E366 PolarHBondContact OG1-OE1 2.78Å |
| 344 | R | 97.9 | Very high | 97.5 | Very high | 72 Ų | 72 | 26.1 Ų | 26.1 | 27% | 0.272 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -68.2 | -41.3 | 178.4 | -67.2 | -66.5 | 179.9 | -133.7 | -16.5 | 112.2 | V300 F340 W342 H348 E366 | V300-R344 HydrophobicContact CG2-CB 3.91Å; V300-R344 HydrophobicContact CG2-CG 4.11Å; F340-R344 VanDerWaalsContact O-CB 3.26Å; F340-R344 WeakPolarHBondContact O-CB 3.34Å; F340-R344 WeakPolarHBondContact O-CG 3.31Å; F340-R344 PolarHBondContact O-N 2.95Å; W342-R344 PolarHBondContact O-N 3.24Å; R344-H348 PolarHBondContact O-N 2.73Å; R344-H348 VanDerWaalsContact O-N 3.16Å; R344-E366 VanDerWaalsContact CZ-CD 3.46Å; R344-E366 IonicContact CZ-OE1 3.46Å; R344-E366 IonicContact CZ-OE2 2.7Å; R344-E366 IonicContact NE-OE1 3.64Å; R344-E366 PolarHBondContact NE-OE1 3.02Å; R344-E366 IonicContact NH1-OE1 3.58Å; R344-E366 PolarHBondContact NH1-OE1 2.87Å; R344-E366 IonicContact NH1-OE2 3.24Å; R344-E366 PolarHBondContact NH1-OE2 3.14Å; R344-E366 VanDerWaalsContact NH1-OE2 3.08Å; R344-E366 VanDerWaalsContact NH2-CD 3.27Å; R344-E366 IonicContact NH2-OE1 3.5Å; R344-E366 PolarHBondContact NH2-OE1 3.03Å; R344-E366 IonicContact NH2-OE2 2.73Å; R344-E366 PolarHBondContact NH2-OE2 3.44Å |
| 345 | G | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -62.9 | -47 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | V76 S311 A341 W342 H348 R349 | V76-G345 WeakPolarHBondContact CG1-O 3.36Å; S311-G345 WeakPolarHBondContact OG-CA 3.15Å; S311-G345 PolarHBondContact OG-N 2.81Å; A341-G345 PolarHBondContact O-N 2.83Å; A341-G345 VanDerWaalsContact O-N 3.13Å; W342-G345 PolarHBondContact O-N 2.75Å; G345-H348 PolarHBondContact O-N 2.99Å; G345-R349 PolarHBondContact O-N 2.77Å |
| 346 | L | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -68.8 | -36.9 | 179.9 | -70.1 | 171.8 | 0 | 0 | 0 | 113.1 | I38 I42 L44 I78 W342 T343 H348 R349 A350 L358 C362 | I38-L346 HydrophobicContact CD1-CD1 4.09Å; I38-L346 HydrophobicContact CG2-CD1 4.25Å; I42-L346 HydrophobicContact CD1-CD1 3.89Å; L44-L346 HydrophobicContact CD1-CD2 4.07Å; L44-L346 HydrophobicContact CD2-CD2 3.8Å; I78-L346 HydrophobicContact CD1-CD2 4.34Å; I78-L346 HydrophobicContact CD1-CG 4.04Å; W342-L346 HydrophobicContact CE3-CD1 4.12Å; W342-L346 HydrophobicContact CE3-CG 4.43Å; W342-L346 WeakPolarHBondContact O-CB 3.47Å; W342-L346 VanDerWaalsContact O-CG 3.25Å; W342-L346 WeakPolarHBondContact O-CG 3.45Å; W342-L346 PolarHBondContact O-N 3.43Å; T343-L346 PolarHBondContact O-N 3.02Å; L346-H348 VanDerWaalsContact C-N 3.33Å; L346-R349 WeakPolarHBondContact O-CB 3.46Å; L346-R349 PolarHBondContact O-N 3.47Å; L346-A350 WeakPolarHBondContact O-CB 3.48Å; L346-A350 PolarHBondContact O-N 3.46Å; L346-L358 HydrophobicContact CB-CD1 4.33Å; L346-L358 WeakPolarHBondContact O-CD2 3.33Å; L346-C362 WeakPolarHBondContact CB-SG 3.36Å |
| 347 | D | 98.2 | Very high | 97.7 | Very high | 50 Ų | 50 | 36.7 Ų | 36.7 | 27% | 0.267 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -67.2 | -36.6 | 175.8 | -173.5 | 57.3 | 0 | 0 | 0 | 111.4 | T343 A350 K351 S359 C362 | T343-D347 WeakPolarHBondContact O-CB 3.37Å; T343-D347 PolarHBondContact O-N 3.4Å; D347-A350 VanDerWaalsContact O-CB 3.31Å; D347-A350 WeakPolarHBondContact O-CB 3.39Å; D347-A350 PolarHBondContact O-N 2.89Å; D347-K351 PolarHBondContact O-N 2.78Å; D347-S359 WeakPolarHBondContact OD1-CA 3.38Å; D347-S359 VanDerWaalsContact OD1-CB 3.27Å; D347-S359 WeakPolarHBondContact OD1-CB 3.39Å; D347-S359 PolarHBondContact OD1-OG 2.88Å; D347-C362 HydrophobicContact CB-CB 3.97Å |
| 348 | H | 97.6 | Very high | 97.8 | Very high | 23 Ų | 23 | 36.7 Ų | 36.7 | 11% | 0.106 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -69.1 | -37.3 | 172.1 | -168.5 | 78.2 | 0 | 0 | 0 | 112.3 | R307 I309 R344 G345 L346 A350 K351 L352 | R307-H348 PolarHBondContact O-NE2 3.22Å; I309-H348 HydrophobicContact CD1-CB 3.3Å; I309-H348 HydrophobicContact CG1-CB 3.99Å; R344-H348 PolarHBondContact O-N 2.73Å; R344-H348 VanDerWaalsContact O-N 3.16Å; G345-H348 PolarHBondContact O-N 2.99Å; L346-H348 VanDerWaalsContact C-N 3.33Å; H348-A350 VanDerWaalsContact C-N 3.31Å; H348-K351 WeakPolarHBondContact O-CB 3.33Å; H348-K351 PolarHBondContact O-N 3.35Å; H348-L352 WeakPolarHBondContact O-CG 3.29Å; H348-L352 PolarHBondContact O-N 2.93Å |
| 349 | R | 98.3 | Very high | 97.9 | Very high | 13 Ų | 13 | 38.8 Ų | 38.8 | 5% | 0.049 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59 | -45.5 | 170 | -176 | 67.7 | -81.4 | 150.1 | 140.5 | 111.1 | V13 I17 H74 V76 G345 L346 K351 L352 D353 L358 | V13-R349 HydrophobicContact CG1-CG 3.68Å; I17-R349 HydrophobicContact CG2-CB 4.05Å; I17-R349 HydrophobicContact CG2-CG 3.88Å; H74-R349 PolarHBondContact O-NH2 3.14Å; V76-R349 HydrophobicContact CG2-CB 4.15Å; G345-R349 PolarHBondContact O-N 2.77Å; L346-R349 WeakPolarHBondContact O-CB 3.46Å; L346-R349 PolarHBondContact O-N 3.47Å; R349-K351 VanDerWaalsContact C-N 3.31Å; R349-K351 PolarHBondContact O-N 2.96Å; R349-L352 VanDerWaalsContact NH1-CB 3.34Å; R349-L352 PolarHBondContact O-N 2.92Å; R349-L352 VanDerWaalsContact O-N 3.13Å; R349-D353 WeakPolarHBondContact CD-OD2 3.5Å; R349-D353 WeakPolarHBondContact CG-OD2 3.44Å; R349-D353 IonicContact CZ-OD1 3.39Å; R349-D353 IonicContact CZ-OD2 3.6Å; R349-D353 VanDerWaalsContact NE-CG 3.25Å; R349-D353 IonicContact NE-OD1 3.71Å; R349-D353 PolarHBondContact NE-OD1 2.98Å; R349-D353 IonicContact NE-OD2 2.86Å; R349-D353 PolarHBondContact NE-OD2 3.46Å; R349-D353 IonicContact NH1-OD1 3.71Å; R349-D353 PolarHBondContact NH1-OD1 3.48Å; R349-D353 IonicContact NH1-OD2 2.84Å; R349-D353 WeakPolarHBondContact O-CB 3.31Å; R349-D353 PolarHBondContact O-N 3.25Å; R349-L358 HydrophobicContact CB-CD2 4.47Å; R349-L358 HydrophobicContact CG-CD2 4.48Å |
| 350 | A | 98.2 | Very high | 97.9 | Very high | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.008 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -56.7 | -44.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L346 D347 H348 D353 D354 N355 L358 | L346-A350 WeakPolarHBondContact O-CB 3.48Å; L346-A350 PolarHBondContact O-N 3.46Å; D347-A350 VanDerWaalsContact O-CB 3.31Å; D347-A350 WeakPolarHBondContact O-CB 3.39Å; D347-A350 PolarHBondContact O-N 2.89Å; H348-A350 VanDerWaalsContact C-N 3.31Å; A350-D353 PolarHBondContact O-N 3.04Å; A350-D354 WeakPolarHBondContact O-CA 3.3Å; A350-D354 PolarHBondContact O-N 3.36Å; A350-N355 HydrophobicContact CB-CB 4.46Å; A350-N355 WeakPolarHBondContact CB-O 3.35Å; A350-N355 PolarHBondContact O-N 3.24Å; A350-L358 HydrophobicContact CB-CB 3.79Å; A350-L358 HydrophobicContact CB-CD2 3.82Å; A350-L358 HydrophobicContact CB-CG 3.84Å |
| 351 | K | 96.6 | Very high | 97.9 | Very high | 137 Ų | 137 | 44.9 Ų | 44.9 | 60% | 0.596 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -61.5 | -43.4 | 175.5 | 179.8 | -175.3 | 175.3 | -172.6 | 0 | 112.5 | D347 H348 R349 D353 | D347-K351 PolarHBondContact O-N 2.78Å; H348-K351 WeakPolarHBondContact O-CB 3.33Å; H348-K351 PolarHBondContact O-N 3.35Å; R349-K351 VanDerWaalsContact C-N 3.31Å; R349-K351 PolarHBondContact O-N 2.96Å; K351-D353 VanDerWaalsContact C-N 3.3Å |
| 352 | L | 97.3 | Very high | 97.9 | Very high | 50 Ų | 50 | 44.8 Ų | 44.8 | 26% | 0.262 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -71.1 | -27.2 | -179 | -70.7 | 175.9 | 0 | 0 | 0 | 112.9 | N75 V76 H348 R349 | N75-L352 HydrophobicContact CB-CD1 3.84Å; V76-L352 HydrophobicContact CG2-CD1 4.2Å; H348-L352 WeakPolarHBondContact O-CG 3.29Å; H348-L352 PolarHBondContact O-N 2.93Å; R349-L352 VanDerWaalsContact NH1-CB 3.34Å; R349-L352 PolarHBondContact O-N 2.92Å; R349-L352 VanDerWaalsContact O-N 3.13Å |
| 353 | D | 97.3 | Very high | 97.9 | Very high | 31 Ų | 31 | 49.9 Ų | 49.9 | 17% | 0.166 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -99.8 | 1.6 | -178.8 | -62.6 | -18.1 | 0 | 0 | 0 | 113.5 | N15 R349 A350 K351 N355 | N15-D353 PolarHBondContact ND2-OD1 3.47Å; R349-D353 WeakPolarHBondContact CD-OD2 3.5Å; R349-D353 WeakPolarHBondContact CG-OD2 3.44Å; R349-D353 IonicContact CZ-OD1 3.39Å; R349-D353 IonicContact CZ-OD2 3.6Å; R349-D353 VanDerWaalsContact NE-CG 3.25Å; R349-D353 IonicContact NE-OD1 3.71Å; R349-D353 PolarHBondContact NE-OD1 2.98Å; R349-D353 IonicContact NE-OD2 2.86Å; R349-D353 PolarHBondContact NE-OD2 3.46Å; R349-D353 IonicContact NH1-OD1 3.71Å; R349-D353 PolarHBondContact NH1-OD1 3.48Å; R349-D353 IonicContact NH1-OD2 2.84Å; R349-D353 WeakPolarHBondContact O-CB 3.31Å; R349-D353 PolarHBondContact O-N 3.25Å; A350-D353 PolarHBondContact O-N 3.04Å; K351-D353 VanDerWaalsContact C-N 3.3Å; D353-N355 VanDerWaalsContact C-N 3.29Å; D353-N355 HydrophobicContact CB-CB 4.39Å; D353-N355 PolarHBondContact O-N 3.01Å |
| 354 | D | 97.7 | Very high | 97.9 | Very high | 148 Ų | 148 | 51 Ų | 51 | 79% | 0.791 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.9 | 47 | -172 | -161.1 | 27.4 | 0 | 0 | 0 | 112.6 | A350 P356 | A350-D354 WeakPolarHBondContact O-CA 3.3Å; A350-D354 PolarHBondContact O-N 3.36Å; D354-P356 WeakPolarHBondContact O-CD 3.38Å |
| 355 | N | 97.8 | Very high | 97.9 | Very high | 24 Ų | 24 | 47.6 Ų | 47.6 | 13% | 0.128 | 23% | 0.234 | C | C | . | . | trans | -105.9 | 85.4 | -176.4 | -172.2 | -23.1 | 0 | 0 | 0 | 111.4 | E12 A350 D353 E357 L358 S359 | E12-N355 PolarHBondContact O-ND2 3.41Å; A350-N355 HydrophobicContact CB-CB 4.46Å; A350-N355 WeakPolarHBondContact CB-O 3.35Å; A350-N355 PolarHBondContact O-N 3.24Å; D353-N355 VanDerWaalsContact C-N 3.29Å; D353-N355 HydrophobicContact CB-CB 4.39Å; D353-N355 PolarHBondContact O-N 3.01Å; N355-E357 PolarHBondContact O-N 3.31Å; N355-E357 PolarHBondContact OD1-N 2.82Å; N355-L358 HydrophobicContact CB-CB 4.18Å; N355-L358 PolarHBondContact O-N 3.37Å; N355-L358 PolarHBondContact OD1-N 3.17Å; N355-S359 PolarHBondContact O-N 3.38Å | ||
| 356 | P | 97.5 | Very high | 97.9 | Very high | 86 Ų | 86 | 48 Ų | 48 | 56% | 0.558 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -66.6 | -23.9 | -177.1 | 26.8 | -36.2 | 0 | 0 | 0 | 113.7 | D354 R360 | D354-P356 WeakPolarHBondContact O-CD 3.38Å; P356-R360 VanDerWaalsContact O-CB 3.28Å; P356-R360 WeakPolarHBondContact O-CB 3.29Å; P356-R360 PolarHBondContact O-N 3.07Å |
| 357 | E | 96.8 | Very high | 97.9 | Very high | 124 Ų | 124 | 50.1 Ų | 50.1 | 58% | 0.579 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -68.3 | -45.3 | 176.5 | -64.1 | -175.3 | 169.3 | 0 | 0 | 110.8 | I11 N355 R360 F361 | I11-E357 HydrophobicContact CG1-CB 4.46Å; I11-E357 HydrophobicContact CG2-CB 4.12Å; N355-E357 PolarHBondContact O-N 3.31Å; N355-E357 PolarHBondContact OD1-N 2.82Å; E357-R360 PolarHBondContact O-N 3.33Å; E357-F361 WeakPolarHBondContact O-CB 3.46Å; E357-F361 PolarHBondContact O-N 3.12Å |
| 358 | L | 98.1 | Very high | 97.9 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.7 | -43.9 | 176 | -177.1 | 62.9 | 0 | 0 | 0 | 111.9 | I11 V13 I42 L346 R349 A350 N355 R360 F361 C362 | I11-L358 HydrophobicContact CG2-CB 4.04Å; I11-L358 HydrophobicContact CG2-CD1 4.49Å; V13-L358 HydrophobicContact CG1-CD2 4.07Å; V13-L358 HydrophobicContact CG2-CD1 4.12Å; V13-L358 HydrophobicContact CG2-CD2 3.78Å; I42-L358 HydrophobicContact CD1-CD1 3.6Å; I42-L358 HydrophobicContact CG1-CD1 4.19Å; I42-L358 HydrophobicContact CG2-CD1 4.31Å; L346-L358 HydrophobicContact CB-CD1 4.33Å; L346-L358 WeakPolarHBondContact O-CD2 3.33Å; R349-L358 HydrophobicContact CB-CD2 4.47Å; R349-L358 HydrophobicContact CG-CD2 4.48Å; A350-L358 HydrophobicContact CB-CB 3.79Å; A350-L358 HydrophobicContact CB-CD2 3.82Å; A350-L358 HydrophobicContact CB-CG 3.84Å; N355-L358 HydrophobicContact CB-CB 4.18Å; N355-L358 PolarHBondContact O-N 3.37Å; N355-L358 PolarHBondContact OD1-N 3.17Å; L358-R360 VanDerWaalsContact C-N 3.33Å; L358-R360 PolarHBondContact O-N 2.82Å; L358-F361 WeakPolarHBondContact O-CB 3.49Å; L358-F361 PolarHBondContact O-N 3.15Å; L358-C362 PolarHBondContact O-N 2.7Å; L358-C362 PolarHBondContact O-SG 3.15Å |
| 359 | S | 98.1 | Very high | 97.9 | Very high | 45 Ų | 45 | 46.6 Ų | 46.6 | 32% | 0.315 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -61.3 | -43.5 | 177.4 | -179.1 | 0 | 0 | 0 | 0 | 111.5 | D347 N355 F361 C362 K363 | D347-S359 WeakPolarHBondContact OD1-CA 3.38Å; D347-S359 VanDerWaalsContact OD1-CB 3.27Å; D347-S359 WeakPolarHBondContact OD1-CB 3.39Å; D347-S359 PolarHBondContact OD1-OG 2.88Å; N355-S359 PolarHBondContact O-N 3.38Å; S359-F361 PolarHBondContact O-N 3.47Å; S359-C362 PolarHBondContact O-N 3.2Å; S359-K363 PolarHBondContact O-N 3.26Å |
| 360 | R | 97.6 | Very high | 97.9 | Very high | 129 Ų | 129 | 47.5 Ų | 47.5 | 49% | 0.487 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -63 | -42.8 | 175.9 | -170.3 | -171.2 | -56.1 | -163.5 | 0.6 | 112.3 | P356 E357 L358 C362 K363 H364 | P356-R360 VanDerWaalsContact O-CB 3.28Å; P356-R360 WeakPolarHBondContact O-CB 3.29Å; P356-R360 PolarHBondContact O-N 3.07Å; E357-R360 PolarHBondContact O-N 3.33Å; L358-R360 VanDerWaalsContact C-N 3.33Å; L358-R360 PolarHBondContact O-N 2.82Å; R360-C362 VanDerWaalsContact C-N 3.35Å; R360-K363 PolarHBondContact O-N 2.85Å; R360-H364 PolarHBondContact O-N 2.94Å |
| 361 | F | 98.2 | Very high | 97.9 | Very high | 6 Ų | 6 | 50.9 Ų | 50.9 | 3% | 0.026 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58.1 | -47.1 | 174.6 | 171.1 | -87.1 | 0 | 0 | 0 | 111.7 | I11 L37 Y41 I42 E357 L358 S359 K363 H364 L365 L412 I416 | I11-F361 HydrophobicContact CD1-CB 3.5Å; I11-F361 VanDerWaalsContact CD1-CB 3.5Å; I11-F361 HydrophobicContact CD1-CD2 4.04Å; I11-F361 HydrophobicContact CD1-CG 3.9Å; L37-F361 VanDerWaalsContact O-CZ 3.31Å; L37-F361 WeakPolarHBondContact O-CZ 3.41Å; Y41-F361 VanDerWaalsContact CB-CE2 3.41Å; Y41-F361 AromaticContact CD2-CE2 3.83Å; Y41-F361 HydrophobicContact CD2-CE2 3.83Å; Y41-F361 HydrophobicContact CD2-CZ 4.05Å; Y41-F361 AromaticContact CG-CE2 3.7Å; Y41-F361 HydrophobicContact CG-CE2 3.7Å; Y41-F361 HydrophobicContact CG-CZ 4.3Å; I42-F361 HydrophobicContact CD1-CD1 3.5Å; I42-F361 VanDerWaalsContact CD1-CD1 3.5Å; I42-F361 HydrophobicContact CD1-CE1 3.32Å; I42-F361 HydrophobicContact CD1-CG 4.29Å; I42-F361 HydrophobicContact CD1-CZ 4Å; I42-F361 HydrophobicContact CG1-CD1 4.2Å; I42-F361 HydrophobicContact CG1-CE1 4.1Å; I42-F361 HydrophobicContact CG1-CZ 4.35Å; E357-F361 WeakPolarHBondContact O-CB 3.46Å; E357-F361 PolarHBondContact O-N 3.12Å; L358-F361 WeakPolarHBondContact O-CB 3.49Å; L358-F361 PolarHBondContact O-N 3.15Å; S359-F361 PolarHBondContact O-N 3.47Å; F361-K363 VanDerWaalsContact C-N 3.29Å; F361-K363 PolarHBondContact O-N 2.82Å; F361-H364 WeakPolarHBondContact O-CB 3.24Å; F361-H364 PolarHBondContact O-N 2.75Å; F361-H364 VanDerWaalsContact O-N 3.15Å; F361-L365 HydrophobicContact CE1-CB 4.49Å; F361-L365 HydrophobicContact CE1-CD2 4.05Å; F361-L365 HydrophobicContact CZ-CD2 4.23Å; F361-L365 PolarHBondContact O-N 2.88Å; F361-L412 HydrophobicContact CD2-CD1 4.44Å; F361-L412 HydrophobicContact CE2-CD1 4.1Å; F361-L412 HydrophobicContact CE2-CD2 3.91Å; F361-L412 HydrophobicContact CE2-CG 4.48Å; F361-L412 HydrophobicContact CZ-CD2 4.1Å; F361-I416 HydrophobicContact CD2-CD1 4.24Å; F361-I416 HydrophobicContact CE2-CD1 4.17Å |
| 362 | C | 98.5 | Very high | 98 | Very high | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.007 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -57.9 | -45.4 | 177.7 | -66.4 | 0 | 0 | 0 | 0 | 110.8 | T343 L346 D347 L358 S359 R360 H364 L365 E366 | T343-C362 HydrophobicContact CG2-CB 4.41Å; L346-C362 WeakPolarHBondContact CB-SG 3.36Å; D347-C362 HydrophobicContact CB-CB 3.97Å; L358-C362 PolarHBondContact O-N 2.7Å; L358-C362 PolarHBondContact O-SG 3.15Å; S359-C362 PolarHBondContact O-N 3.2Å; R360-C362 VanDerWaalsContact C-N 3.35Å; C362-H364 PolarHBondContact O-N 2.75Å; C362-L365 PolarHBondContact O-N 3.5Å; C362-E366 WeakPolarHBondContact O-CG 3.35Å; C362-E366 PolarHBondContact O-N 2.84Å |
| 363 | K | 98.1 | Very high | 97.9 | Very high | 108 Ų | 108 | 42 Ų | 42 | 47% | 0.47 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -61.1 | -43.1 | 176.1 | -177.3 | 53.9 | 177.1 | 155.1 | 0 | 112.6 | S359 R360 F361 L365 E366 D367 | S359-K363 PolarHBondContact O-N 3.26Å; R360-K363 PolarHBondContact O-N 2.85Å; F361-K363 VanDerWaalsContact C-N 3.29Å; F361-K363 PolarHBondContact O-N 2.82Å; K363-L365 PolarHBondContact O-N 3.16Å; K363-E366 PolarHBondContact O-N 3.43Å; K363-D367 VanDerWaalsContact CE-OD1 3.29Å; K363-D367 WeakPolarHBondContact CE-OD1 3.29Å; K363-D367 IonicContact NZ-OD1 3.84Å; K363-D367 PolarHBondContact NZ-OD1 2.79Å; K363-D367 IonicContact NZ-OD2 2.75Å; K363-D367 WeakPolarHBondContact O-CB 3.33Å; K363-D367 PolarHBondContact O-N 3.34Å |
| 364 | H | 98.4 | Very high | 97.9 | Very high | 23 Ų | 23 | 43 Ų | 43 | 11% | 0.106 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.2 | -41.2 | 176.3 | -74.7 | -177.3 | 0 | 0 | 0 | 113.2 | R360 F361 C362 D367 A368 L412 K415 Q419 | R360-H364 PolarHBondContact O-N 2.94Å; F361-H364 WeakPolarHBondContact O-CB 3.24Å; F361-H364 PolarHBondContact O-N 2.75Å; F361-H364 VanDerWaalsContact O-N 3.15Å; C362-H364 PolarHBondContact O-N 2.75Å; H364-D367 PolarHBondContact O-N 3.18Å; H364-A368 VanDerWaalsContact O-CB 3.22Å; H364-A368 WeakPolarHBondContact O-CB 3.45Å; H364-A368 PolarHBondContact O-N 3.44Å; H364-L412 HydrophobicContact CB-CD1 3.83Å; H364-K415 HydrophobicContact CB-CB 4.23Å; H364-K415 HydrophobicContact CB-CD 3.97Å; H364-K415 WeakPolarHBondContact O-CD 3.22Å; H364-Q419 PolarHBondContact CE1-NE2 3.23Å; H364-Q419 PolarHBondContact CE1-OE1 3.08Å; H364-Q419 PolarHBondContact NE2-NE2 3.42Å |
| 365 | L | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -68 | -40.8 | 179.1 | 176.1 | 52.7 | 0 | 0 | 0 | 111.3 | L37 I38 I339 T343 F361 C362 K363 A368 C369 V408 L412 | L37-L365 HydrophobicContact CB-CD1 4.35Å; L37-L365 HydrophobicContact CB-CD2 4.37Å; L37-L365 HydrophobicContact CD1-CD1 4.24Å; L37-L365 HydrophobicContact CD2-CD1 4.46Å; I38-L365 HydrophobicContact CD1-CD2 3.91Å; I339-L365 HydrophobicContact CG2-CD1 3.88Å; I339-L365 HydrophobicContact CG2-CD2 3.95Å; I339-L365 HydrophobicContact CG2-CG 3.7Å; T343-L365 HydrophobicContact CG2-CB 3.97Å; T343-L365 HydrophobicContact CG2-CD2 3.66Å; T343-L365 HydrophobicContact CG2-CG 3.78Å; F361-L365 HydrophobicContact CE1-CB 4.49Å; F361-L365 HydrophobicContact CE1-CD2 4.05Å; F361-L365 HydrophobicContact CZ-CD2 4.23Å; F361-L365 PolarHBondContact O-N 2.88Å; C362-L365 PolarHBondContact O-N 3.5Å; K363-L365 PolarHBondContact O-N 3.16Å; L365-A368 PolarHBondContact O-N 2.99Å; L365-C369 PolarHBondContact O-N 3.47Å; L365-C369 VanDerWaalsContact O-N 3.12Å; L365-C369 PolarHBondContact O-SG 3.04Å; L365-V408 HydrophobicContact CD1-CG1 3.64Å; L365-L412 HydrophobicContact CB-CD1 4.19Å; L365-L412 HydrophobicContact CD1-CD2 4.21Å |
| 366 | E | 98.4 | Very high | 97.7 | Very high | 10 Ų | 10 | 41.6 Ų | 41.6 | 5% | 0.047 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.3 | -47.4 | 171.9 | -71.1 | -173.3 | -177.1 | 0 | 0 | 111.9 | F340 T343 R344 C362 K363 A368 C369 V370 | F340-E366 HydrophobicContact CD1-CG 3.85Å; F340-E366 HydrophobicContact CD2-CG 4.23Å; F340-E366 HydrophobicContact CE1-CB 3.84Å; F340-E366 HydrophobicContact CE1-CG 3.55Å; F340-E366 HydrophobicContact CE2-CB 4.01Å; F340-E366 HydrophobicContact CE2-CG 3.93Å; F340-E366 HydrophobicContact CG-CG 4.22Å; F340-E366 HydrophobicContact CZ-CB 3.5Å; F340-E366 HydrophobicContact CZ-CG 3.6Å; T343-E366 WeakPolarHBondContact CB-OE1 3.41Å; T343-E366 HydrophobicContact CG2-CG 4.01Å; T343-E366 VanDerWaalsContact OG1-CG 3.28Å; T343-E366 WeakPolarHBondContact OG1-CG 3.48Å; T343-E366 PolarHBondContact OG1-OE1 2.78Å; R344-E366 VanDerWaalsContact CZ-CD 3.46Å; R344-E366 IonicContact CZ-OE1 3.46Å; R344-E366 IonicContact CZ-OE2 2.7Å; R344-E366 IonicContact NE-OE1 3.64Å; R344-E366 PolarHBondContact NE-OE1 3.02Å; R344-E366 IonicContact NH1-OE1 3.58Å; R344-E366 PolarHBondContact NH1-OE1 2.87Å; R344-E366 IonicContact NH1-OE2 3.24Å; R344-E366 PolarHBondContact NH1-OE2 3.14Å; R344-E366 VanDerWaalsContact NH1-OE2 3.08Å; R344-E366 VanDerWaalsContact NH2-CD 3.27Å; R344-E366 IonicContact NH2-OE1 3.5Å; R344-E366 PolarHBondContact NH2-OE1 3.03Å; R344-E366 IonicContact NH2-OE2 2.73Å; R344-E366 PolarHBondContact NH2-OE2 3.44Å; C362-E366 WeakPolarHBondContact O-CG 3.35Å; C362-E366 PolarHBondContact O-N 2.84Å; K363-E366 PolarHBondContact O-N 3.43Å; E366-A368 VanDerWaalsContact C-N 3.3Å; E366-A368 PolarHBondContact O-N 2.95Å; E366-C369 WeakPolarHBondContact O-CB 3.23Å; E366-C369 PolarHBondContact O-N 2.97Å; E366-V370 PolarHBondContact O-N 3.31Å |
| 367 | D | 98.3 | Very high | 97.7 | Very high | 43 Ų | 43 | 40.1 Ų | 40.1 | 23% | 0.23 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.6 | -37.5 | 178 | -69.6 | -15.5 | 0 | 0 | 0 | 111.4 | K363 H364 C369 V370 E371 K415 | K363-D367 VanDerWaalsContact CE-OD1 3.29Å; K363-D367 WeakPolarHBondContact CE-OD1 3.29Å; K363-D367 IonicContact NZ-OD1 3.84Å; K363-D367 PolarHBondContact NZ-OD1 2.79Å; K363-D367 IonicContact NZ-OD2 2.75Å; K363-D367 WeakPolarHBondContact O-CB 3.33Å; K363-D367 PolarHBondContact O-N 3.34Å; H364-D367 PolarHBondContact O-N 3.18Å; D367-C369 VanDerWaalsContact C-N 3.32Å; D367-C369 PolarHBondContact O-N 2.89Å; D367-V370 PolarHBondContact O-N 3.26Å; D367-E371 VanDerWaalsContact O-CB 3.3Å; D367-E371 WeakPolarHBondContact O-CB 3.45Å; D367-E371 VanDerWaalsContact O-CG 3.26Å; D367-E371 WeakPolarHBondContact O-CG 3.21Å; D367-E371 PolarHBondContact O-N 2.88Å; D367-K415 HydrophobicContact CB-CD 4.46Å |
| 368 | A | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.4 | -35.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | H364 L365 E366 A372 V408 K411 L412 | H364-A368 VanDerWaalsContact O-CB 3.22Å; H364-A368 WeakPolarHBondContact O-CB 3.45Å; H364-A368 PolarHBondContact O-N 3.44Å; L365-A368 PolarHBondContact O-N 2.99Å; E366-A368 VanDerWaalsContact C-N 3.3Å; E366-A368 PolarHBondContact O-N 2.95Å; A368-A372 WeakPolarHBondContact O-CB 3.31Å; A368-A372 PolarHBondContact O-N 3.01Å; A368-V408 HydrophobicContact CB-CG1 4.13Å; A368-K411 HydrophobicContact CB-CB 3.7Å; A368-L412 HydrophobicContact CB-CB 4.15Å |
| 369 | C | 98.2 | Very high | 97.6 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.3 | -51.3 | 172.2 | -67 | 0 | 0 | 0 | 0 | 111.3 | F340 L365 E366 D367 A372 V373 Y404 | F340-C369 HydrophobicContact CE2-CB 3.89Å; L365-C369 PolarHBondContact O-N 3.47Å; L365-C369 VanDerWaalsContact O-N 3.12Å; L365-C369 PolarHBondContact O-SG 3.04Å; E366-C369 WeakPolarHBondContact O-CB 3.23Å; E366-C369 PolarHBondContact O-N 2.97Å; D367-C369 VanDerWaalsContact C-N 3.32Å; D367-C369 PolarHBondContact O-N 2.89Å; C369-A372 PolarHBondContact O-N 3.44Å; C369-V373 PolarHBondContact O-N 2.84Å; C369-Y404 PolarHBondContact O-OH 2.92Å |
| 370 | V | 97.9 | Very high | 97.4 | Very high | 32 Ų | 32 | 35.6 Ų | 35.6 | 19% | 0.194 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.7 | -49.7 | -179.4 | 177.1 | 0 | 0 | 0 | 0 | 110.2 | I119 E366 D367 A372 V373 E374 | I119-V370 HydrophobicContact CG2-CG2 4.05Å; E366-V370 PolarHBondContact O-N 3.31Å; D367-V370 PolarHBondContact O-N 3.26Å; V370-A372 VanDerWaalsContact C-N 3.31Å; V370-A372 PolarHBondContact O-N 2.95Å; V370-V373 WeakPolarHBondContact O-CB 3.36Å; V370-V373 PolarHBondContact O-N 3.4Å; V370-V373 VanDerWaalsContact O-N 3.08Å; V370-E374 HydrophobicContact CG1-CG 4.17Å; V370-E374 WeakPolarHBondContact O-CG 3.48Å; V370-E374 PolarHBondContact O-N 2.89Å |
| 371 | E | 98.2 | Very high | 97.1 | Very high | 72 Ų | 72 | 31.8 Ų | 31.8 | 34% | 0.336 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -60.3 | -35.5 | 180 | -74.6 | 173.2 | -172.7 | 0 | 0 | 113.6 | D367 E374 D375 K415 | D367-E371 VanDerWaalsContact O-CB 3.3Å; D367-E371 WeakPolarHBondContact O-CB 3.45Å; D367-E371 VanDerWaalsContact O-CG 3.26Å; D367-E371 WeakPolarHBondContact O-CG 3.21Å; D367-E371 PolarHBondContact O-N 2.88Å; E371-E374 PolarHBondContact O-N 3.37Å; E371-D375 WeakPolarHBondContact O-CB 3.48Å; E371-D375 PolarHBondContact O-N 3.46Å; E371-K415 VanDerWaalsContact CD-CE 3.47Å; E371-K415 WeakPolarHBondContact OE1-CE 3.32Å; E371-K415 IonicContact OE1-NZ 3.37Å; E371-K415 PolarHBondContact OE1-NZ 3.3Å; E371-K415 WeakPolarHBondContact OE2-CE 3.27Å; E371-K415 IonicContact OE2-NZ 2.84Å; E371-K415 PolarHBondContact OE2-NZ 3.15Å |
| 372 | A | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.1 | -45.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | A368 C369 V370 D375 Q377 Y404 A407 V408 | A368-A372 WeakPolarHBondContact O-CB 3.31Å; A368-A372 PolarHBondContact O-N 3.01Å; C369-A372 PolarHBondContact O-N 3.44Å; V370-A372 VanDerWaalsContact C-N 3.31Å; V370-A372 PolarHBondContact O-N 2.95Å; A372-D375 PolarHBondContact O-N 3.02Å; A372-Q377 CarbonylContact C-O 3.58Å; A372-Q377 VanDerWaalsContact C-O 3.23Å; A372-Q377 HydrophobicContact CB-CB 4.43Å; A372-Q377 CarbonylContact O-C 3.59Å; A372-Q377 WeakPolarHBondContact O-CA 3.43Å; A372-Q377 VanDerWaalsContact O-CB 3.3Å; A372-Q377 WeakPolarHBondContact O-CB 3.28Å; A372-Q377 PolarHBondContact O-N 2.8Å; A372-Q377 VanDerWaalsContact O-O 3.05Å; A372-Y404 HydrophobicContact CB-CE2 3.93Å; A372-A407 HydrophobicContact CB-CB 4.36Å; A372-V408 HydrophobicContact CB-CG2 4.36Å |
| 373 | V | 96.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.8 | -44.5 | 176.2 | 178.8 | 0 | 0 | 0 | 0 | 111 | C121 V124 I336 C369 V370 D375 G376 M378 L382 Y404 | C121-V373 HydrophobicContact CB-CG1 4.05Å; V124-V373 HydrophobicContact CG2-CG1 4.04Å; I336-V373 HydrophobicContact CD1-CG2 3.87Å; C369-V373 PolarHBondContact O-N 2.84Å; V370-V373 WeakPolarHBondContact O-CB 3.36Å; V370-V373 PolarHBondContact O-N 3.4Å; V370-V373 VanDerWaalsContact O-N 3.08Å; V373-D375 PolarHBondContact O-N 3.37Å; V373-G376 PolarHBondContact O-N 3.48Å; V373-G376 VanDerWaalsContact O-N 3.12Å; V373-M378 HydrophobicContact CG1-CB 4.32Å; V373-M378 HydrophobicContact CG2-CB 4.3Å; V373-L382 HydrophobicContact CG1-CD1 4.11Å; V373-L382 HydrophobicContact CG2-CD1 3.74Å; V373-Y404 HydrophobicContact CG2-CE2 3.92Å |
| 374 | E | 96.2 | Very high | 96.3 | Very high | 51 Ų | 51 | 29 Ų | 29 | 24% | 0.238 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.2 | -31.1 | 177.8 | -58.6 | -55.5 | 177.9 | 0 | 0 | 113.4 | C121 K122 T123 V370 E371 G376 | C121-E374 VanDerWaalsContact CA-OE1 3.29Å; C121-E374 WeakPolarHBondContact CA-OE1 3.49Å; K122-E374 WeakPolarHBondContact CB-OE1 3.15Å; K122-E374 PolarHBondContact N-OE1 3.35Å; T123-E374 VanDerWaalsContact CB-OE2 3.23Å; T123-E374 WeakPolarHBondContact CB-OE2 3.35Å; T123-E374 WeakPolarHBondContact CG2-OE2 3.45Å; T123-E374 PolarHBondContact N-OE2 3.3Å; T123-E374 PolarHBondContact OG1-OE2 2.95Å; V370-E374 HydrophobicContact CG1-CG 4.17Å; V370-E374 WeakPolarHBondContact O-CG 3.48Å; V370-E374 PolarHBondContact O-N 2.89Å; E371-E374 PolarHBondContact O-N 3.37Å; E374-G376 PolarHBondContact O-N 3.36Å |
| 375 | D | 96.6 | Very high | 95.9 | Very high | 97 Ų | 97 | 29.2 Ų | 29.2 | 52% | 0.519 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | 11.2 | 179.2 | -80 | 3.7 | 0 | 0 | 0 | 113.6 | E371 A372 V373 Q377 K411 | E371-D375 WeakPolarHBondContact O-CB 3.48Å; E371-D375 PolarHBondContact O-N 3.46Å; A372-D375 PolarHBondContact O-N 3.02Å; V373-D375 PolarHBondContact O-N 3.37Å; D375-Q377 VanDerWaalsContact C-N 3.33Å; D375-K411 VanDerWaalsContact OD2-CE 3.23Å; D375-K411 WeakPolarHBondContact OD2-CE 3.4Å; D375-K411 IonicContact OD2-NZ 3.21Å; D375-K411 PolarHBondContact OD2-NZ 3.02Å |
| 376 | G | 95.1 | Very high | 95.5 | Very high | 46 Ų | 46 | 31.1 Ų | 31.1 | 47% | 0.474 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 84.5 | 6.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | V373 E374 M378 | V373-G376 PolarHBondContact O-N 3.48Å; V373-G376 VanDerWaalsContact O-N 3.12Å; E374-G376 PolarHBondContact O-N 3.36Å; G376-M378 WeakPolarHBondContact O-CE 3.35Å |
| 377 | Q | 97.4 | Very high | 95.1 | Very high | 55 Ų | 55 | 34.3 Ų | 34.3 | 26% | 0.257 | 19% | 0.186 | S | C | . | . | trans | -103 | 91.4 | -178.1 | -54 | -162 | -78.9 | 0 | 0 | 109.7 | A372 D375 L399 Y404 A407 | A372-Q377 CarbonylContact C-O 3.58Å; A372-Q377 VanDerWaalsContact C-O 3.23Å; A372-Q377 HydrophobicContact CB-CB 4.43Å; A372-Q377 CarbonylContact O-C 3.59Å; A372-Q377 WeakPolarHBondContact O-CA 3.43Å; A372-Q377 VanDerWaalsContact O-CB 3.3Å; A372-Q377 WeakPolarHBondContact O-CB 3.28Å; A372-Q377 PolarHBondContact O-N 2.8Å; A372-Q377 VanDerWaalsContact O-O 3.05Å; D375-Q377 VanDerWaalsContact C-N 3.33Å; Q377-L399 HydrophobicContact CB-CD1 3.71Å; Q377-L399 HydrophobicContact CG-CD1 4.47Å; Q377-Y404 WeakPolarHBondContact O-CD2 3.49Å; Q377-Y404 WeakPolarHBondContact O-CE2 3.4Å; Q377-A407 HydrophobicContact CB-CB 4.04Å | ||
| 378 | M | 96.6 | Very high | 94.3 | Very high | 15 Ų | 15 | 42.6 Ų | 42.6 | 7% | 0.074 | 21% | 0.214 | C | C | . | . | trans | -144 | 164.4 | -171.4 | 73.1 | -150.8 | 81 | 0 | 0 | 112.9 | V373 G376 L382 A383 I386 Y398 L399 | V373-M378 HydrophobicContact CG1-CB 4.32Å; V373-M378 HydrophobicContact CG2-CB 4.3Å; G376-M378 WeakPolarHBondContact O-CE 3.35Å; M378-L382 HydrophobicContact CB-CB 4.02Å; M378-L382 HydrophobicContact CB-CD1 4.19Å; M378-L382 HydrophobicContact CG-CB 4.05Å; M378-L382 HydrophobicContact SD-CB 4.35Å; M378-A383 HydrophobicContact CG-CB 4.27Å; M378-A383 HydrophobicContact SD-CB 4.41Å; M378-I386 HydrophobicContact CE-CD1 4.3Å; M378-I386 HydrophobicContact SD-CD1 3.29Å; M378-I386 WeakPolarHBondContact SD-CD1 3.18Å; M378-Y398 CarbonylContact O-C 3.6Å; M378-Y398 WeakPolarHBondContact O-CA 3.47Å; M378-L399 PolarHBondContact O-N 3.32Å | ||
| 379 | T | 95.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 23% | 0.234 | C | C | . | . | B | Isolated β-bridge | trans | -78.3 | 165.3 | 174.8 | 49.7 | 0 | 0 | 0 | 0 | 112.6 | S332 N334 D381 L382 A383 Y404 | S332-T379 WeakPolarHBondContact OG-CA 3.39Å; S332-T379 WeakPolarHBondContact OG-CB 3.43Å; N334-T379 WeakPolarHBondContact CB-OG1 3.39Å; T379-D381 VanDerWaalsContact C-N 3.29Å; T379-D381 VanDerWaalsContact CB-OD1 3.25Å; T379-D381 WeakPolarHBondContact CB-OD1 3.35Å; T379-D381 PolarHBondContact O-N 2.75Å; T379-D381 PolarHBondContact OG1-OD1 2.7Å; T379-L382 PolarHBondContact O-N 3.39Å; T379-L382 VanDerWaalsContact O-N 3.12Å; T379-A383 PolarHBondContact O-N 2.84Å; T379-Y404 HydrophobicContact CG2-CD1 4.45Å; T379-Y404 HydrophobicContact CG2-CG 4.13Å |
| 380 | K | 93.7 | Very high | 92.6 | Very high | 60 Ų | 60 | 50.8 Ų | 50.8 | 26% | 0.261 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -59.2 | -37.9 | -171.5 | -172.9 | -179.2 | 171.8 | -169.8 | 0 | 112.4 | S332 L382 A383 M384 E390 V393 Y398 | S332-K380 PolarHBondContact OG-N 3.46Å; K380-L382 PolarHBondContact O-N 2.8Å; K380-A383 PolarHBondContact O-N 3.19Å; K380-M384 HydrophobicContact CG-CG 4.43Å; K380-M384 HydrophobicContact CG-SD 4.16Å; K380-M384 WeakPolarHBondContact O-CB 3.42Å; K380-M384 WeakPolarHBondContact O-CG 3.35Å; K380-M384 PolarHBondContact O-N 2.93Å; K380-E390 IonicContact NZ-OE1 2.87Å; K380-E390 PolarHBondContact NZ-OE1 3.14Å; K380-V393 HydrophobicContact CG-CG1 4.3Å; K380-Y398 HydrophobicContact CB-CD1 4.21Å; K380-Y398 HydrophobicContact CB-CD2 3.76Å; K380-Y398 HydrophobicContact CB-CE2 4.16Å; K380-Y398 HydrophobicContact CB-CG 3.78Å; K380-Y398 HydrophobicContact CD-CE1 4.13Å; K380-Y398 HydrophobicContact CD-CE2 4.33Å; K380-Y398 HydrophobicContact CG-CD1 3.97Å; K380-Y398 HydrophobicContact CG-CD2 4.29Å; K380-Y398 HydrophobicContact CG-CE1 4.05Å; K380-Y398 HydrophobicContact CG-CE2 4.39Å; K380-Y398 HydrophobicContact CG-CG 4.08Å |
| 381 | D | 91.7 | Very high | 92.1 | Very high | 49 Ų | 49 | 57.5 Ų | 57.5 | 26% | 0.262 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -60.4 | -42.3 | 177 | 64.8 | -55.3 | 0 | 0 | 0 | 112.4 | N334 T379 M384 A385 | N334-D381 WeakPolarHBondContact CB-OD1 3.47Å; N334-D381 WeakPolarHBondContact CB-OD2 3.03Å; N334-D381 PolarHBondContact ND2-OD2 3.15Å; T379-D381 VanDerWaalsContact C-N 3.29Å; T379-D381 VanDerWaalsContact CB-OD1 3.25Å; T379-D381 WeakPolarHBondContact CB-OD1 3.35Å; T379-D381 PolarHBondContact O-N 2.75Å; T379-D381 PolarHBondContact OG1-OD1 2.7Å; D381-M384 WeakPolarHBondContact O-CB 3.39Å; D381-M384 PolarHBondContact O-N 3.06Å; D381-A385 PolarHBondContact O-N 2.91Å |
| 382 | L | 93.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -72.2 | -40.3 | 178 | -62.4 | -175.9 | 0 | 0 | 0 | 111.5 | V124 L296 I336 V373 M378 T379 K380 M384 A385 I386 | V124-L382 HydrophobicContact CG2-CD2 4.45Å; L296-L382 HydrophobicContact CD1-CD2 3.71Å; L296-L382 HydrophobicContact CD2-CD1 4.4Å; L296-L382 HydrophobicContact CD2-CD2 4.38Å; L296-L382 HydrophobicContact CG-CD2 3.91Å; I336-L382 HydrophobicContact CD1-CD1 3.85Å; V373-L382 HydrophobicContact CG1-CD1 4.11Å; V373-L382 HydrophobicContact CG2-CD1 3.74Å; M378-L382 HydrophobicContact CB-CB 4.02Å; M378-L382 HydrophobicContact CB-CD1 4.19Å; M378-L382 HydrophobicContact CG-CB 4.05Å; M378-L382 HydrophobicContact SD-CB 4.35Å; T379-L382 PolarHBondContact O-N 3.39Å; T379-L382 VanDerWaalsContact O-N 3.12Å; K380-L382 PolarHBondContact O-N 2.8Å; L382-M384 VanDerWaalsContact C-N 3.26Å; L382-M384 PolarHBondContact O-N 3.44Å; L382-A385 WeakPolarHBondContact O-CB 3.48Å; L382-A385 PolarHBondContact O-N 3.15Å; L382-A385 VanDerWaalsContact O-N 3.14Å; L382-I386 WeakPolarHBondContact O-CG1 3.3Å; L382-I386 PolarHBondContact O-N 2.86Å |
| 383 | A | 93.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -58.3 | -41.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111 | M378 T379 K380 I386 H387 V393 | M378-A383 HydrophobicContact CG-CB 4.27Å; M378-A383 HydrophobicContact SD-CB 4.41Å; T379-A383 PolarHBondContact O-N 2.84Å; K380-A383 PolarHBondContact O-N 3.19Å; A383-I386 PolarHBondContact O-N 3.49Å; A383-H387 WeakPolarHBondContact O-CB 3.31Å; A383-H387 PolarHBondContact O-CD2 2.96Å; A383-H387 PolarHBondContact O-N 3.03Å; A383-V393 HydrophobicContact CB-CG1 3.98Å; A383-V393 HydrophobicContact CB-CG2 4.33Å |
| 384 | M | 91.2 | Very high | 91 | Very high | 57 Ų | 57 | 64.4 Ų | 64.4 | 28% | 0.281 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -64.1 | -40.3 | 174.7 | -73.6 | 174.9 | 52.7 | 0 | 0 | 112.7 | K380 D381 L382 R388 E390 V393 | K380-M384 HydrophobicContact CG-CG 4.43Å; K380-M384 HydrophobicContact CG-SD 4.16Å; K380-M384 WeakPolarHBondContact O-CB 3.42Å; K380-M384 WeakPolarHBondContact O-CG 3.35Å; K380-M384 PolarHBondContact O-N 2.93Å; D381-M384 WeakPolarHBondContact O-CB 3.39Å; D381-M384 PolarHBondContact O-N 3.06Å; L382-M384 VanDerWaalsContact C-N 3.26Å; L382-M384 PolarHBondContact O-N 3.44Å; M384-R388 CarbonylContact O-C 3.47Å; M384-R388 WeakPolarHBondContact O-CA 3.42Å; M384-R388 PolarHBondContact O-N 3.09Å; M384-E390 HydrophobicContact CE-CB 3.66Å; M384-E390 HydrophobicContact CE-CG 3.96Å; M384-E390 HydrophobicContact CG-CB 4.45Å; M384-E390 HydrophobicContact SD-CB 4.14Å; M384-E390 HydrophobicContact SD-CG 3.88Å; M384-V393 HydrophobicContact CB-CG2 4.37Å; M384-V393 HydrophobicContact CG-CB 4.27Å; M384-V393 HydrophobicContact CG-CG2 3.81Å |
| 385 | A | 89.7 | Confident | 90.5 | Very high | 27 Ų | 27 | 70.2 Ų | 70.2 | 22% | 0.223 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62.9 | -43.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | V124 D381 L382 | V124-A385 HydrophobicContact CG1-CB 4.37Å; D381-A385 PolarHBondContact O-N 2.91Å; L382-A385 WeakPolarHBondContact O-CB 3.48Å; L382-A385 PolarHBondContact O-N 3.15Å; L382-A385 VanDerWaalsContact O-N 3.14Å |
| 386 | I | 91 | Very high | 90.2 | Very high | 39 Ų | 39 | 69.4 Ų | 69.4 | 20% | 0.2 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -67.1 | -46.2 | 179.2 | -72.2 | 159.9 | 0 | 0 | 0 | 111.8 | V124 M378 L382 A383 R388 | V124-I386 HydrophobicContact CG2-CD1 4.16Å; V124-I386 HydrophobicContact CG2-CG1 4.33Å; M378-I386 HydrophobicContact CE-CD1 4.3Å; M378-I386 HydrophobicContact SD-CD1 3.29Å; M378-I386 WeakPolarHBondContact SD-CD1 3.18Å; L382-I386 WeakPolarHBondContact O-CG1 3.3Å; L382-I386 PolarHBondContact O-N 2.86Å; A383-I386 PolarHBondContact O-N 3.49Å; I386-R388 VanDerWaalsContact C-N 3.28Å; I386-R388 PolarHBondContact O-N 3.46Å |
| 387 | H | 89.4 | Confident | 90.1 | Very high | 77 Ų | 77 | 70.1 Ų | 70.1 | 36% | 0.356 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | 7.1 | -178.2 | -63.8 | -69.8 | 0 | 0 | 0 | 113.9 | A383 N389 N392 V393 M397 | A383-H387 WeakPolarHBondContact O-CB 3.31Å; A383-H387 PolarHBondContact O-CD2 2.96Å; A383-H387 PolarHBondContact O-N 3.03Å; H387-N389 PolarHBondContact O-N 3.15Å; H387-N392 HydrophobicContact CB-CB 4.03Å; H387-N392 PolarHBondContact O-ND2 3.26Å; H387-V393 HydrophobicContact CB-CG2 4.03Å; H387-M397 VanDerWaalsContact CD2-CE 3.41Å; H387-M397 WeakPolarHBondContact CD2-CE 3.38Å; H387-M397 WeakPolarHBondContact NE2-CE 3.23Å |
| 388 | R | 81.8 | Confident | 90 | Very high | 217 Ų | 217 | 70 Ų | 70 | 82% | 0.819 | 35% | 0.348 | S | S | * | . | S | Bend | trans | 59 | -9.8 | 174.8 | -57.5 | -177.6 | 178.5 | -132.7 | -0.4 | 117 | M384 I386 | M384-R388 CarbonylContact O-C 3.47Å; M384-R388 WeakPolarHBondContact O-CA 3.42Å; M384-R388 PolarHBondContact O-N 3.09Å; I386-R388 VanDerWaalsContact C-N 3.28Å; I386-R388 PolarHBondContact O-N 3.46Å |
| 389 | N | 78.8 | Confident | 90.1 | Very high | 78 Ų | 78 | 71 Ų | 71 | 42% | 0.417 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -152.1 | 135.5 | -176.6 | -165.1 | -39 | 0 | 0 | 0 | 110.5 | H387 K391 N392 | H387-N389 PolarHBondContact O-N 3.15Å; N389-K391 PolarHBondContact O-N 2.9Å; N389-K391 PolarHBondContact OD1-N 3.24Å; N389-N392 WeakPolarHBondContact O-CB 3.47Å; N389-N392 PolarHBondContact O-N 3.37Å |
| 390 | E | 81.9 | Confident | 90.2 | Very high | 95 Ų | 95 | 72.2 Ų | 72.2 | 44% | 0.444 | 36% | 0.361 | S | S | . | . | G | 310 helix | trans | -54.9 | -35.1 | 175.2 | -170.1 | 169.2 | -168.6 | 0 | 0 | 112.6 | K380 M384 N392 V393 | K380-E390 IonicContact NZ-OE1 2.87Å; K380-E390 PolarHBondContact NZ-OE1 3.14Å; M384-E390 HydrophobicContact CE-CB 3.66Å; M384-E390 HydrophobicContact CE-CG 3.96Å; M384-E390 HydrophobicContact CG-CB 4.45Å; M384-E390 HydrophobicContact SD-CB 4.14Å; M384-E390 HydrophobicContact SD-CG 3.88Å; E390-N392 PolarHBondContact O-N 3.43Å; E390-N392 VanDerWaalsContact O-N 3.16Å; E390-V393 PolarHBondContact O-N 3.16Å |
| 391 | K | 86.5 | Confident | 90.3 | Very high | 173 Ų | 173 | 69.5 Ų | 69.5 | 75% | 0.752 | 35% | 0.35 | S | S | * | . | G | 310 helix | trans | -63.8 | -20.4 | 179.9 | -64.6 | -177.2 | 179.8 | -178.1 | 0 | 113.8 | N389 H394 | N389-K391 PolarHBondContact O-N 2.9Å; N389-K391 PolarHBondContact OD1-N 3.24Å; K391-H394 PolarHBondContact O-CE1 3.15Å; K391-H394 VanDerWaalsContact O-CE1 3.27Å |
| 392 | N | 88.8 | Confident | 90.6 | Very high | 87 Ų | 87 | 71.7 Ų | 71.7 | 47% | 0.465 | 36% | 0.358 | S | S | . | . | G | 310 helix | trans | -92.8 | -1 | 179.2 | -61.2 | -19.5 | 0 | 0 | 0 | 112.4 | H387 N389 E390 M397 | H387-N392 HydrophobicContact CB-CB 4.03Å; H387-N392 PolarHBondContact O-ND2 3.26Å; N389-N392 WeakPolarHBondContact O-CB 3.47Å; N389-N392 PolarHBondContact O-N 3.37Å; E390-N392 PolarHBondContact O-N 3.43Å; E390-N392 VanDerWaalsContact O-N 3.16Å; N392-M397 WeakPolarHBondContact O-CE 3.12Å |
| 393 | V | 90.9 | Very high | 90.8 | Very high | 12 Ų | 12 | 75.4 Ų | 75.4 | 7% | 0.073 | 38% | 0.376 | C | S | . | . | trans | -108.1 | 118.1 | -177.8 | 180 | 0 | 0 | 0 | 0 | 108.8 | K380 A383 M384 H387 E390 Y398 | K380-V393 HydrophobicContact CG-CG1 4.3Å; A383-V393 HydrophobicContact CB-CG1 3.98Å; A383-V393 HydrophobicContact CB-CG2 4.33Å; M384-V393 HydrophobicContact CB-CG2 4.37Å; M384-V393 HydrophobicContact CG-CB 4.27Å; M384-V393 HydrophobicContact CG-CG2 3.81Å; H387-V393 HydrophobicContact CB-CG2 4.03Å; E390-V393 PolarHBondContact O-N 3.16Å; V393-Y398 HydrophobicContact CG1-CD1 3.54Å; V393-Y398 HydrophobicContact CG1-CE1 3.96Å | ||
| 394 | H | 90.2 | Very high | 91 | Very high | 117 Ų | 117 | 75.4 Ų | 75.4 | 54% | 0.542 | 38% | 0.376 | S | S | . | . | trans | -116.9 | 163.1 | 179.4 | -51.7 | -60 | 0 | 0 | 0 | 110.7 | K391 G396 M397 Y398 | K391-H394 PolarHBondContact O-CE1 3.15Å; K391-H394 VanDerWaalsContact O-CE1 3.27Å; H394-G396 PolarHBondContact O-N 3.45Å; H394-M397 HydrophobicContact CB-SD 4.19Å; H394-M397 PolarHBondContact N-SD 3.29Å; H394-M397 VanDerWaalsContact N-SD 3.41Å; H394-M397 WeakPolarHBondContact O-CB 3.38Å; H394-M397 PolarHBondContact O-N 3.4Å; H394-M397 VanDerWaalsContact O-N 3.08Å; H394-Y398 WeakPolarHBondContact O-CE1 3.28Å | ||
| 395 | E | 86.6 | Confident | 91.3 | Very high | 173 Ų | 173 | 72.7 Ų | 72.7 | 81% | 0.808 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | 138.5 | 171.7 | -69.6 | -175.4 | 173.7 | 0 | 0 | 110.4 | ||
| 396 | G | 90 | Very high | 91.7 | Very high | 81 Ų | 81 | 73.9 Ų | 73.9 | 84% | 0.835 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.7 | -14.2 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | H394 | H394-G396 PolarHBondContact O-N 3.45Š|
| 397 | M | 93.4 | Very high | 92.1 | Very high | 61 Ų | 61 | 72 Ų | 72 | 30% | 0.3 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -91 | -9.1 | 172.9 | -59.8 | 177.4 | 64.3 | 0 | 0 | 113.6 | H387 N392 H394 | H387-M397 VanDerWaalsContact CD2-CE 3.41Å; H387-M397 WeakPolarHBondContact CD2-CE 3.38Å; H387-M397 WeakPolarHBondContact NE2-CE 3.23Å; N392-M397 WeakPolarHBondContact O-CE 3.12Å; H394-M397 HydrophobicContact CB-SD 4.19Å; H394-M397 PolarHBondContact N-SD 3.29Å; H394-M397 VanDerWaalsContact N-SD 3.41Å; H394-M397 WeakPolarHBondContact O-CB 3.38Å; H394-M397 PolarHBondContact O-N 3.4Å; H394-M397 VanDerWaalsContact O-N 3.08Å |
| 398 | Y | 95.7 | Very high | 92.5 | Very high | 52 Ų | 52 | 68.3 Ų | 68.3 | 20% | 0.204 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -141.1 | 159.5 | 178.7 | 62.5 | -92.2 | 0 | 0 | 0 | 110 | M378 K380 V393 H394 | M378-Y398 CarbonylContact O-C 3.6Å; M378-Y398 WeakPolarHBondContact O-CA 3.47Å; K380-Y398 HydrophobicContact CB-CD1 4.21Å; K380-Y398 HydrophobicContact CB-CD2 3.76Å; K380-Y398 HydrophobicContact CB-CE2 4.16Å; K380-Y398 HydrophobicContact CB-CG 3.78Å; K380-Y398 HydrophobicContact CD-CE1 4.13Å; K380-Y398 HydrophobicContact CD-CE2 4.33Å; K380-Y398 HydrophobicContact CG-CD1 3.97Å; K380-Y398 HydrophobicContact CG-CD2 4.29Å; K380-Y398 HydrophobicContact CG-CE1 4.05Å; K380-Y398 HydrophobicContact CG-CE2 4.39Å; K380-Y398 HydrophobicContact CG-CG 4.08Å; V393-Y398 HydrophobicContact CG1-CD1 3.54Å; V393-Y398 HydrophobicContact CG1-CE1 3.96Å; H394-Y398 WeakPolarHBondContact O-CE1 3.28Å |
| 399 | L | 97.7 | Very high | 93.3 | Very high | 37 Ų | 37 | 61 Ų | 61 | 19% | 0.194 | 31% | 0.312 | C | S | . | . | B | Isolated β-bridge | trans | -100.3 | 150 | 176.3 | -61.4 | -175.1 | 0 | 0 | 0 | 110.4 | S332 Q377 M378 E403 A407 | S332-L399 WeakPolarHBondContact CB-O 3.36Å; S332-L399 PolarHBondContact OG-O 3.16Å; Q377-L399 HydrophobicContact CB-CD1 3.71Å; Q377-L399 HydrophobicContact CG-CD1 4.47Å; M378-L399 PolarHBondContact O-N 3.32Å; L399-E403 HydrophobicContact CB-CB 3.87Å; L399-E403 HydrophobicContact CD1-CB 4.37Å; L399-E403 HydrophobicContact CD2-CB 4.15Å; L399-E403 HydrophobicContact CG-CB 4.35Å; L399-A407 HydrophobicContact CD1-CB 4.31Å |
| 400 | T | 97.1 | Very high | 94.2 | Very high | 24 Ų | 24 | 62.3 Ų | 62.3 | 15% | 0.147 | 31% | 0.311 | C | S | . | . | trans | -64.1 | 163.5 | 161.1 | 61.6 | 0 | 0 | 0 | 0 | 110.2 | K330 T331 E402 E403 Y404 | K330-T400 HydrophobicContact CB-CG2 3.89Å; K330-T400 HydrophobicContact CD-CG2 3.98Å; T331-T400 CarbonylContact O-C 3.49Å; T331-T400 WeakPolarHBondContact O-CA 3.29Å; T331-T400 WeakPolarHBondContact O-CB 3.17Å; T400-E402 PolarHBondContact O-N 3.01Å; T400-E403 WeakPolarHBondContact CB-OE2 3.46Å; T400-E403 WeakPolarHBondContact CG2-OE2 3.21Å; T400-E403 PolarHBondContact N-OE2 3.43Å; T400-E403 PolarHBondContact O-N 3.14Å; T400-E403 VanDerWaalsContact OG1-CG 3.26Å; T400-E403 WeakPolarHBondContact OG1-CG 3.37Å; T400-E403 PolarHBondContact OG1-N 3.37Å; T400-E403 PolarHBondContact OG1-OE2 3.02Å; T400-Y404 PolarHBondContact O-N 3.48Å | ||
| 401 | T | 97 | Very high | 95 | Very high | 3 Ų | 3 | 59.8 Ų | 59.8 | 2% | 0.018 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -54.6 | -42.6 | 179.6 | -59 | 0 | 0 | 0 | 0 | 111.8 | I29 T331 T333 P335 M405 | I29-T401 HydrophobicContact CD1-CG2 3.97Å; I29-T401 HydrophobicContact CG1-CG2 3.85Å; T331-T401 PolarHBondContact O-N 3.17Å; T331-T401 PolarHBondContact O-OG1 3.42Å; T333-T401 WeakPolarHBondContact CA-OG1 3.29Å; T333-T401 WeakPolarHBondContact CB-OG1 3.35Å; T333-T401 PolarHBondContact N-OG1 3.15Å; T333-T401 WeakPolarHBondContact O-CB 3.46Å; T333-T401 VanDerWaalsContact O-CG2 3.31Å; T333-T401 WeakPolarHBondContact O-CG2 3.31Å; T333-T401 PolarHBondContact O-OG1 3.04Å; P335-T401 HydrophobicContact CB-CG2 4.49Å; P335-T401 HydrophobicContact CG-CG2 4.46Å; T401-M405 HydrophobicContact CG2-CE 3.87Å; T401-M405 PolarHBondContact O-N 2.92Å |
| 402 | E | 96.8 | Very high | 95.6 | Very high | 96 Ų | 96 | 51.6 Ų | 51.6 | 45% | 0.449 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -67.8 | -47.2 | 179.8 | -172.3 | 172 | -168.3 | 0 | 0 | 112.4 | K36 T400 Y404 M405 D406 | K36-E402 IonicContact NZ-OE1 2.98Å; K36-E402 PolarHBondContact NZ-OE1 3.46Å; T400-E402 PolarHBondContact O-N 3.01Å; E402-Y404 VanDerWaalsContact C-N 3.27Å; E402-Y404 PolarHBondContact O-N 3.47Å; E402-M405 PolarHBondContact O-N 3.01Å; E402-M405 VanDerWaalsContact O-N 3.14Å; E402-D406 PolarHBondContact O-N 2.84Å |
| 403 | E | 98.1 | Very high | 95.9 | Very high | 78 Ų | 78 | 49.4 Ų | 49.4 | 36% | 0.364 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61.5 | -36.7 | 178.3 | -73.4 | 160.1 | 165.4 | 0 | 0 | 112 | L399 T400 D406 A407 | L399-E403 HydrophobicContact CB-CB 3.87Å; L399-E403 HydrophobicContact CD1-CB 4.37Å; L399-E403 HydrophobicContact CD2-CB 4.15Å; L399-E403 HydrophobicContact CG-CB 4.35Å; T400-E403 WeakPolarHBondContact CB-OE2 3.46Å; T400-E403 WeakPolarHBondContact CG2-OE2 3.21Å; T400-E403 PolarHBondContact N-OE2 3.43Å; T400-E403 PolarHBondContact O-N 3.14Å; T400-E403 VanDerWaalsContact OG1-CG 3.26Å; T400-E403 WeakPolarHBondContact OG1-CG 3.37Å; T400-E403 PolarHBondContact OG1-N 3.37Å; T400-E403 PolarHBondContact OG1-OE2 3.02Å; E403-D406 PolarHBondContact O-N 3.03Å; E403-A407 PolarHBondContact O-N 3.48Å |
| 404 | Y | 98.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.5 | -46.9 | 173.1 | 177.2 | -99.2 | 0 | 0 | 0 | 111.5 | P335 I336 C369 A372 V373 Q377 T379 T400 E402 D406 A407 V408 | P335-Y404 HydrophobicContact CG-CD1 3.46Å; P335-Y404 VanDerWaalsContact CG-CD1 3.46Å; P335-Y404 HydrophobicContact CG-CE1 3.73Å; I336-Y404 HydrophobicContact CD1-CE1 4.29Å; I336-Y404 VanDerWaalsContact CD1-OH 3.22Å; I336-Y404 WeakPolarHBondContact CD1-OH 3.35Å; I336-Y404 HydrophobicContact CG1-CE1 3.73Å; I336-Y404 WeakPolarHBondContact CG1-OH 3.42Å; C369-Y404 PolarHBondContact O-OH 2.92Å; A372-Y404 HydrophobicContact CB-CE2 3.93Å; V373-Y404 HydrophobicContact CG2-CE2 3.92Å; Q377-Y404 WeakPolarHBondContact O-CD2 3.49Å; Q377-Y404 WeakPolarHBondContact O-CE2 3.4Å; T379-Y404 HydrophobicContact CG2-CD1 4.45Å; T379-Y404 HydrophobicContact CG2-CG 4.13Å; T400-Y404 PolarHBondContact O-N 3.48Å; E402-Y404 VanDerWaalsContact C-N 3.27Å; E402-Y404 PolarHBondContact O-N 3.47Å; Y404-D406 VanDerWaalsContact C-N 3.26Å; Y404-D406 PolarHBondContact O-N 2.86Å; Y404-A407 WeakPolarHBondContact O-CA 3.41Å; Y404-A407 VanDerWaalsContact O-CB 3.3Å; Y404-A407 WeakPolarHBondContact O-CB 3.48Å; Y404-A407 PolarHBondContact O-N 3.47Å; Y404-V408 HydrophobicContact CD1-CG2 4.11Å; Y404-V408 HydrophobicContact CE1-CG2 3.58Å; Y404-V408 HydrophobicContact CE2-CG2 4.27Å; Y404-V408 WeakPolarHBondContact O-CG2 3.41Å; Y404-V408 PolarHBondContact O-N 3.01Å |
| 405 | M | 98.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.5 | -36.5 | 175.7 | -76.3 | -172 | -69.4 | 0 | 0 | 112.6 | Q32 I33 P335 T401 E402 A407 V408 K409 | Q32-M405 HydrophobicContact CB-CE 3.59Å; Q32-M405 HydrophobicContact CB-SD 4.02Å; Q32-M405 HydrophobicContact CG-CE 4.3Å; I33-M405 HydrophobicContact CG1-SD 3.87Å; P335-M405 HydrophobicContact CB-CG 4.36Å; P335-M405 HydrophobicContact CB-SD 4.45Å; P335-M405 HydrophobicContact CG-CG 3.91Å; T401-M405 HydrophobicContact CG2-CE 3.87Å; T401-M405 PolarHBondContact O-N 2.92Å; E402-M405 PolarHBondContact O-N 3.01Å; E402-M405 VanDerWaalsContact O-N 3.14Å; M405-A407 VanDerWaalsContact C-N 3.31Å; M405-A407 PolarHBondContact O-N 2.87Å; M405-V408 PolarHBondContact O-N 3.43Å; M405-K409 WeakPolarHBondContact O-CB 3.4Å; M405-K409 PolarHBondContact O-N 2.88Å |
| 406 | D | 98.4 | Very high | 96.6 | Very high | 51 Ų | 51 | 42 Ų | 42 | 27% | 0.273 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -67.3 | -33.3 | 173.9 | -67.8 | -21.2 | 0 | 0 | 0 | 111.7 | K36 E402 E403 Y404 K409 R410 | K36-D406 IonicContact NZ-OD1 3.44Å; K36-D406 PolarHBondContact NZ-OD1 2.77Å; K36-D406 IonicContact NZ-OD2 3.04Å; E402-D406 PolarHBondContact O-N 2.84Å; E403-D406 PolarHBondContact O-N 3.03Å; Y404-D406 VanDerWaalsContact C-N 3.26Å; Y404-D406 PolarHBondContact O-N 2.86Å; D406-K409 PolarHBondContact O-N 3.39Å; D406-R410 WeakPolarHBondContact O-CG 3.4Å; D406-R410 PolarHBondContact O-N 3.44Å; D406-R410 PolarHBondContact O-NH1 2.89Å |
| 407 | A | 98.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.1 | -46.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | A372 Q377 L399 E403 Y404 M405 K409 R410 K411 | A372-A407 HydrophobicContact CB-CB 4.36Å; Q377-A407 HydrophobicContact CB-CB 4.04Å; L399-A407 HydrophobicContact CD1-CB 4.31Å; E403-A407 PolarHBondContact O-N 3.48Å; Y404-A407 WeakPolarHBondContact O-CA 3.41Å; Y404-A407 VanDerWaalsContact O-CB 3.3Å; Y404-A407 WeakPolarHBondContact O-CB 3.48Å; Y404-A407 PolarHBondContact O-N 3.47Å; M405-A407 VanDerWaalsContact C-N 3.31Å; M405-A407 PolarHBondContact O-N 2.87Å; A407-K409 VanDerWaalsContact C-N 3.33Å; A407-K409 PolarHBondContact O-N 2.85Å; A407-R410 PolarHBondContact O-N 3.37Å; A407-K411 WeakPolarHBondContact O-CG 3.42Å; A407-K411 PolarHBondContact O-N 3.07Å; A407-K411 VanDerWaalsContact O-N 3.12Å |
| 408 | V | 98.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -57.2 | -47.4 | 173.6 | 176.7 | 0 | 0 | 0 | 0 | 110.5 | L37 L365 A368 A372 Y404 M405 R410 K411 L412 | L37-V408 HydrophobicContact CD1-CG1 4.18Å; L37-V408 HydrophobicContact CD2-CG1 4.25Å; L365-V408 HydrophobicContact CD1-CG1 3.64Å; A368-V408 HydrophobicContact CB-CG1 4.13Å; A372-V408 HydrophobicContact CB-CG2 4.36Å; Y404-V408 HydrophobicContact CD1-CG2 4.11Å; Y404-V408 HydrophobicContact CE1-CG2 3.58Å; Y404-V408 HydrophobicContact CE2-CG2 4.27Å; Y404-V408 WeakPolarHBondContact O-CG2 3.41Å; Y404-V408 PolarHBondContact O-N 3.01Å; M405-V408 PolarHBondContact O-N 3.43Å; V408-R410 PolarHBondContact O-N 3.03Å; V408-K411 PolarHBondContact O-N 3.09Å; V408-L412 WeakPolarHBondContact O-CB 3.32Å; V408-L412 PolarHBondContact O-N 3.2Å |
| 409 | K | 98.4 | Very high | 94.5 | Very high | 63 Ų | 63 | 49 Ų | 49 | 27% | 0.274 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -57.1 | -48.8 | 178.4 | -176.3 | 176 | 174.4 | 176.1 | 0 | 112.1 | L37 Y41 M405 D406 A407 K411 L412 E413 | L37-K409 HydrophobicContact CD2-CB 3.75Å; L37-K409 HydrophobicContact CD2-CG 4.37Å; Y41-K409 WeakPolarHBondContact OH-CE 3.1Å; M405-K409 WeakPolarHBondContact O-CB 3.4Å; M405-K409 PolarHBondContact O-N 2.88Å; D406-K409 PolarHBondContact O-N 3.39Å; A407-K409 VanDerWaalsContact C-N 3.33Å; A407-K409 PolarHBondContact O-N 2.85Å; K409-K411 VanDerWaalsContact C-N 3.3Å; K409-K411 PolarHBondContact O-N 3.33Å; K409-L412 WeakPolarHBondContact O-CB 3.42Å; K409-L412 PolarHBondContact O-N 3.39Å; K409-E413 WeakPolarHBondContact CE-OE1 3.47Å; K409-E413 HydrophobicContact CG-CG 4.45Å; K409-E413 WeakPolarHBondContact O-CG 3.48Å; K409-E413 PolarHBondContact O-N 2.76Å |
| 410 | R | 98.1 | Very high | 92.4 | Very high | 105 Ų | 105 | 54.1 Ų | 54.1 | 40% | 0.396 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -57.9 | -42.1 | 177.5 | -72.2 | -175 | -57.4 | -92.7 | 4.3 | 111.9 | D406 A407 V408 I414 | D406-R410 WeakPolarHBondContact O-CG 3.4Å; D406-R410 PolarHBondContact O-N 3.44Å; D406-R410 PolarHBondContact O-NH1 2.89Å; A407-R410 PolarHBondContact O-N 3.37Å; V408-R410 PolarHBondContact O-N 3.03Å; R410-I414 WeakPolarHBondContact O-CD1 3.41Å; R410-I414 VanDerWaalsContact O-CG1 3.28Å; R410-I414 WeakPolarHBondContact O-CG1 3.34Å; R410-I414 PolarHBondContact O-N 3.09Å; R410-I414 VanDerWaalsContact O-N 3.14Å |
| 411 | K | 98 | Very high | 92.1 | Very high | 43 Ų | 43 | 55.6 Ų | 55.6 | 19% | 0.187 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -66.2 | -44.3 | 177.3 | -68.4 | -66.3 | -176.6 | -178.7 | 0 | 112 | A368 D375 A407 V408 K409 I414 K415 | A368-K411 HydrophobicContact CB-CB 3.7Å; D375-K411 VanDerWaalsContact OD2-CE 3.23Å; D375-K411 WeakPolarHBondContact OD2-CE 3.4Å; D375-K411 IonicContact OD2-NZ 3.21Å; D375-K411 PolarHBondContact OD2-NZ 3.02Å; A407-K411 WeakPolarHBondContact O-CG 3.42Å; A407-K411 PolarHBondContact O-N 3.07Å; A407-K411 VanDerWaalsContact O-N 3.12Å; V408-K411 PolarHBondContact O-N 3.09Å; K409-K411 VanDerWaalsContact C-N 3.3Å; K409-K411 PolarHBondContact O-N 3.33Å; K411-I414 PolarHBondContact O-N 3.2Å; K411-K415 WeakPolarHBondContact O-CG 3.32Å; K411-K415 PolarHBondContact O-N 2.86Å; K411-K415 VanDerWaalsContact O-N 3.13Å |
| 412 | L | 98 | Very high | 91.9 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -58.2 | -48.1 | 175.4 | 174.7 | 63.4 | 0 | 0 | 0 | 111.2 | Y41 F361 H364 L365 A368 V408 K409 I414 K415 I416 | Y41-L412 HydrophobicContact CD2-CD2 3.99Å; Y41-L412 HydrophobicContact CE2-CD2 3.66Å; F361-L412 HydrophobicContact CD2-CD1 4.44Å; F361-L412 HydrophobicContact CE2-CD1 4.1Å; F361-L412 HydrophobicContact CE2-CD2 3.91Å; F361-L412 HydrophobicContact CE2-CG 4.48Å; F361-L412 HydrophobicContact CZ-CD2 4.1Å; H364-L412 HydrophobicContact CB-CD1 3.83Å; L365-L412 HydrophobicContact CB-CD1 4.19Å; L365-L412 HydrophobicContact CD1-CD2 4.21Å; A368-L412 HydrophobicContact CB-CB 4.15Å; V408-L412 WeakPolarHBondContact O-CB 3.32Å; V408-L412 PolarHBondContact O-N 3.2Å; K409-L412 WeakPolarHBondContact O-CB 3.42Å; K409-L412 PolarHBondContact O-N 3.39Å; L412-I414 VanDerWaalsContact C-N 3.35Å; L412-I414 PolarHBondContact O-N 2.68Å; L412-K415 WeakPolarHBondContact O-CB 3.4Å; L412-K415 PolarHBondContact O-N 2.93Å; L412-I416 HydrophobicContact CD1-CD1 3.84Å; L412-I416 HydrophobicContact CD1-CG1 4.14Å; L412-I416 HydrophobicContact CD2-CD1 4.38Å; L412-I416 HydrophobicContact CG-CD1 3.77Å; L412-I416 HydrophobicContact CG-CG1 4.43Å; L412-I416 WeakPolarHBondContact O-CG1 3.32Å; L412-I416 PolarHBondContact O-N 2.93Å |
| 413 | E | 96.5 | Very high | 91.6 | Very high | 42 Ų | 42 | 56.3 Ų | 56.3 | 20% | 0.196 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.5 | -41.8 | 179.9 | -73.4 | 174.6 | 167.9 | 0 | 0 | 111.8 | Y41 K409 K415 I416 H417 | Y41-E413 HydrophobicContact CE1-CG 4.29Å; Y41-E413 VanDerWaalsContact OH-CG 3.31Å; Y41-E413 WeakPolarHBondContact OH-CG 3.4Å; Y41-E413 PolarHBondContact OH-OE1 3.5Å; K409-E413 WeakPolarHBondContact CE-OE1 3.47Å; K409-E413 HydrophobicContact CG-CG 4.45Å; K409-E413 WeakPolarHBondContact O-CG 3.48Å; K409-E413 PolarHBondContact O-N 2.76Å; E413-K415 VanDerWaalsContact C-N 3.27Å; E413-K415 PolarHBondContact O-N 2.98Å; E413-I416 PolarHBondContact O-N 2.88Å; E413-H417 WeakPolarHBondContact O-CB 3.46Å; E413-H417 PolarHBondContact O-N 2.85Å; E413-H417 PolarHBondContact O-ND1 3.08Å |
| 414 | I | 95.7 | Very high | 91.2 | Very high | 86 Ų | 86 | 55 Ų | 55 | 44% | 0.441 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -58.6 | -41 | 173.8 | -68.1 | 163.2 | 0 | 0 | 0 | 111 | R410 K411 L412 K418 | R410-I414 WeakPolarHBondContact O-CD1 3.41Å; R410-I414 VanDerWaalsContact O-CG1 3.28Å; R410-I414 WeakPolarHBondContact O-CG1 3.34Å; R410-I414 PolarHBondContact O-N 3.09Å; R410-I414 VanDerWaalsContact O-N 3.14Å; K411-I414 PolarHBondContact O-N 3.2Å; L412-I414 VanDerWaalsContact C-N 3.35Å; L412-I414 PolarHBondContact O-N 2.68Å; I414-K418 HydrophobicContact CG2-CD 4.24Å; I414-K418 WeakPolarHBondContact O-CG 3.28Å; I414-K418 PolarHBondContact O-N 2.87Å |
| 415 | K | 94.5 | Very high | 90.8 | Very high | 34 Ų | 34 | 58.4 Ų | 58.4 | 15% | 0.148 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -68.2 | -39.2 | 178.9 | -70.2 | 173.8 | 179.7 | -73.9 | 0 | 112.5 | H364 D367 E371 K411 L412 E413 | H364-K415 HydrophobicContact CB-CB 4.23Å; H364-K415 HydrophobicContact CB-CD 3.97Å; H364-K415 WeakPolarHBondContact O-CD 3.22Å; D367-K415 HydrophobicContact CB-CD 4.46Å; E371-K415 VanDerWaalsContact CD-CE 3.47Å; E371-K415 WeakPolarHBondContact OE1-CE 3.32Å; E371-K415 IonicContact OE1-NZ 3.37Å; E371-K415 PolarHBondContact OE1-NZ 3.3Å; E371-K415 WeakPolarHBondContact OE2-CE 3.27Å; E371-K415 IonicContact OE2-NZ 2.84Å; E371-K415 PolarHBondContact OE2-NZ 3.15Å; K411-K415 WeakPolarHBondContact O-CG 3.32Å; K411-K415 PolarHBondContact O-N 2.86Å; K411-K415 VanDerWaalsContact O-N 3.13Å; L412-K415 WeakPolarHBondContact O-CB 3.4Å; L412-K415 PolarHBondContact O-N 2.93Å; E413-K415 VanDerWaalsContact C-N 3.27Å; E413-K415 PolarHBondContact O-N 2.98Å |
| 416 | I | 92 | Very high | 90.3 | Very high | 27 Ų | 27 | 62.3 Ų | 62.3 | 14% | 0.138 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -67.8 | -45.8 | 177.6 | -65.2 | 169.6 | 0 | 0 | 0 | 110.5 | L8 Y41 F361 L412 E413 K418 Q419 | L8-I416 HydrophobicContact CD1-CG2 3.76Å; L8-I416 HydrophobicContact CD2-CG2 4.23Å; Y41-I416 HydrophobicContact CD1-CD1 3.67Å; Y41-I416 HydrophobicContact CE1-CD1 3.92Å; Y41-I416 HydrophobicContact CG-CD1 4.24Å; F361-I416 HydrophobicContact CD2-CD1 4.24Å; F361-I416 HydrophobicContact CE2-CD1 4.17Å; L412-I416 HydrophobicContact CD1-CD1 3.84Å; L412-I416 HydrophobicContact CD1-CG1 4.14Å; L412-I416 HydrophobicContact CD2-CD1 4.38Å; L412-I416 HydrophobicContact CG-CD1 3.77Å; L412-I416 HydrophobicContact CG-CG1 4.43Å; L412-I416 WeakPolarHBondContact O-CG1 3.32Å; L412-I416 PolarHBondContact O-N 2.93Å; E413-I416 PolarHBondContact O-N 2.88Å; I416-K418 VanDerWaalsContact C-N 3.35Å; I416-K418 PolarHBondContact O-N 3.07Å; I416-Q419 PolarHBondContact O-N 2.96Å |
| 417 | H | 86.9 | Confident | 89.7 | Confident | 73 Ų | 73 | 63.1 Ų | 63.1 | 34% | 0.338 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -70.1 | -25.4 | -178.1 | -73.1 | 85.1 | 0 | 0 | 0 | 114.2 | T6 E413 Q419 T420 | T6-H417 PolarHBondContact OG1-NE2 3.27Å; E413-H417 WeakPolarHBondContact O-CB 3.46Å; E413-H417 PolarHBondContact O-N 2.85Å; E413-H417 PolarHBondContact O-ND1 3.08Å; H417-Q419 PolarHBondContact O-N 3.47Å; H417-T420 PolarHBondContact O-OG1 2.73Å; H417-T420 VanDerWaalsContact O-OG1 3.05Å |
| 418 | K | 81.7 | Confident | 89.1 | Confident | 169 Ų | 169 | 68 Ų | 68 | 74% | 0.735 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -7.9 | 174.2 | -79.3 | 178.7 | 179.1 | -178.6 | 0 | 113.5 | I414 I416 | I414-K418 HydrophobicContact CG2-CD 4.24Å; I414-K418 WeakPolarHBondContact O-CG 3.28Å; I414-K418 PolarHBondContact O-N 2.87Å; I416-K418 VanDerWaalsContact C-N 3.35Å; I416-K418 PolarHBondContact O-N 3.07Å |
| 419 | Q | 65.8 | Low | 88.3 | Confident | 99 Ų | 99 | 73.7 Ų | 73.7 | 46% | 0.463 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.2 | -21.3 | -177.9 | -66.3 | -169.8 | -12 | 0 | 0 | 114.3 | H364 I416 H417 | H364-Q419 PolarHBondContact CE1-NE2 3.23Å; H364-Q419 PolarHBondContact CE1-OE1 3.08Å; H364-Q419 PolarHBondContact NE2-NE2 3.42Å; I416-Q419 PolarHBondContact O-N 2.96Å; H417-Q419 PolarHBondContact O-N 3.47Å |
| 420 | T | 53.6 | Low | 87.3 | Confident | 143 Ų | 143 | 74.6 Ų | 74.6 | 88% | 0.877 | 36% | 0.356 | S | S | * | . | trans | -82.7 | 0 | 167.7 | 54.7 | 0 | 0 | 0 | 0 | 109.7 | L8 H417 | L8-T420 HydrophobicContact CD2-CG2 4.11Å; H417-T420 PolarHBondContact O-OG1 2.73Å; H417-T420 VanDerWaalsContact O-OG1 3.05Å |
Retrieved 420 of 420 residues in 401.1 ms
(Link to these results)