| 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 | 59.3 | Low | 80.9 | Confident | 55 Ų | 55 | 82 Ų | 82 | 27% | 0.271 | 45% | 0.45 | S | S | . | . | 0 | 147.7 | 0 | -154.1 | -178.8 | -70.6 | 0 | 0 | 107.8 | G3 E4 Y6 E159 M351 | M1-G3 PolarHBondContact O-N 3.29Å; M1-E4 PolarHBondContact N-O 3.17Å; M1-E4 PolarHBondContact O-N 3.11Å; M1-E4 VanDerWaalsContact O-O 3.1Å; M1-Y6 HydrophobicContact CE-CD1 4.41Å; M1-Y6 HydrophobicContact CE-CE1 4.33Å; M1-E159 HydrophobicContact CE-CB 3.75Å; M1-E159 HydrophobicContact CE-CG 3.96Å; M1-E159 HydrophobicContact SD-CB 4.39Å; M1-M351 HydrophobicContact CB-CE 4.09Å; M1-M351 HydrophobicContact CB-SD 4.42Å; M1-M351 WeakPolarHBondContact O-CE 3.41Å | |||
| 2 | Y | 69 | Low | 82.1 | Confident | 167 Ų | 167 | 82.6 Ų | 82.6 | 66% | 0.655 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.3 | 28.5 | 176.4 | -50.1 | -64.3 | 0 | 0 | 0 | 118.1 | M351 | Y2-M351 HydrophobicContact CD2-CE 4.11Å; Y2-M351 HydrophobicContact CD2-SD 3.71Å; Y2-M351 HydrophobicContact CE2-SD 4.33Å |
| 3 | G | 68.1 | Low | 83.2 | Confident | 85 Ų | 85 | 78.3 Ų | 78.3 | 88% | 0.876 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94.9 | -7.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | M1 | M1-G3 PolarHBondContact O-N 3.29Š|
| 4 | E | 72.3 | Confident | 84.1 | Confident | 135 Ų | 135 | 81.4 Ų | 81.4 | 63% | 0.631 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -106.7 | 148.7 | 172.3 | -62.7 | -151.2 | 172.6 | 0 | 0 | 111.5 | M1 Y6 M351 | M1-E4 PolarHBondContact N-O 3.17Å; M1-E4 PolarHBondContact O-N 3.11Å; M1-E4 VanDerWaalsContact O-O 3.1Å; E4-Y6 PolarHBondContact O-N 2.9Å; E4-M351 HydrophobicContact CB-CE 4.37Å |
| 5 | P | 75.4 | Confident | 85 | Confident | 85 Ų | 85 | 77 Ų | 77 | 55% | 0.552 | 40% | 0.401 | S | S | * | . | trans | -64 | 118.9 | 174.3 | 27 | -32.2 | 0 | 0 | 0 | 108.6 | R353 | P5-R353 WeakPolarHBondContact O-CG 3.45Š| ||
| 6 | Y | 85.3 | Confident | 85.8 | Confident | 18 Ų | 18 | 75.9 Ų | 75.9 | 7% | 0.071 | 40% | 0.399 | C | S | . | . | S | Bend | trans | -92.7 | -56.9 | 173.9 | 177.3 | -110.6 | 0 | 0 | 0 | 108.9 | M1 E4 S98 E101 E159 S352 R353 F354 | M1-Y6 HydrophobicContact CE-CD1 4.41Å; M1-Y6 HydrophobicContact CE-CE1 4.33Å; E4-Y6 PolarHBondContact O-N 2.9Å; Y6-S98 PolarHBondContact OH-OG 2.91Å; Y6-E101 HydrophobicContact CD1-CG 4.33Å; Y6-E101 HydrophobicContact CE1-CG 3.65Å; Y6-E101 WeakPolarHBondContact CE1-OE1 3.44Å; Y6-E159 PolarHBondContact OH-OE1 2.89Å; Y6-S352 WeakPolarHBondContact CD2-O 3.16Å; Y6-S352 WeakPolarHBondContact CE2-O 3.24Å; Y6-R353 CarbonylContact O-C 3.46Å; Y6-R353 WeakPolarHBondContact O-CA 3.45Å; Y6-F354 PolarHBondContact O-N 3.15Å |
| 7 | W | 91.1 | Very high | 86.4 | Confident | 55 Ų | 55 | 74.6 Ų | 74.6 | 21% | 0.208 | 39% | 0.392 | C | S | . | . | B | Isolated β-bridge | trans | -78.1 | 128 | 165.9 | -178.3 | -100.2 | 0 | 0 | 0 | 110.8 | E9 E101 F105 Q106 W109 F354 P356 | W7-E9 PolarHBondContact NE1-OE1 3.01Å; W7-E101 HydrophobicContact CE3-CB 4.49Å; W7-F105 HydrophobicContact CE3-CB 4.21Å; W7-F105 HydrophobicContact CH2-CB 4.43Å; W7-F105 HydrophobicContact CZ3-CB 4.14Å; W7-Q106 VanDerWaalsContact CH2-CA 3.42Å; W7-Q106 HydrophobicContact CH2-CB 3.62Å; W7-Q106 HydrophobicContact CH2-CG 4.18Å; W7-Q106 HydrophobicContact CZ3-CB 4.04Å; W7-W109 HydrophobicContact CZ2-CB 3.77Å; W7-W109 HydrophobicContact CZ2-CG 4.02Å; W7-F354 HydrophobicContact CE3-CB 4.19Å; W7-F354 AromaticContact CE3-CD1 3.61Å; W7-F354 HydrophobicContact CE3-CD1 3.61Å; W7-F354 HydrophobicContact CE3-CE1 4.33Å; W7-F354 HydrophobicContact CE3-CG 4.12Å; W7-F354 HydrophobicContact CH2-CD1 4.11Å; W7-F354 HydrophobicContact CH2-CE1 4.23Å; W7-F354 AromaticContact CZ3-CD1 3.2Å; W7-F354 HydrophobicContact CZ3-CD1 3.2Å; W7-F354 AromaticContact CZ3-CE1 3.5Å; W7-F354 HydrophobicContact CZ3-CE1 3.5Å; W7-F354 HydrophobicContact CZ3-CG 4.1Å; W7-P356 HydrophobicContact CH2-CB 3.89Å; W7-P356 HydrophobicContact CH2-CG 4.47Å; W7-P356 HydrophobicContact CZ2-CB 3.99Å; W7-P356 HydrophobicContact CZ2-CG 4.21Å |
| 8 | C | 91.9 | Very high | 87 | Confident | 9 Ų | 9 | 73.9 Ų | 73.9 | 6% | 0.061 | 40% | 0.399 | C | S | . | . | trans | -120.2 | 133 | -179.8 | -64.7 | 0 | 0 | 0 | 0 | 111.2 | R353 F354 Y355 P356 | C8-R353 VanDerWaalsContact SG-CG 3.59Å; C8-F354 PolarHBondContact N-O 2.92Å; C8-Y355 HydrophobicContact CB-CD1 3.98Å; C8-Y355 HydrophobicContact CB-CD2 4.27Å; C8-Y355 HydrophobicContact CB-CE1 3.55Å; C8-Y355 HydrophobicContact CB-CE2 3.87Å; C8-Y355 HydrophobicContact CB-CG 4.32Å; C8-Y355 VanDerWaalsContact CB-CZ 3.48Å; C8-P356 WeakPolarHBondContact O-CD 3.38Å | ||
| 9 | E | 92 | Very high | 87.6 | Confident | 115 Ų | 115 | 72.4 Ų | 72.4 | 54% | 0.537 | 39% | 0.389 | S | S | . | . | trans | -121.6 | 8.5 | 179.5 | -58.5 | -174.8 | 171.7 | 0 | 0 | 112.6 | W7 A11 | W7-E9 PolarHBondContact NE1-OE1 3.01Å; E9-A11 VanDerWaalsContact C-N 3.25Å; E9-A11 PolarHBondContact O-N 3.33Å | ||
| 10 | D | 91.2 | Very high | 88.1 | Confident | 130 Ų | 130 | 69.1 Ų | 69.1 | 70% | 0.695 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -76 | -15.6 | 178.8 | 64.5 | -34.2 | 0 | 0 | 0 | 113 | Y355 | D10-Y355 WeakPolarHBondContact OD1-CE1 3.44Å; D10-Y355 PolarHBondContact OD1-OH 3.32Å |
| 11 | A | 93.8 | Very high | 88.6 | Confident | 48 Ų | 48 | 70.8 Ų | 70.8 | 40% | 0.397 | 38% | 0.377 | S | S | . | . | trans | -149.1 | 170.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | E9 Y355 | E9-A11 VanDerWaalsContact C-N 3.25Å; E9-A11 PolarHBondContact O-N 3.33Å; A11-Y355 HydrophobicContact CB-CD1 4.21Å; A11-Y355 HydrophobicContact CB-CE1 3.97Å; A11-Y355 WeakPolarHBondContact O-CD1 3.35Å | ||
| 12 | Y | 95.6 | Very high | 90.5 | Very high | 89 Ų | 89 | 70.6 Ų | 70.6 | 35% | 0.349 | 38% | 0.375 | S | S | . | . | trans | -147.7 | 158.5 | 170.9 | 65.9 | -89.6 | 0 | 0 | 0 | 109.6 | K14 W109 L119 P356 I358 | Y12-K14 HydrophobicContact CE2-CB 4.29Å; Y12-W109 HydrophobicContact CD1-CH2 4.24Å; Y12-W109 HydrophobicContact CD1-CZ2 4.02Å; Y12-W109 HydrophobicContact CD2-CH2 4.16Å; Y12-W109 AromaticContact CG-CH2 3.75Å; Y12-W109 HydrophobicContact CG-CH2 3.75Å; Y12-W109 AromaticContact CG-CZ2 3.89Å; Y12-W109 HydrophobicContact CG-CZ2 3.89Å; Y12-L119 HydrophobicContact CE1-CD2 4.14Å; Y12-L119 HydrophobicContact CE2-CD2 4.36Å; Y12-P356 VanDerWaalsContact CA-O 3.32Å; Y12-P356 WeakPolarHBondContact CA-O 3.28Å; Y12-P356 WeakPolarHBondContact CB-O 3.48Å; Y12-I358 HydrophobicContact CD2-CD1 4.23Å; Y12-I358 HydrophobicContact CD2-CG1 3.93Å; Y12-I358 HydrophobicContact CE2-CD1 3.55Å; Y12-I358 HydrophobicContact CE2-CG1 3.73Å | ||
| 13 | Y | 96.5 | Very high | 91.9 | Very high | 27 Ų | 27 | 62.6 Ų | 62.6 | 11% | 0.106 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 137.6 | 174.5 | -75.6 | -94.6 | 0 | 0 | 0 | 111 | F319 M324 I340 E342 Y355 P356 H357 I358 | Y13-F319 AromaticContact CE1-CD2 3.81Å; Y13-F319 HydrophobicContact CE1-CD2 3.81Å; Y13-F319 HydrophobicContact CE1-CE1 4.37Å; Y13-F319 AromaticContact CE1-CE2 3.65Å; Y13-F319 HydrophobicContact CE1-CE2 3.65Å; Y13-F319 HydrophobicContact CE1-CG 4.25Å; Y13-F319 AromaticContact CE1-CZ 3.95Å; Y13-F319 HydrophobicContact CE1-CZ 3.95Å; Y13-F319 WeakPolarHBondContact OH-CD2 3.21Å; Y13-M324 HydrophobicContact CD1-CE 4.01Å; Y13-M324 HydrophobicContact CD1-SD 4.36Å; Y13-M324 HydrophobicContact CE1-CE 3.93Å; Y13-M324 HydrophobicContact CE1-CG 3.88Å; Y13-M324 HydrophobicContact CE1-SD 3.75Å; Y13-M324 HydrophobicContact CE2-CG 4.48Å; Y13-M324 WeakPolarHBondContact OH-CG 3.13Å; Y13-I340 VanDerWaalsContact CB-CD1 3.4Å; Y13-I340 HydrophobicContact CD1-CD1 4.25Å; Y13-I340 HydrophobicContact CD2-CB 4.18Å; Y13-I340 HydrophobicContact CD2-CD1 3.71Å; Y13-I340 HydrophobicContact CD2-CG2 3.62Å; Y13-I340 HydrophobicContact CE2-CB 4.43Å; Y13-I340 HydrophobicContact CE2-CG2 3.44Å; Y13-I340 VanDerWaalsContact CE2-CG2 3.44Å; Y13-I340 HydrophobicContact CG-CD1 3.52Å; Y13-I340 HydrophobicContact CG-CG2 4.26Å; Y13-E342 HydrophobicContact CE2-CG 4.46Å; Y13-E342 WeakPolarHBondContact CE2-OE1 3.48Å; Y13-E342 VanDerWaalsContact CZ-OE1 3.31Å; Y13-E342 PolarHBondContact OH-OE1 2.94Å; Y13-Y355 HydrophobicContact CE2-CG 4.31Å; Y13-P356 PolarHBondContact N-O 3.45Å; Y13-H357 CarbonylContact O-C 3.59Å; Y13-H357 VanDerWaalsContact O-CA 3.26Å; Y13-H357 WeakPolarHBondContact O-CA 3.44Å; Y13-I358 PolarHBondContact O-N 3.22Å |
| 14 | K | 96.4 | Very high | 93.3 | Very high | 121 Ų | 121 | 62 Ų | 62 | 53% | 0.526 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 117 | 175.9 | -178.2 | -178.1 | 176.1 | -179.6 | 0 | 109.4 | Y12 I358 V360 | Y12-K14 HydrophobicContact CE2-CB 4.29Å; K14-I358 HydrophobicContact CB-CG1 4.29Å; K14-I358 HydrophobicContact CG-CD1 4.31Å; K14-I358 HydrophobicContact CG-CG1 4.21Å; K14-V360 HydrophobicContact CD-CG2 4.47Å |
| 15 | L | 97.6 | Very high | 94.5 | Very high | 16 Ų | 16 | 62 Ų | 62 | 8% | 0.084 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 160.8 | 173.7 | -66 | 87 | 0 | 0 | 0 | 110.4 | Q19 V20 L23 I338 H357 I358 F359 V360 | L15-Q19 HydrophobicContact CB-CB 4.3Å; L15-Q19 HydrophobicContact CD2-CB 4.33Å; L15-V20 HydrophobicContact CB-CG2 4.22Å; L15-V20 HydrophobicContact CD2-CG2 4.36Å; L15-L23 HydrophobicContact CD2-CD1 3.78Å; L15-I338 HydrophobicContact CD1-CD1 4.31Å; L15-I338 HydrophobicContact CD2-CD1 3.98Å; L15-H357 HydrophobicContact CD1-CB 3.97Å; L15-I358 PolarHBondContact N-O 3.29Å; L15-F359 HydrophobicContact CB-CB 4.14Å; L15-F359 VanDerWaalsContact O-CA 3.26Å; L15-F359 WeakPolarHBondContact O-CA 3.4Å; L15-V360 PolarHBondContact O-N 2.67Å; L15-V360 VanDerWaalsContact O-N 3.07Å |
| 16 | T | 97.2 | Very high | 95.7 | Very high | 60 Ų | 60 | 58 Ų | 58 | 37% | 0.368 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 159.2 | 161.8 | 67 | 0 | 0 | 0 | 0 | 110.3 | A18 Q19 V20 V360 | T16-A18 VanDerWaalsContact C-N 3.25Å; T16-A18 PolarHBondContact O-N 3.15Å; T16-Q19 WeakPolarHBondContact O-CB 3.46Å; T16-Q19 PolarHBondContact O-N 3.22Å; T16-Q19 WeakPolarHBondContact OG1-CG 3.24Å; T16-Q19 PolarHBondContact OG1-N 3.25Å; T16-V20 PolarHBondContact O-N 2.87Å; T16-V20 VanDerWaalsContact O-N 3.1Å; T16-V360 CarbonylContact C-O 3.56Å; T16-V360 WeakPolarHBondContact CA-O 3.4Å |
| 17 | L | 96.6 | Very high | 96.3 | Very high | 53 Ų | 53 | 57.2 Ų | 57.2 | 28% | 0.277 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -53.4 | -44.5 | 172.3 | 179.1 | 60.8 | 0 | 0 | 0 | 111.8 | Q19 V20 E21 F359 V360 E361 | L17-Q19 PolarHBondContact O-N 3.02Å; L17-V20 WeakPolarHBondContact O-CA 3.5Å; L17-V20 WeakPolarHBondContact O-CB 3.35Å; L17-V20 PolarHBondContact O-N 2.77Å; L17-E21 HydrophobicContact CD1-CG 4.33Å; L17-E21 HydrophobicContact CG-CG 4.38Å; L17-E21 WeakPolarHBondContact O-CG 3.44Å; L17-E21 PolarHBondContact O-N 2.95Å; L17-F359 HydrophobicContact CB-CD2 4.43Å; L17-F359 HydrophobicContact CD1-CD2 4.29Å; L17-F359 HydrophobicContact CD1-CE2 3.97Å; L17-V360 PolarHBondContact N-O 3.36Å; L17-E361 HydrophobicContact CD2-CG 4.33Å |
| 18 | A | 97.3 | Very high | 96.7 | Very high | 63 Ų | 63 | 56.2 Ų | 56.2 | 52% | 0.521 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60.5 | -29.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | T16 K22 | T16-A18 VanDerWaalsContact C-N 3.25Å; T16-A18 PolarHBondContact O-N 3.15Å; A18-K22 WeakPolarHBondContact O-CB 3.24Å; A18-K22 PolarHBondContact O-N 2.89Å; A18-K22 VanDerWaalsContact O-N 3.13Å |
| 19 | Q | 98.1 | Very high | 97 | Very high | 45 Ų | 45 | 60 Ų | 60 | 21% | 0.21 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -75 | -36 | 174.8 | -73.3 | 171.9 | -33.6 | 0 | 0 | 112.1 | L15 T16 L17 L23 W80 G82 | L15-Q19 HydrophobicContact CB-CB 4.3Å; L15-Q19 HydrophobicContact CD2-CB 4.33Å; T16-Q19 WeakPolarHBondContact O-CB 3.46Å; T16-Q19 PolarHBondContact O-N 3.22Å; T16-Q19 WeakPolarHBondContact OG1-CG 3.24Å; T16-Q19 PolarHBondContact OG1-N 3.25Å; L17-Q19 PolarHBondContact O-N 3.02Å; Q19-L23 WeakPolarHBondContact O-CG 3.4Å; Q19-L23 PolarHBondContact O-N 3.01Å; Q19-L23 VanDerWaalsContact O-N 3.09Å; Q19-W80 HydrophobicContact CB-CH2 3.73Å; Q19-W80 HydrophobicContact CB-CZ3 3.99Å; Q19-W80 HydrophobicContact CG-CH2 3.76Å; Q19-W80 HydrophobicContact CG-CZ3 4.33Å; Q19-G82 PolarHBondContact NE2-O 2.97Å |
| 20 | V | 98.2 | Very high | 97.3 | Very high | 5 Ų | 5 | 54.6 Ų | 54.6 | 3% | 0.03 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.5 | -51.3 | 172.3 | 169.9 | 0 | 0 | 0 | 0 | 110.5 | L15 T16 L17 K22 L23 E24 F126 F359 | L15-V20 HydrophobicContact CB-CG2 4.22Å; L15-V20 HydrophobicContact CD2-CG2 4.36Å; T16-V20 PolarHBondContact O-N 2.87Å; T16-V20 VanDerWaalsContact O-N 3.1Å; L17-V20 WeakPolarHBondContact O-CA 3.5Å; L17-V20 WeakPolarHBondContact O-CB 3.35Å; L17-V20 PolarHBondContact O-N 2.77Å; V20-K22 PolarHBondContact O-N 2.78Å; V20-L23 WeakPolarHBondContact O-CA 3.36Å; V20-L23 WeakPolarHBondContact O-CB 3.27Å; V20-L23 PolarHBondContact O-N 3.39Å; V20-E24 PolarHBondContact O-N 3.48Å; V20-F126 HydrophobicContact CG1-CB 3.67Å; V20-F126 HydrophobicContact CG1-CD1 3.96Å; V20-F126 HydrophobicContact CG1-CD2 3.96Å; V20-F126 HydrophobicContact CG1-CG 3.59Å; V20-F126 HydrophobicContact CG2-CB 4.03Å; V20-F359 HydrophobicContact CG2-CB 3.6Å; V20-F359 HydrophobicContact CG2-CD1 3.99Å; V20-F359 HydrophobicContact CG2-CG 3.86Å |
| 21 | E | 97.7 | Very high | 97.7 | Very high | 105 Ų | 105 | 48.4 Ų | 48.4 | 49% | 0.491 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -56.8 | -40.1 | 178.2 | -68.9 | 175.5 | 148.8 | 0 | 0 | 111.5 | L17 E24 E25 | L17-E21 HydrophobicContact CD1-CG 4.33Å; L17-E21 HydrophobicContact CG-CG 4.38Å; L17-E21 WeakPolarHBondContact O-CG 3.44Å; L17-E21 PolarHBondContact O-N 2.95Å; E21-E24 PolarHBondContact O-N 3.3Å; E21-E25 WeakPolarHBondContact O-CB 3.34Å; E21-E25 PolarHBondContact O-N 2.78Å |
| 22 | K | 98.4 | Very high | 97.9 | Very high | 51 Ų | 51 | 50.7 Ų | 50.7 | 22% | 0.222 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.8 | -42.6 | 175.2 | -178 | 61.7 | 173.9 | 178.6 | 0 | 112.2 | A18 V20 V26 W80 E85 | A18-K22 WeakPolarHBondContact O-CB 3.24Å; A18-K22 PolarHBondContact O-N 2.89Å; A18-K22 VanDerWaalsContact O-N 3.13Å; V20-K22 PolarHBondContact O-N 2.78Å; K22-V26 HydrophobicContact CD-CG2 4.09Å; K22-V26 WeakPolarHBondContact O-CB 3.41Å; K22-V26 VanDerWaalsContact O-CG2 3.26Å; K22-V26 WeakPolarHBondContact O-CG2 3.24Å; K22-V26 PolarHBondContact O-N 3.39Å; K22-W80 HydrophobicContact CB-CH2 4.15Å; K22-W80 HydrophobicContact CG-CH2 4.09Å; K22-W80 HydrophobicContact CG-CZ2 4.04Å; K22-E85 WeakPolarHBondContact CE-OE2 3.34Å; K22-E85 IonicContact NZ-OE1 2.86Å; K22-E85 PolarHBondContact NZ-OE1 3.43Å; K22-E85 IonicContact NZ-OE2 2.76Å; K22-E85 PolarHBondContact NZ-OE2 2.8Å |
| 23 | L | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65.6 | -41.8 | 176.6 | -75.3 | 168.7 | 0 | 0 | 0 | 111.2 | L15 Q19 V20 T27 L78 W80 P86 I326 I338 | L15-L23 HydrophobicContact CD2-CD1 3.78Å; Q19-L23 WeakPolarHBondContact O-CG 3.4Å; Q19-L23 PolarHBondContact O-N 3.01Å; Q19-L23 VanDerWaalsContact O-N 3.09Å; V20-L23 WeakPolarHBondContact O-CA 3.36Å; V20-L23 WeakPolarHBondContact O-CB 3.27Å; V20-L23 PolarHBondContact O-N 3.39Å; L23-T27 WeakPolarHBondContact O-CB 3.35Å; L23-T27 PolarHBondContact O-N 2.91Å; L23-T27 PolarHBondContact O-OG1 3.01Å; L23-L78 HydrophobicContact CD2-CD1 3.99Å; L23-W80 HydrophobicContact CD1-CE3 4.14Å; L23-W80 HydrophobicContact CD1-CZ3 3.83Å; L23-W80 HydrophobicContact CD2-CE3 3.73Å; L23-W80 HydrophobicContact CD2-CZ3 3.96Å; L23-W80 HydrophobicContact CG-CE3 3.92Å; L23-W80 HydrophobicContact CG-CZ3 3.6Å; L23-P86 HydrophobicContact CD2-CG 4.17Å; L23-I326 HydrophobicContact CD1-CD1 4.37Å; L23-I326 HydrophobicContact CD2-CD1 4.22Å; L23-I326 HydrophobicContact CD2-CG2 4.46Å; L23-I338 HydrophobicContact CD1-CD1 4.07Å; L23-I338 HydrophobicContact CD1-CG2 4.29Å |
| 24 | E | 98.3 | Very high | 98.2 | Very high | 71 Ų | 71 | 45.6 Ų | 45.6 | 33% | 0.332 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -57.3 | -52.6 | 174.8 | -74.4 | -173.8 | 115.7 | 0 | 0 | 111.6 | V20 E21 T27 A28 F126 P335 | V20-E24 PolarHBondContact O-N 3.48Å; E21-E24 PolarHBondContact O-N 3.3Å; E24-T27 PolarHBondContact O-N 2.95Å; E24-A28 PolarHBondContact O-N 3.16Å; E24-F126 HydrophobicContact CG-CD2 4.36Å; E24-F126 HydrophobicContact CG-CE1 3.79Å; E24-F126 HydrophobicContact CG-CE2 3.56Å; E24-F126 HydrophobicContact CG-CZ 3.25Å; E24-F126 WeakPolarHBondContact OE1-CE2 3.37Å; E24-P335 HydrophobicContact CB-CB 4.32Å; E24-P335 HydrophobicContact CG-CB 4.23Å; E24-P335 VanDerWaalsContact O-CG 3.23Å; E24-P335 WeakPolarHBondContact O-CG 3.49Å |
| 25 | E | 98.5 | Very high | 98.3 | Very high | 136 Ų | 136 | 40.6 Ų | 40.6 | 64% | 0.636 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -62.4 | -47.9 | -176.9 | -163.4 | 178.1 | -153.2 | 0 | 0 | 111.7 | E21 T27 A28 E29 | E21-E25 WeakPolarHBondContact O-CB 3.34Å; E21-E25 PolarHBondContact O-N 2.78Å; E25-T27 VanDerWaalsContact C-N 3.34Å; E25-T27 PolarHBondContact O-N 3.23Å; E25-A28 PolarHBondContact O-N 3.21Å; E25-E29 WeakPolarHBondContact O-CB 3.44Å; E25-E29 PolarHBondContact O-N 2.98Å |
| 26 | V | 98.7 | Very high | 98.3 | Very high | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.012 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.6 | -38.5 | 178.4 | 170.6 | 0 | 0 | 0 | 0 | 111.5 | K22 E29 L30 P86 N257 | K22-V26 HydrophobicContact CD-CG2 4.09Å; K22-V26 WeakPolarHBondContact O-CB 3.41Å; K22-V26 VanDerWaalsContact O-CG2 3.26Å; K22-V26 WeakPolarHBondContact O-CG2 3.24Å; K22-V26 PolarHBondContact O-N 3.39Å; V26-E29 PolarHBondContact O-N 3.11Å; V26-L30 HydrophobicContact CG1-CD1 3.63Å; V26-L30 HydrophobicContact CG1-CG 4.1Å; V26-L30 VanDerWaalsContact O-CB 3.3Å; V26-L30 WeakPolarHBondContact O-CB 3.31Å; V26-L30 WeakPolarHBondContact O-CG 3.49Å; V26-L30 PolarHBondContact O-N 2.76Å; V26-P86 HydrophobicContact CB-CG 4.46Å; V26-P86 HydrophobicContact CG1-CB 4.2Å; V26-P86 HydrophobicContact CG1-CG 4.29Å; V26-P86 HydrophobicContact CG2-CG 4.25Å; V26-N257 HydrophobicContact CG1-CB 4.04Å |
| 27 | T | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.6 | -45 | 178.6 | -62.4 | 0 | 0 | 0 | 0 | 111.1 | L23 E24 E25 H31 L76 S328 L330 P335 | L23-T27 WeakPolarHBondContact O-CB 3.35Å; L23-T27 PolarHBondContact O-N 2.91Å; L23-T27 PolarHBondContact O-OG1 3.01Å; E24-T27 PolarHBondContact O-N 2.95Å; E25-T27 VanDerWaalsContact C-N 3.34Å; E25-T27 PolarHBondContact O-N 3.23Å; T27-H31 WeakPolarHBondContact O-CB 3.22Å; T27-H31 PolarHBondContact O-N 3.21Å; T27-H31 VanDerWaalsContact O-N 3.07Å; T27-L76 HydrophobicContact CG2-CD1 4.06Å; T27-S328 WeakPolarHBondContact CG2-OG 3.43Å; T27-S328 WeakPolarHBondContact OG1-CB 3.44Å; T27-S328 PolarHBondContact OG1-OG 3.07Å; T27-L330 HydrophobicContact CG2-CD1 3.57Å; T27-L330 HydrophobicContact CG2-CD2 4.04Å; T27-L330 HydrophobicContact CG2-CG 3.64Å; T27-P335 HydrophobicContact CG2-CB 4.22Å; T27-P335 HydrophobicContact CG2-CG 4.16Å |
| 28 | A | 98.7 | Very high | 98.5 | Very high | 34 Ų | 34 | 38.7 Ų | 38.7 | 28% | 0.281 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -63.2 | -45.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | E24 E25 H31 Q32 P335 | E24-A28 PolarHBondContact O-N 3.16Å; E25-A28 PolarHBondContact O-N 3.21Å; A28-H31 PolarHBondContact O-N 3.39Å; A28-Q32 WeakPolarHBondContact O-CG 3.44Å; A28-Q32 PolarHBondContact O-N 2.73Å; A28-Q32 VanDerWaalsContact O-N 3.11Å; A28-P335 HydrophobicContact CB-CG 3.85Å |
| 29 | E | 98.8 | Very high | 98.5 | Very high | 89 Ų | 89 | 39.6 Ų | 39.6 | 42% | 0.416 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -62.5 | -50.2 | 179.3 | -178.4 | 173 | -149.5 | 0 | 0 | 112 | E25 V26 H31 Q32 M33 H255 | E25-E29 WeakPolarHBondContact O-CB 3.44Å; E25-E29 PolarHBondContact O-N 2.98Å; V26-E29 PolarHBondContact O-N 3.11Å; E29-H31 VanDerWaalsContact C-N 3.27Å; E29-H31 PolarHBondContact O-N 3.36Å; E29-Q32 PolarHBondContact O-N 2.99Å; E29-Q32 VanDerWaalsContact O-N 3.14Å; E29-M33 HydrophobicContact CG-SD 4.05Å; E29-M33 WeakPolarHBondContact O-CG 3.19Å; E29-M33 PolarHBondContact O-N 3.27Å; E29-H255 IonicContact OE1-NE2 3.29Å; E29-H255 PolarHBondContact OE1-NE2 2.88Å; E29-H255 IonicContact OE2-CE1 3.76Å; E29-H255 IonicContact OE2-NE2 3.77Å |
| 30 | L | 98.8 | Very high | 98.6 | Very high | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.2 | -39 | 178.5 | -73.5 | 173.8 | 0 | 0 | 0 | 111.8 | V26 M33 C34 L76 L78 L88 N257 L258 | V26-L30 HydrophobicContact CG1-CD1 3.63Å; V26-L30 HydrophobicContact CG1-CG 4.1Å; V26-L30 VanDerWaalsContact O-CB 3.3Å; V26-L30 WeakPolarHBondContact O-CB 3.31Å; V26-L30 WeakPolarHBondContact O-CG 3.49Å; V26-L30 PolarHBondContact O-N 2.76Å; L30-M33 HydrophobicContact CD2-SD 4.14Å; L30-M33 PolarHBondContact O-N 3.07Å; L30-C34 PolarHBondContact O-N 2.85Å; L30-C34 PolarHBondContact O-SG 2.82Å; L30-L76 HydrophobicContact CB-CD1 3.74Å; L30-L76 HydrophobicContact CD1-CD1 4.1Å; L30-L78 HydrophobicContact CD1-CD2 3.81Å; L30-L88 HydrophobicContact CD1-CB 4.01Å; L30-L88 HydrophobicContact CD1-CD1 4.31Å; L30-L88 HydrophobicContact CD2-CB 4.23Å; L30-L88 HydrophobicContact CD2-CD2 4.17Å; L30-N257 HydrophobicContact CD1-CB 4.37Å; L30-N257 HydrophobicContact CD2-CB 4Å; L30-N257 HydrophobicContact CG-CB 4.39Å; L30-L258 HydrophobicContact CD2-CD2 3.91Å |
| 31 | H | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.1 | -47.3 | 175.4 | -179.8 | 59.6 | 0 | 0 | 0 | 111.8 | T27 A28 E29 M33 C34 L35 L330 D333 | T27-H31 WeakPolarHBondContact O-CB 3.22Å; T27-H31 PolarHBondContact O-N 3.21Å; T27-H31 VanDerWaalsContact O-N 3.07Å; A28-H31 PolarHBondContact O-N 3.39Å; E29-H31 VanDerWaalsContact C-N 3.27Å; E29-H31 PolarHBondContact O-N 3.36Å; H31-M33 VanDerWaalsContact C-N 3.29Å; H31-M33 PolarHBondContact O-N 2.83Å; H31-C34 WeakPolarHBondContact O-CA 3.43Å; H31-C34 WeakPolarHBondContact O-CB 3.21Å; H31-C34 PolarHBondContact O-N 3.15Å; H31-L35 WeakPolarHBondContact O-CG 3.48Å; H31-L35 PolarHBondContact O-N 3.49Å; H31-L330 HydrophobicContact CB-CD1 4.42Å; H31-L330 HydrophobicContact CB-CD2 3.56Å; H31-D333 IonicContact CD2-OD1 3.53Å; H31-D333 IonicContact CE1-OD1 2.71Å; H31-D333 IonicContact NE2-OD1 3.91Å; H31-D333 PolarHBondContact NE2-OD1 2.99Å |
| 32 | Q | 98.6 | Very high | 98.6 | Very high | 96 Ų | 96 | 36.1 Ų | 36.1 | 45% | 0.449 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -60.2 | -38.9 | 176.3 | -66.2 | -54.7 | -49.1 | 0 | 0 | 112.3 | A28 E29 C34 L35 K36 | A28-Q32 WeakPolarHBondContact O-CG 3.44Å; A28-Q32 PolarHBondContact O-N 2.73Å; A28-Q32 VanDerWaalsContact O-N 3.11Å; E29-Q32 PolarHBondContact O-N 2.99Å; E29-Q32 VanDerWaalsContact O-N 3.14Å; Q32-C34 VanDerWaalsContact C-N 3.34Å; Q32-C34 PolarHBondContact O-N 3.5Å; Q32-L35 PolarHBondContact O-N 3.44Å; Q32-K36 PolarHBondContact O-N 2.92Å; Q32-K36 VanDerWaalsContact O-N 3.1Å |
| 33 | M | 98.8 | Very high | 98.6 | Very high | 9 Ų | 9 | 37.7 Ų | 37.7 | 4% | 0.044 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.6 | -40.8 | 173.7 | -64.5 | 163.4 | 68.5 | 0 | 0 | 111.8 | E29 L30 H31 L35 K36 V37 L248 F252 H255 L258 | E29-M33 HydrophobicContact CG-SD 4.05Å; E29-M33 WeakPolarHBondContact O-CG 3.19Å; E29-M33 PolarHBondContact O-N 3.27Å; L30-M33 HydrophobicContact CD2-SD 4.14Å; L30-M33 PolarHBondContact O-N 3.07Å; H31-M33 VanDerWaalsContact C-N 3.29Å; H31-M33 PolarHBondContact O-N 2.83Å; M33-L35 VanDerWaalsContact C-N 3.33Å; M33-L35 PolarHBondContact O-N 3.08Å; M33-K36 WeakPolarHBondContact O-CB 3.45Å; M33-K36 PolarHBondContact O-N 3.48Å; M33-V37 PolarHBondContact O-N 2.96Å; M33-L248 HydrophobicContact CB-CD2 3.76Å; M33-F252 HydrophobicContact CB-CD2 4.18Å; M33-F252 HydrophobicContact CB-CE2 3.73Å; M33-F252 HydrophobicContact CB-CZ 4.05Å; M33-F252 HydrophobicContact CE-CB 3.61Å; M33-F252 HydrophobicContact CE-CD1 4.18Å; M33-F252 HydrophobicContact CE-CD2 3.57Å; M33-F252 HydrophobicContact CE-CE2 4.26Å; M33-F252 HydrophobicContact CE-CG 3.53Å; M33-F252 HydrophobicContact CG-CD1 4.46Å; M33-F252 HydrophobicContact CG-CD2 4.27Å; M33-F252 HydrophobicContact CG-CE1 4.22Å; M33-F252 HydrophobicContact CG-CE2 4.03Å; M33-F252 HydrophobicContact CG-CG 4.49Å; M33-F252 HydrophobicContact CG-CZ 4Å; M33-H255 HydrophobicContact CE-CB 4.26Å; M33-L258 HydrophobicContact CE-CD1 3.59Å; M33-L258 HydrophobicContact CE-CD2 4.23Å; M33-L258 HydrophobicContact CE-CG 3.96Å |
| 34 | C | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.6 | -42.3 | 174.8 | -66.3 | 0 | 0 | 0 | 0 | 111.5 | L30 H31 Q32 K36 V37 V38 I239 L244 | L30-C34 PolarHBondContact O-N 2.85Å; L30-C34 PolarHBondContact O-SG 2.82Å; H31-C34 WeakPolarHBondContact O-CA 3.43Å; H31-C34 WeakPolarHBondContact O-CB 3.21Å; H31-C34 PolarHBondContact O-N 3.15Å; Q32-C34 VanDerWaalsContact C-N 3.34Å; Q32-C34 PolarHBondContact O-N 3.5Å; C34-K36 VanDerWaalsContact C-N 3.3Å; C34-K36 PolarHBondContact O-N 3.03Å; C34-V37 WeakPolarHBondContact O-CB 3.19Å; C34-V37 PolarHBondContact O-N 2.8Å; C34-V37 VanDerWaalsContact O-N 3.07Å; C34-V38 PolarHBondContact O-N 2.85Å; C34-V38 VanDerWaalsContact O-N 3.14Å; C34-I239 HydrophobicContact CB-CB 4.39Å; C34-I239 HydrophobicContact CB-CG2 3.85Å; C34-I239 WeakPolarHBondContact O-CG2 3.43Å; C34-L244 HydrophobicContact CB-CD1 4.43Å |
| 35 | L | 98.6 | Very high | 98.6 | Very high | 16 Ų | 16 | 39.7 Ų | 39.7 | 8% | 0.084 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.6 | -35.5 | 175.9 | -62.4 | -173.8 | 0 | 0 | 0 | 112.3 | H31 Q32 M33 V37 V38 E39 W65 W235 | H31-L35 WeakPolarHBondContact O-CG 3.48Å; H31-L35 PolarHBondContact O-N 3.49Å; Q32-L35 PolarHBondContact O-N 3.44Å; M33-L35 VanDerWaalsContact C-N 3.33Å; M33-L35 PolarHBondContact O-N 3.08Å; L35-V37 VanDerWaalsContact C-N 3.3Å; L35-V37 PolarHBondContact O-N 3.41Å; L35-V38 WeakPolarHBondContact O-CB 3.37Å; L35-V38 PolarHBondContact O-N 2.81Å; L35-V38 VanDerWaalsContact O-N 3.12Å; L35-E39 PolarHBondContact O-N 2.92Å; L35-E39 VanDerWaalsContact O-N 3.12Å; L35-W65 HydrophobicContact CB-CH2 4Å; L35-W65 HydrophobicContact CD2-CH2 3.99Å; L35-W65 HydrophobicContact CD2-CZ3 3.95Å; L35-W65 HydrophobicContact CG-CH2 4.39Å; L35-W235 HydrophobicContact CD2-CH2 3.91Å; L35-W235 HydrophobicContact CD2-CZ3 3.78Å |
| 36 | K | 98.7 | Very high | 98.6 | Very high | 89 Ų | 89 | 39.7 Ų | 39.7 | 39% | 0.387 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -64 | -33.4 | 172 | -65.2 | -50 | -177 | -171.6 | 0 | 113.2 | Q32 M33 C34 V38 E39 K40 M251 F252 | Q32-K36 PolarHBondContact O-N 2.92Å; Q32-K36 VanDerWaalsContact O-N 3.1Å; M33-K36 WeakPolarHBondContact O-CB 3.45Å; M33-K36 PolarHBondContact O-N 3.48Å; C34-K36 VanDerWaalsContact C-N 3.3Å; C34-K36 PolarHBondContact O-N 3.03Å; K36-V38 VanDerWaalsContact C-N 3.34Å; K36-E39 VanDerWaalsContact CD-OE2 3.23Å; K36-E39 WeakPolarHBondContact CD-OE2 3.42Å; K36-E39 IonicContact NZ-OE1 2.73Å; K36-E39 PolarHBondContact NZ-OE1 3.13Å; K36-E39 IonicContact NZ-OE2 2.86Å; K36-E39 PolarHBondContact NZ-OE2 2.9Å; K36-E39 PolarHBondContact O-N 2.66Å; K36-K40 PolarHBondContact O-N 2.89Å; K36-M251 HydrophobicContact CB-CE 3.91Å; K36-F252 HydrophobicContact CB-CZ 4.05Å; K36-F252 HydrophobicContact CG-CZ 4.36Å |
| 37 | V | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65 | -40.1 | 171.6 | 177.1 | 0 | 0 | 0 | 0 | 110.6 | M33 C34 L35 E39 K40 V41 F51 I238 L244 L247 L248 M251 | M33-V37 PolarHBondContact O-N 2.96Å; C34-V37 WeakPolarHBondContact O-CB 3.19Å; C34-V37 PolarHBondContact O-N 2.8Å; C34-V37 VanDerWaalsContact O-N 3.07Å; L35-V37 VanDerWaalsContact C-N 3.3Å; L35-V37 PolarHBondContact O-N 3.41Å; V37-E39 PolarHBondContact O-N 3.25Å; V37-K40 PolarHBondContact O-N 3.2Å; V37-V41 HydrophobicContact CG1-CG2 3.86Å; V37-V41 WeakPolarHBondContact O-CB 3.39Å; V37-V41 VanDerWaalsContact O-CG2 3.27Å; V37-V41 WeakPolarHBondContact O-CG2 3.15Å; V37-V41 PolarHBondContact O-N 3.33Å; V37-F51 HydrophobicContact CG1-CZ 3.97Å; V37-I238 HydrophobicContact CG1-CG2 4.46Å; V37-L244 HydrophobicContact CB-CD1 3.77Å; V37-L244 HydrophobicContact CG1-CD1 3.79Å; V37-L244 HydrophobicContact CG2-CD1 3.85Å; V37-L247 HydrophobicContact CG1-CB 3.85Å; V37-L247 HydrophobicContact CG1-CG 4.39Å; V37-L247 HydrophobicContact CG2-CB 4.27Å; V37-L248 HydrophobicContact CG2-CD2 3.67Å; V37-L248 HydrophobicContact CG2-CG 3.97Å; V37-M251 HydrophobicContact CB-SD 4.47Å; V37-M251 HydrophobicContact CG2-SD 3.77Å |
| 38 | V | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -56.5 | -51.2 | 174.9 | -176.9 | 0 | 0 | 0 | 0 | 110.9 | C34 L35 K36 K40 V41 I42 W65 W235 I238 I239 | C34-V38 PolarHBondContact O-N 2.85Å; C34-V38 VanDerWaalsContact O-N 3.14Å; L35-V38 WeakPolarHBondContact O-CB 3.37Å; L35-V38 PolarHBondContact O-N 2.81Å; L35-V38 VanDerWaalsContact O-N 3.12Å; K36-V38 VanDerWaalsContact C-N 3.34Å; V38-K40 PolarHBondContact O-N 2.6Å; V38-V41 PolarHBondContact O-N 3Å; V38-I42 HydrophobicContact CG1-CG2 4.07Å; V38-I42 WeakPolarHBondContact O-CG1 3.27Å; V38-I42 WeakPolarHBondContact O-CG2 3.35Å; V38-I42 PolarHBondContact O-N 3.46Å; V38-W65 HydrophobicContact CB-CD2 4.33Å; V38-W65 HydrophobicContact CB-CE3 4.23Å; V38-W65 HydrophobicContact CB-CH2 4.44Å; V38-W65 HydrophobicContact CB-CZ3 4.28Å; V38-W65 HydrophobicContact CG1-CB 4.3Å; V38-W65 HydrophobicContact CG1-CD2 3.47Å; V38-W65 VanDerWaalsContact CG1-CD2 3.47Å; V38-W65 HydrophobicContact CG1-CE3 3.49Å; V38-W65 VanDerWaalsContact CG1-CE3 3.49Å; V38-W65 HydrophobicContact CG1-CG 3.86Å; V38-W65 HydrophobicContact CG1-CZ3 4.03Å; V38-W235 HydrophobicContact CG1-CB 4.11Å; V38-W235 HydrophobicContact CG1-CE3 4.47Å; V38-W235 HydrophobicContact CG2-CE3 4.01Å; V38-W235 HydrophobicContact CG2-CZ3 4.44Å; V38-I238 HydrophobicContact CG1-CD1 4.08Å; V38-I238 HydrophobicContact CG2-CB 4.46Å; V38-I238 HydrophobicContact CG2-CG2 4.31Å; V38-I239 HydrophobicContact CG2-CG2 3.43Å; V38-I239 VanDerWaalsContact CG2-CG2 3.43Å |
| 39 | E | 98.4 | Very high | 98.6 | Very high | 82 Ų | 82 | 42.4 Ų | 42.4 | 38% | 0.383 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -53.1 | -42 | 177.7 | -69 | 175 | -174.2 | 0 | 0 | 112.1 | L35 K36 V37 I42 W65 | L35-E39 PolarHBondContact O-N 2.92Å; L35-E39 VanDerWaalsContact O-N 3.12Å; K36-E39 VanDerWaalsContact CD-OE2 3.23Å; K36-E39 WeakPolarHBondContact CD-OE2 3.42Å; K36-E39 IonicContact NZ-OE1 2.73Å; K36-E39 PolarHBondContact NZ-OE1 3.13Å; K36-E39 IonicContact NZ-OE2 2.86Å; K36-E39 PolarHBondContact NZ-OE2 2.9Å; K36-E39 PolarHBondContact O-N 2.66Å; V37-E39 PolarHBondContact O-N 3.25Å; E39-I42 WeakPolarHBondContact O-CG1 3.38Å; E39-W65 HydrophobicContact CG-CZ2 3.67Å |
| 40 | K | 98.6 | Very high | 98.5 | Very high | 67 Ų | 67 | 40.2 Ų | 40.2 | 29% | 0.291 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -71.7 | -44.1 | 179.5 | -170.2 | 178.2 | 176.5 | 178.6 | 0 | 112.3 | K36 V37 V38 A43 L47 L247 E250 M251 | K36-K40 PolarHBondContact O-N 2.89Å; V37-K40 PolarHBondContact O-N 3.2Å; V38-K40 PolarHBondContact O-N 2.6Å; K40-A43 PolarHBondContact O-N 3.12Å; K40-L47 HydrophobicContact CD-CD1 4.23Å; K40-L47 HydrophobicContact CG-CD1 3.74Å; K40-L247 HydrophobicContact CD-CD1 4.22Å; K40-E250 IonicContact NZ-OE1 2.62Å; K40-E250 PolarHBondContact NZ-OE1 2.89Å; K40-M251 HydrophobicContact CB-CE 4.45Å; K40-M251 HydrophobicContact CB-SD 4.23Å; K40-M251 HydrophobicContact CD-CE 4.22Å; K40-M251 HydrophobicContact CD-CG 4.02Å; K40-M251 HydrophobicContact CD-SD 3.43Å; K40-M251 WeakPolarHBondContact CD-SD 3.19Å; K40-M251 HydrophobicContact CG-SD 4.47Å |
| 41 | V | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -68.2 | -46.3 | -176.4 | 172.6 | 0 | 0 | 0 | 0 | 111 | V37 V38 A43 S44 L47 M48 F51 I238 | V37-V41 HydrophobicContact CG1-CG2 3.86Å; V37-V41 WeakPolarHBondContact O-CB 3.39Å; V37-V41 VanDerWaalsContact O-CG2 3.27Å; V37-V41 WeakPolarHBondContact O-CG2 3.15Å; V37-V41 PolarHBondContact O-N 3.33Å; V38-V41 PolarHBondContact O-N 3Å; V41-A43 PolarHBondContact O-N 3.37Å; V41-A43 VanDerWaalsContact O-N 3.14Å; V41-S44 PolarHBondContact O-N 3.45Å; V41-L47 HydrophobicContact CB-CB 4.42Å; V41-L47 HydrophobicContact CG1-CB 4.33Å; V41-L47 HydrophobicContact CG2-CB 4.23Å; V41-L47 HydrophobicContact CG2-CD1 4.4Å; V41-M48 HydrophobicContact CG1-CG 4.44Å; V41-M48 HydrophobicContact CG1-SD 3.76Å; V41-F51 HydrophobicContact CG1-CD2 4.13Å; V41-F51 HydrophobicContact CG1-CG 4.21Å; V41-F51 HydrophobicContact CG2-CD2 3.9Å; V41-F51 HydrophobicContact CG2-CE1 4.29Å; V41-F51 HydrophobicContact CG2-CE2 3.45Å; V41-F51 VanDerWaalsContact CG2-CE2 3.45Å; V41-F51 HydrophobicContact CG2-CG 4.49Å; V41-F51 HydrophobicContact CG2-CZ 3.67Å; V41-I238 HydrophobicContact CB-CD1 4.12Å; V41-I238 HydrophobicContact CB-CG2 3.99Å; V41-I238 HydrophobicContact CG1-CD1 3.77Å; V41-I238 HydrophobicContact CG1-CG1 3.95Å; V41-I238 HydrophobicContact CG1-CG2 4.07Å; V41-I238 HydrophobicContact CG2-CG2 3.96Å |
| 42 | I | 98.3 | Very high | 98.4 | Very high | 16 Ų | 16 | 42.6 Ų | 42.6 | 8% | 0.082 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.5 | -25.6 | -180 | 62.1 | 128.5 | 0 | 0 | 0 | 112.5 | V38 E39 R62 W65 L66 I238 | V38-I42 HydrophobicContact CG1-CG2 4.07Å; V38-I42 WeakPolarHBondContact O-CG1 3.27Å; V38-I42 WeakPolarHBondContact O-CG2 3.35Å; V38-I42 PolarHBondContact O-N 3.46Å; E39-I42 WeakPolarHBondContact O-CG1 3.38Å; I42-R62 HydrophobicContact CB-CG 4.14Å; I42-R62 PolarHBondContact O-NE 2.59Å; I42-R62 PolarHBondContact O-NH2 3.44Å; I42-W65 HydrophobicContact CD1-CB 4.45Å; I42-W65 HydrophobicContact CD1-CG 4.15Å; I42-W65 HydrophobicContact CG1-CG 4.5Å; I42-W65 HydrophobicContact CG2-CB 4.31Å; I42-L66 HydrophobicContact CD1-CD2 3.98Å; I42-L66 HydrophobicContact CD1-CG 4.28Å; I42-I238 HydrophobicContact CG2-CD1 3.66Å |
| 43 | A | 98.3 | Very high | 98.4 | Very high | 83 Ų | 83 | 38.5 Ų | 38.5 | 69% | 0.686 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -3.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | K40 V41 | K40-A43 PolarHBondContact O-N 3.12Å; V41-A43 PolarHBondContact O-N 3.37Å; V41-A43 VanDerWaalsContact O-N 3.14Å |
| 44 | S | 98.6 | Very high | 98.3 | Very high | 32 Ų | 32 | 39.3 Ų | 39.3 | 22% | 0.224 | 21% | 0.207 | C | C | . | . | trans | -135.5 | 115 | -173.8 | 175.2 | 0 | 0 | 0 | 0 | 113.1 | V41 E46 L47 M48 | V41-S44 PolarHBondContact O-N 3.45Å; S44-E46 PolarHBondContact O-N 3.05Å; S44-E46 PolarHBondContact OG-N 3.22Å; S44-L47 PolarHBondContact O-N 3.26Å; S44-L47 PolarHBondContact OG-N 2.64Å; S44-M48 VanDerWaalsContact O-CG 3.29Å; S44-M48 WeakPolarHBondContact O-CG 3.31Å; S44-M48 PolarHBondContact O-N 2.99Å | ||
| 45 | D | 98.5 | Very high | 98.3 | Very high | 81 Ų | 81 | 47 Ų | 47 | 43% | 0.433 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -58.6 | -33.3 | 173 | -77.1 | 5.2 | 0 | 0 | 0 | 112.3 | T49 W58 R62 | D45-T49 PolarHBondContact O-N 3.08Å; D45-T49 PolarHBondContact O-OG1 2.87Å; D45-W58 HydrophobicContact CB-CE3 4.3Å; D45-W58 HydrophobicContact CB-CH2 3.86Å; D45-W58 HydrophobicContact CB-CZ3 3.48Å; D45-W58 VanDerWaalsContact CB-CZ3 3.48Å; D45-W58 WeakPolarHBondContact O-CH2 3.43Å; D45-R62 IonicContact OD1-CZ 3.04Å; D45-R62 VanDerWaalsContact OD1-CZ 3.24Å; D45-R62 IonicContact OD1-NH1 3.38Å; D45-R62 PolarHBondContact OD1-NH1 2.95Å; D45-R62 IonicContact OD1-NH2 2.72Å; D45-R62 PolarHBondContact OD1-NH2 3.4Å |
| 46 | E | 98.2 | Very high | 98.2 | Very high | 136 Ų | 136 | 51 Ų | 51 | 64% | 0.636 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -65 | -45.9 | 175.8 | -176.2 | -174.9 | 167.5 | 0 | 0 | 111 | S44 T49 K50 | S44-E46 PolarHBondContact O-N 3.05Å; S44-E46 PolarHBondContact OG-N 3.22Å; E46-T49 WeakPolarHBondContact O-CB 3.37Å; E46-T49 PolarHBondContact O-N 2.91Å; E46-K50 PolarHBondContact O-N 2.71Å |
| 47 | L | 98.3 | Very high | 98.2 | Very high | 19 Ų | 19 | 47 Ų | 47 | 10% | 0.099 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -69.8 | -39 | 177.8 | -67.1 | 178.5 | 0 | 0 | 0 | 111.8 | K40 V41 S44 T49 K50 F51 L247 | K40-L47 HydrophobicContact CD-CD1 4.23Å; K40-L47 HydrophobicContact CG-CD1 3.74Å; V41-L47 HydrophobicContact CB-CB 4.42Å; V41-L47 HydrophobicContact CG1-CB 4.33Å; V41-L47 HydrophobicContact CG2-CB 4.23Å; V41-L47 HydrophobicContact CG2-CD1 4.4Å; S44-L47 PolarHBondContact O-N 3.26Å; S44-L47 PolarHBondContact OG-N 2.64Å; L47-T49 PolarHBondContact O-N 3.12Å; L47-K50 PolarHBondContact O-N 3.43Å; L47-F51 VanDerWaalsContact O-CD2 3.28Å; L47-F51 WeakPolarHBondContact O-CD2 3.43Å; L47-F51 PolarHBondContact O-N 3.23Å; L47-L247 HydrophobicContact CD1-CD1 4.26Å; L47-L247 HydrophobicContact CD2-CD1 4.05Å; L47-L247 HydrophobicContact CD2-CD2 4.44Å |
| 48 | M | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -55.6 | -36.3 | 171.6 | -67.7 | -69.3 | -70.3 | 0 | 0 | 111.5 | V41 S44 R52 I53 W58 V61 | V41-M48 HydrophobicContact CG1-CG 4.44Å; V41-M48 HydrophobicContact CG1-SD 3.76Å; S44-M48 VanDerWaalsContact O-CG 3.29Å; S44-M48 WeakPolarHBondContact O-CG 3.31Å; S44-M48 PolarHBondContact O-N 2.99Å; M48-R52 PolarHBondContact O-N 3.31Å; M48-I53 HydrophobicContact CE-CB 4.04Å; M48-I53 HydrophobicContact CE-CD1 3.79Å; M48-I53 HydrophobicContact CE-CG2 3.76Å; M48-I53 PolarHBondContact O-N 2.89Å; M48-I53 HydrophobicContact SD-CD1 3.92Å; M48-W58 HydrophobicContact CB-CD2 3.99Å; M48-W58 HydrophobicContact CB-CG 4.34Å; M48-W58 HydrophobicContact CB-CZ2 3.85Å; M48-W58 HydrophobicContact CE-CB 3.93Å; M48-W58 HydrophobicContact CE-CD2 4.49Å; M48-W58 HydrophobicContact CE-CG 3.67Å; M48-W58 HydrophobicContact CG-CD2 4.45Å; M48-V61 HydrophobicContact CE-CB 4.09Å; M48-V61 HydrophobicContact CE-CG1 4.13Å |
| 49 | T | 97.9 | Very high | 98.1 | Very high | 74 Ų | 74 | 50.4 Ų | 50.4 | 45% | 0.454 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -71.1 | -41.8 | 173.8 | -54.1 | 0 | 0 | 0 | 0 | 112.3 | D45 E46 L47 F51 R52 W58 | D45-T49 PolarHBondContact O-N 3.08Å; D45-T49 PolarHBondContact O-OG1 2.87Å; E46-T49 WeakPolarHBondContact O-CB 3.37Å; E46-T49 PolarHBondContact O-N 2.91Å; L47-T49 PolarHBondContact O-N 3.12Å; T49-F51 VanDerWaalsContact C-N 3.32Å; T49-F51 PolarHBondContact O-N 2.93Å; T49-R52 WeakPolarHBondContact O-CA 3.32Å; T49-R52 PolarHBondContact O-N 3.39Å; T49-R52 PolarHBondContact O-NH1 2.86Å; T49-R52 VanDerWaalsContact O-NH1 3.11Å; T49-W58 WeakPolarHBondContact OG1-CZ2 3.12Å |
| 50 | K | 97.1 | Very high | 98.1 | Very high | 44 Ų | 44 | 47.1 Ų | 47.1 | 19% | 0.191 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.6 | -36.1 | 174.7 | -76.4 | -156.9 | 173.1 | -165.1 | 0 | 112.9 | E46 L47 R52 F263 D266 | E46-K50 PolarHBondContact O-N 2.71Å; L47-K50 PolarHBondContact O-N 3.43Å; K50-R52 PolarHBondContact O-N 3.42Å; K50-R52 PolarHBondContact O-NH1 2.97Å; K50-F263 HydrophobicContact CB-CE1 4.26Å; K50-F263 HydrophobicContact CB-CZ 4.05Å; K50-F263 HydrophobicContact CD-CD2 4.2Å; K50-F263 HydrophobicContact CD-CE2 3.85Å; K50-F263 HydrophobicContact CD-CZ 4.06Å; K50-D266 IonicContact NZ-OD1 3.99Å; K50-D266 IonicContact NZ-OD2 2.91Å; K50-D266 PolarHBondContact NZ-OD2 2.63Å |
| 51 | F | 98.1 | Very high | 98.1 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | 4.3 | 173 | -81.4 | -109.2 | 0 | 0 | 0 | 113 | V37 V41 L47 T49 I53 I238 N241 A243 L247 | V37-F51 HydrophobicContact CG1-CZ 3.97Å; V41-F51 HydrophobicContact CG1-CD2 4.13Å; V41-F51 HydrophobicContact CG1-CG 4.21Å; V41-F51 HydrophobicContact CG2-CD2 3.9Å; V41-F51 HydrophobicContact CG2-CE1 4.29Å; V41-F51 HydrophobicContact CG2-CE2 3.45Å; V41-F51 VanDerWaalsContact CG2-CE2 3.45Å; V41-F51 HydrophobicContact CG2-CG 4.49Å; V41-F51 HydrophobicContact CG2-CZ 3.67Å; L47-F51 VanDerWaalsContact O-CD2 3.28Å; L47-F51 WeakPolarHBondContact O-CD2 3.43Å; L47-F51 PolarHBondContact O-N 3.23Å; T49-F51 VanDerWaalsContact C-N 3.32Å; T49-F51 PolarHBondContact O-N 2.93Å; F51-I53 HydrophobicContact CB-CD1 4.2Å; F51-I53 HydrophobicContact CB-CG1 4.06Å; F51-I53 PolarHBondContact O-N 3.32Å; F51-I53 VanDerWaalsContact O-N 3.16Å; F51-I238 HydrophobicContact CD1-CB 4.39Å; F51-I238 HydrophobicContact CD1-CG2 3.85Å; F51-I238 HydrophobicContact CE1-CG2 3.59Å; F51-I238 VanDerWaalsContact CE1-O 3.3Å; F51-I238 WeakPolarHBondContact CE1-O 3.18Å; F51-I238 HydrophobicContact CZ-CG2 4.26Å; F51-N241 HydrophobicContact CD1-CB 4.2Å; F51-N241 PolarHBondContact O-ND2 3.24Å; F51-A243 HydrophobicContact CD1-CB 3.82Å; F51-A243 HydrophobicContact CD2-CB 4.02Å; F51-A243 HydrophobicContact CE1-CB 3.85Å; F51-A243 HydrophobicContact CE2-CB 4.05Å; F51-A243 HydrophobicContact CG-CB 3.92Å; F51-A243 VanDerWaalsContact CZ-C 3.47Å; F51-A243 HydrophobicContact CZ-CB 3.98Å; F51-A243 WeakPolarHBondContact CZ-O 3.46Å; F51-L247 HydrophobicContact CE2-CD2 3.92Å; F51-L247 HydrophobicContact CE2-CG 3.84Å; F51-L247 HydrophobicContact CZ-CB 4.36Å; F51-L247 HydrophobicContact CZ-CD2 4.41Å; F51-L247 HydrophobicContact CZ-CG 4.08Å |
| 52 | R | 97.9 | Very high | 98.1 | Very high | 51 Ų | 51 | 46.6 Ų | 46.6 | 19% | 0.192 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.7 | 35.5 | 177.3 | -52.1 | -64.6 | -174.2 | -109.3 | -1.1 | 111.6 | M48 T49 K50 R216 E265 I279 F280 E306 | M48-R52 PolarHBondContact O-N 3.31Å; T49-R52 WeakPolarHBondContact O-CA 3.32Å; T49-R52 PolarHBondContact O-N 3.39Å; T49-R52 PolarHBondContact O-NH1 2.86Å; T49-R52 VanDerWaalsContact O-NH1 3.11Å; K50-R52 PolarHBondContact O-N 3.42Å; K50-R52 PolarHBondContact O-NH1 2.97Å; R52-R216 PolarHBondContact O-NH2 2.89Å; R52-E265 IonicContact CZ-OE1 3.78Å; R52-E265 IonicContact NH1-OE1 3.52Å; R52-E265 IonicContact NH2-OE1 3.25Å; R52-E265 PolarHBondContact NH2-OE1 2.87Å; R52-E265 IonicContact NH2-OE2 3.03Å; R52-E265 PolarHBondContact NH2-OE2 3.25Å; R52-I279 HydrophobicContact CG-CD1 4.03Å; R52-I279 HydrophobicContact CG-CG2 4.01Å; R52-F280 HydrophobicContact CB-CE2 3.84Å; R52-F280 HydrophobicContact CB-CZ 3.79Å; R52-E306 HydrophobicContact CB-CB 4.43Å; R52-E306 HydrophobicContact CG-CB 4.05Å; R52-E306 PolarHBondContact NE-O 2.92Å |
| 53 | I | 98.1 | Very high | 98 | Very high | 10 Ų | 10 | 49.9 Ų | 49.9 | 5% | 0.051 | 26% | 0.258 | C | S | . | . | trans | -84.2 | 125.8 | 173.8 | -57.7 | 179.5 | 0 | 0 | 0 | 107.6 | M48 F51 K55 W58 V61 L215 I238 | M48-I53 HydrophobicContact CE-CB 4.04Å; M48-I53 HydrophobicContact CE-CD1 3.79Å; M48-I53 HydrophobicContact CE-CG2 3.76Å; M48-I53 PolarHBondContact O-N 2.89Å; M48-I53 HydrophobicContact SD-CD1 3.92Å; F51-I53 HydrophobicContact CB-CD1 4.2Å; F51-I53 HydrophobicContact CB-CG1 4.06Å; F51-I53 PolarHBondContact O-N 3.32Å; F51-I53 VanDerWaalsContact O-N 3.16Å; I53-K55 PolarHBondContact O-N 2.95Å; I53-W58 PolarHBondContact O-NE1 3.48Å; I53-V61 HydrophobicContact CD1-CG1 4.31Å; I53-V61 HydrophobicContact CG2-CG2 4.03Å; I53-L215 HydrophobicContact CG2-CD1 4.38Å; I53-I238 HydrophobicContact CD1-CD1 4.49Å; I53-I238 HydrophobicContact CD1-CG1 3.74Å | ||
| 54 | P | 97.7 | Very high | 98 | Very high | 25 Ų | 25 | 45.9 Ų | 45.9 | 16% | 0.162 | 23% | 0.225 | C | C | . | . | trans | -60.6 | 136.1 | 179.8 | -27.7 | 38.4 | 0 | 0 | 0 | 112.9 | H56 T57 W58 L215 R216 | P54-H56 WeakPolarHBondContact CB-CE1 3.39Å; P54-H56 PolarHBondContact O-N 3.08Å; P54-H56 VanDerWaalsContact O-N 3.13Å; P54-T57 PolarHBondContact O-N 3.42Å; P54-T57 PolarHBondContact O-OG1 2.86Å; P54-W58 PolarHBondContact O-NE1 3.21Å; P54-L215 HydrophobicContact CG-CB 4.37Å; P54-L215 WeakPolarHBondContact CG-O 3.34Å; P54-R216 HydrophobicContact CG-CG 4.12Å | ||
| 55 | K | 97.8 | Very high | 98 | Very high | 161 Ų | 161 | 46.3 Ų | 46.3 | 70% | 0.7 | 22% | 0.222 | S | C | * | . | G | 310 helix | trans | -56.5 | -35.2 | -172.5 | -173.8 | 174.1 | -178.8 | 176 | 0 | 114.1 | I53 T57 W58 | I53-K55 PolarHBondContact O-N 2.95Å; K55-T57 PolarHBondContact O-N 3.47Å; K55-W58 HydrophobicContact CB-CD2 4.43Å; K55-W58 HydrophobicContact CB-CZ2 4.23Å; K55-W58 HydrophobicContact CD-CH2 4.49Å; K55-W58 HydrophobicContact CD-CZ3 4.42Å; K55-W58 HydrophobicContact CG-CD2 4.16Å; K55-W58 HydrophobicContact CG-CE3 4.01Å; K55-W58 HydrophobicContact CG-CH2 4.17Å; K55-W58 HydrophobicContact CG-CZ2 4.31Å; K55-W58 HydrophobicContact CG-CZ3 3.99Å; K55-W58 PolarHBondContact O-N 2.96Å |
| 56 | H | 97.4 | Very high | 98 | Very high | 102 Ų | 102 | 47.1 Ų | 47.1 | 47% | 0.472 | 23% | 0.226 | S | C | . | . | G | 310 helix | trans | -70.3 | -17.2 | -179.9 | 65.3 | -76.7 | 0 | 0 | 0 | 113.4 | P54 S220 | P54-H56 WeakPolarHBondContact CB-CE1 3.39Å; P54-H56 PolarHBondContact O-N 3.08Å; P54-H56 VanDerWaalsContact O-N 3.13Å; H56-S220 PolarHBondContact NE2-OG 3.13Å |
| 57 | T | 98.2 | Very high | 97.9 | Very high | 3 Ų | 3 | 44.4 Ų | 44.4 | 2% | 0.018 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -100.8 | 1.6 | 178.7 | 69.6 | 0 | 0 | 0 | 0 | 113.5 | P54 K55 S59 F60 V61 L215 | P54-T57 PolarHBondContact O-N 3.42Å; P54-T57 PolarHBondContact O-OG1 2.86Å; K55-T57 PolarHBondContact O-N 3.47Å; T57-S59 VanDerWaalsContact C-N 3.32Å; T57-S59 PolarHBondContact O-N 3.12Å; T57-F60 WeakPolarHBondContact O-CB 2.83Å; T57-F60 PolarHBondContact O-N 3.41Å; T57-V61 PolarHBondContact O-N 3.15Å; T57-L215 HydrophobicContact CG2-CB 4.35Å; T57-L215 HydrophobicContact CG2-CD2 3.88Å |
| 58 | W | 98.2 | Very high | 97.9 | Very high | 22 Ų | 22 | 50.3 Ų | 50.3 | 8% | 0.083 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.6 | -38.8 | -176.2 | -71.7 | 2 | 0 | 0 | 0 | 113.1 | D45 M48 T49 I53 P54 K55 R62 | D45-W58 HydrophobicContact CB-CE3 4.3Å; D45-W58 HydrophobicContact CB-CH2 3.86Å; D45-W58 HydrophobicContact CB-CZ3 3.48Å; D45-W58 VanDerWaalsContact CB-CZ3 3.48Å; D45-W58 WeakPolarHBondContact O-CH2 3.43Å; M48-W58 HydrophobicContact CB-CD2 3.99Å; M48-W58 HydrophobicContact CB-CG 4.34Å; M48-W58 HydrophobicContact CB-CZ2 3.85Å; M48-W58 HydrophobicContact CE-CB 3.93Å; M48-W58 HydrophobicContact CE-CD2 4.49Å; M48-W58 HydrophobicContact CE-CG 3.67Å; M48-W58 HydrophobicContact CG-CD2 4.45Å; T49-W58 WeakPolarHBondContact OG1-CZ2 3.12Å; I53-W58 PolarHBondContact O-NE1 3.48Å; P54-W58 PolarHBondContact O-NE1 3.21Å; K55-W58 HydrophobicContact CB-CD2 4.43Å; K55-W58 HydrophobicContact CB-CZ2 4.23Å; K55-W58 HydrophobicContact CD-CH2 4.49Å; K55-W58 HydrophobicContact CD-CZ3 4.42Å; K55-W58 HydrophobicContact CG-CD2 4.16Å; K55-W58 HydrophobicContact CG-CE3 4.01Å; K55-W58 HydrophobicContact CG-CH2 4.17Å; K55-W58 HydrophobicContact CG-CZ2 4.31Å; K55-W58 HydrophobicContact CG-CZ3 3.99Å; K55-W58 PolarHBondContact O-N 2.96Å; W58-R62 VanDerWaalsContact O-CB 3.31Å; W58-R62 WeakPolarHBondContact O-CB 3.33Å; W58-R62 WeakPolarHBondContact O-CD 3.47Å; W58-R62 WeakPolarHBondContact O-CG 3.49Å; W58-R62 PolarHBondContact O-N 2.87Å |
| 59 | S | 97.6 | Very high | 97.8 | Very high | 50 Ų | 50 | 52.5 Ų | 52.5 | 35% | 0.35 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -60.1 | -53.3 | 175.4 | -175.5 | 0 | 0 | 0 | 0 | 110.3 | T57 V61 R62 Q63 E224 | T57-S59 VanDerWaalsContact C-N 3.32Å; T57-S59 PolarHBondContact O-N 3.12Å; S59-V61 PolarHBondContact O-N 3.11Å; S59-R62 WeakPolarHBondContact O-CB 3.09Å; S59-R62 PolarHBondContact O-N 3.27Å; S59-R62 VanDerWaalsContact O-N 3.14Å; S59-Q63 WeakPolarHBondContact O-CB 3.45Å; S59-Q63 WeakPolarHBondContact O-CG 3.33Å; S59-Q63 PolarHBondContact O-N 3.17Å; S59-E224 WeakPolarHBondContact CB-OE1 3.41Å; S59-E224 WeakPolarHBondContact CB-OE2 3.41Å; S59-E224 PolarHBondContact OG-OE1 3.29Å |
| 60 | F | 98 | Very high | 97.8 | Very high | 13 Ų | 13 | 49.5 Ų | 49.5 | 6% | 0.057 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -51.3 | -50.3 | 176.8 | 179 | -116.2 | 0 | 0 | 0 | 113.5 | T57 Q63 S64 W211 L215 L223 E224 W230 A234 | T57-F60 WeakPolarHBondContact O-CB 2.83Å; T57-F60 PolarHBondContact O-N 3.41Å; F60-Q63 PolarHBondContact O-N 2.9Å; F60-S64 PolarHBondContact O-N 2.81Å; F60-S64 VanDerWaalsContact O-N 3.1Å; F60-W211 AromaticContact CE1-CH2 3.64Å; F60-W211 HydrophobicContact CE1-CH2 3.64Å; F60-W211 AromaticContact CE1-CZ3 3.64Å; F60-W211 HydrophobicContact CE1-CZ3 3.64Å; F60-W211 AromaticContact CZ-CH2 3.74Å; F60-W211 HydrophobicContact CZ-CH2 3.74Å; F60-W211 HydrophobicContact CZ-CZ3 4.16Å; F60-L215 HydrophobicContact CD1-CD2 4.26Å; F60-L215 HydrophobicContact CE1-CD2 4.45Å; F60-L223 HydrophobicContact CD1-CB 4.09Å; F60-L223 HydrophobicContact CD1-CD1 4.27Å; F60-L223 HydrophobicContact CD2-CB 4.29Å; F60-L223 HydrophobicContact CE1-CB 3.84Å; F60-L223 HydrophobicContact CE1-CD1 3.97Å; F60-L223 HydrophobicContact CE1-CG 4.45Å; F60-L223 HydrophobicContact CE2-CB 4.06Å; F60-L223 WeakPolarHBondContact CE2-O 3.45Å; F60-L223 HydrophobicContact CG-CB 4.3Å; F60-L223 HydrophobicContact CZ-CB 3.83Å; F60-E224 HydrophobicContact CB-CB 4.21Å; F60-E224 HydrophobicContact CB-CG 4.49Å; F60-E224 HydrophobicContact CD2-CB 4.07Å; F60-E224 HydrophobicContact CD2-CG 4.48Å; F60-E224 HydrophobicContact CG-CB 4.5Å; F60-W230 AromaticContact CE2-CD1 3.98Å; F60-W230 AromaticContact CE2-NE1 3.96Å; F60-W230 AromaticContact CZ-CD1 3.61Å; F60-W230 HydrophobicContact CZ-CG 4.35Å; F60-W230 AromaticContact CZ-NE1 3.64Å; F60-A234 HydrophobicContact CD1-CB 3.74Å; F60-A234 HydrophobicContact CE1-CB 3.32Å; F60-A234 HydrophobicContact CZ-CB 3.82Å |
| 61 | V | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63 | -46.2 | 177.6 | 176.7 | 0 | 0 | 0 | 0 | 111.2 | M48 I53 T57 S59 Q63 S64 L215 A234 I238 | M48-V61 HydrophobicContact CE-CB 4.09Å; M48-V61 HydrophobicContact CE-CG1 4.13Å; I53-V61 HydrophobicContact CD1-CG1 4.31Å; I53-V61 HydrophobicContact CG2-CG2 4.03Å; T57-V61 PolarHBondContact O-N 3.15Å; S59-V61 PolarHBondContact O-N 3.11Å; V61-Q63 PolarHBondContact O-N 3.49Å; V61-S64 PolarHBondContact O-N 2.72Å; V61-S64 PolarHBondContact O-OG 3.18Å; V61-L215 HydrophobicContact CG2-CD1 4.46Å; V61-A234 HydrophobicContact CG2-CB 4.28Å; V61-I238 HydrophobicContact CG1-CD1 3.95Å; V61-I238 HydrophobicContact CG1-CG1 4.37Å |
| 62 | R | 98.5 | Very high | 97.8 | Very high | 57 Ų | 57 | 47.5 Ų | 47.5 | 22% | 0.215 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.2 | -48.6 | 177.4 | -76.9 | 170.2 | 164 | 148.3 | 7.2 | 112.3 | I42 D45 W58 S59 S64 W65 L66 | I42-R62 HydrophobicContact CB-CG 4.14Å; I42-R62 PolarHBondContact O-NE 2.59Å; I42-R62 PolarHBondContact O-NH2 3.44Å; D45-R62 IonicContact OD1-CZ 3.04Å; D45-R62 VanDerWaalsContact OD1-CZ 3.24Å; D45-R62 IonicContact OD1-NH1 3.38Å; D45-R62 PolarHBondContact OD1-NH1 2.95Å; D45-R62 IonicContact OD1-NH2 2.72Å; D45-R62 PolarHBondContact OD1-NH2 3.4Å; W58-R62 VanDerWaalsContact O-CB 3.31Å; W58-R62 WeakPolarHBondContact O-CB 3.33Å; W58-R62 WeakPolarHBondContact O-CD 3.47Å; W58-R62 WeakPolarHBondContact O-CG 3.49Å; W58-R62 PolarHBondContact O-N 2.87Å; S59-R62 WeakPolarHBondContact O-CB 3.09Å; S59-R62 PolarHBondContact O-N 3.27Å; S59-R62 VanDerWaalsContact O-N 3.14Å; R62-S64 VanDerWaalsContact C-N 3.26Å; R62-S64 PolarHBondContact O-N 2.79Å; R62-W65 PolarHBondContact O-N 2.82Å; R62-W65 VanDerWaalsContact O-N 3.15Å; R62-L66 HydrophobicContact CB-CD1 4.45Å; R62-L66 WeakPolarHBondContact O-CG 3.28Å; R62-L66 PolarHBondContact O-N 3.22Å |
| 63 | Q | 97.7 | Very high | 97.9 | Very high | 84 Ų | 84 | 45 Ų | 45 | 39% | 0.393 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -61.8 | -37.4 | -178.5 | -70 | -54 | -33 | 0 | 0 | 111.2 | S59 F60 V61 W65 L66 T67 | S59-Q63 WeakPolarHBondContact O-CB 3.45Å; S59-Q63 WeakPolarHBondContact O-CG 3.33Å; S59-Q63 PolarHBondContact O-N 3.17Å; F60-Q63 PolarHBondContact O-N 2.9Å; V61-Q63 PolarHBondContact O-N 3.49Å; Q63-W65 PolarHBondContact O-N 3.49Å; Q63-L66 PolarHBondContact O-N 3.21Å; Q63-T67 WeakPolarHBondContact O-CB 3.41Å; Q63-T67 WeakPolarHBondContact O-CG2 3.48Å; Q63-T67 PolarHBondContact O-N 3.03Å; Q63-T67 PolarHBondContact O-OG1 2.84Å |
| 64 | S | 98.1 | Very high | 97.9 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59 | -34.7 | 177.4 | 75.1 | 0 | 0 | 0 | 0 | 113.1 | F60 V61 R62 Q69 W235 | F60-S64 PolarHBondContact O-N 2.81Å; F60-S64 VanDerWaalsContact O-N 3.1Å; V61-S64 PolarHBondContact O-N 2.72Å; V61-S64 PolarHBondContact O-OG 3.18Å; R62-S64 VanDerWaalsContact C-N 3.26Å; R62-S64 PolarHBondContact O-N 2.79Å; S64-Q69 VanDerWaalsContact CA-CD 3.48Å; S64-Q69 WeakPolarHBondContact O-CB 3.17Å; S64-Q69 WeakPolarHBondContact O-CG 3.37Å; S64-Q69 PolarHBondContact O-N 2.7Å; S64-W235 WeakPolarHBondContact OG-CB 3.33Å; S64-W235 PolarHBondContact OG-N 2.77Å |
| 65 | W | 98.3 | Very high | 97.9 | Very high | 41 Ų | 41 | 44 Ų | 44 | 16% | 0.155 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -79.2 | -49.7 | 174.2 | -177.6 | -101.3 | 0 | 0 | 0 | 112.4 | L35 V38 E39 I42 R62 Q63 T67 H68 W235 | L35-W65 HydrophobicContact CB-CH2 4Å; L35-W65 HydrophobicContact CD2-CH2 3.99Å; L35-W65 HydrophobicContact CD2-CZ3 3.95Å; L35-W65 HydrophobicContact CG-CH2 4.39Å; V38-W65 HydrophobicContact CB-CD2 4.33Å; V38-W65 HydrophobicContact CB-CE3 4.23Å; V38-W65 HydrophobicContact CB-CH2 4.44Å; V38-W65 HydrophobicContact CB-CZ3 4.28Å; V38-W65 HydrophobicContact CG1-CB 4.3Å; V38-W65 HydrophobicContact CG1-CD2 3.47Å; V38-W65 VanDerWaalsContact CG1-CD2 3.47Å; V38-W65 HydrophobicContact CG1-CE3 3.49Å; V38-W65 VanDerWaalsContact CG1-CE3 3.49Å; V38-W65 HydrophobicContact CG1-CG 3.86Å; V38-W65 HydrophobicContact CG1-CZ3 4.03Å; E39-W65 HydrophobicContact CG-CZ2 3.67Å; I42-W65 HydrophobicContact CD1-CB 4.45Å; I42-W65 HydrophobicContact CD1-CG 4.15Å; I42-W65 HydrophobicContact CG1-CG 4.5Å; I42-W65 HydrophobicContact CG2-CB 4.31Å; R62-W65 PolarHBondContact O-N 2.82Å; R62-W65 VanDerWaalsContact O-N 3.15Å; Q63-W65 PolarHBondContact O-N 3.49Å; W65-T67 PolarHBondContact O-N 2.91Å; W65-H68 PolarHBondContact O-N 3.03Å; W65-W235 HydrophobicContact CB-CB 4.08Å; W65-W235 HydrophobicContact CB-CG 4.44Å; W65-W235 HydrophobicContact CE3-CB 4.31Å; W65-W235 AromaticContact CE3-CD2 3.8Å; W65-W235 HydrophobicContact CE3-CD2 3.8Å; W65-W235 HydrophobicContact CE3-CE3 4.16Å; W65-W235 AromaticContact CE3-CG 3.86Å; W65-W235 HydrophobicContact CE3-CG 3.86Å; W65-W235 HydrophobicContact CZ3-CD2 4.12Å; W65-W235 HydrophobicContact CZ3-CE3 4.15Å; W65-W235 HydrophobicContact CZ3-CZ2 4.45Å; W65-W235 HydrophobicContact CZ3-CZ3 4.35Å |
| 66 | L | 98 | Very high | 97.9 | Very high | 98 Ų | 98 | 36.3 Ų | 36.3 | 51% | 0.513 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -64 | -25.7 | -175.1 | -67.7 | 173.6 | 0 | 0 | 0 | 113.4 | I42 R62 Q63 | I42-L66 HydrophobicContact CD1-CD2 3.98Å; I42-L66 HydrophobicContact CD1-CG 4.28Å; R62-L66 HydrophobicContact CB-CD1 4.45Å; R62-L66 WeakPolarHBondContact O-CG 3.28Å; R62-L66 PolarHBondContact O-N 3.22Å; Q63-L66 PolarHBondContact O-N 3.21Å |
| 67 | T | 96.8 | Very high | 98 | Very high | 79 Ų | 79 | 31.5 Ų | 31.5 | 49% | 0.485 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | 9.1 | 176.2 | 62.1 | 0 | 0 | 0 | 0 | 113.2 | Q63 W65 Q69 | Q63-T67 WeakPolarHBondContact O-CB 3.41Å; Q63-T67 WeakPolarHBondContact O-CG2 3.48Å; Q63-T67 PolarHBondContact O-N 3.03Å; Q63-T67 PolarHBondContact O-OG1 2.84Å; W65-T67 PolarHBondContact O-N 2.91Å; T67-Q69 PolarHBondContact O-N 3.35Å |
| 68 | H | 96.9 | Very high | 98 | Very high | 142 Ų | 142 | 31.4 Ų | 31.4 | 66% | 0.657 | 16% | 0.155 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.3 | 47 | 178.3 | -56.9 | -74.6 | 0 | 0 | 0 | 113.2 | W65 | W65-H68 PolarHBondContact O-N 3.03Š|
| 69 | Q | 97.3 | Very high | 98 | Very high | 46 Ų | 46 | 30.3 Ų | 30.3 | 22% | 0.215 | 15% | 0.151 | C | C | . | . | trans | -61.2 | 133.4 | 177.5 | -68.6 | -175.2 | -0.6 | 0 | 0 | 110.4 | S64 T67 P233 W235 | S64-Q69 VanDerWaalsContact CA-CD 3.48Å; S64-Q69 WeakPolarHBondContact O-CB 3.17Å; S64-Q69 WeakPolarHBondContact O-CG 3.37Å; S64-Q69 PolarHBondContact O-N 2.7Å; T67-Q69 PolarHBondContact O-N 3.35Å; Q69-P233 HydrophobicContact CB-CB 3.76Å; Q69-W235 PolarHBondContact O-NE1 2.71Å | ||
| 70 | P | 97.6 | Very high | 98 | Very high | 12 Ų | 12 | 28.7 Ų | 28.7 | 8% | 0.078 | 14% | 0.138 | C | C | . | . | trans | -71 | 149.6 | -171.5 | 31 | -36.4 | 0 | 0 | 0 | 111.5 | R136 L140 Y144 F146 P233 | P70-R136 VanDerWaalsContact CB-NH2 3.31Å; P70-L140 HydrophobicContact CB-CD2 3.52Å; P70-L140 HydrophobicContact CG-CD2 3.62Å; P70-Y144 HydrophobicContact CB-CD1 4.11Å; P70-Y144 HydrophobicContact CB-CD2 4.22Å; P70-Y144 HydrophobicContact CB-CE1 3.84Å; P70-Y144 HydrophobicContact CB-CE2 3.98Å; P70-Y144 HydrophobicContact CB-CG 4.28Å; P70-Y144 HydrophobicContact CG-CD1 3.65Å; P70-Y144 HydrophobicContact CG-CD2 4.32Å; P70-Y144 HydrophobicContact CG-CE1 3.83Å; P70-Y144 HydrophobicContact CG-CE2 4.48Å; P70-Y144 HydrophobicContact CG-CG 3.9Å; P70-F146 HydrophobicContact CG-CE2 4.21Å; P70-F146 HydrophobicContact CG-CZ 4.41Å; P70-P233 VanDerWaalsContact O-CD 3.23Å; P70-P233 WeakPolarHBondContact O-CD 3.29Å; P70-P233 WeakPolarHBondContact O-CG 3.33Å | ||
| 71 | S | 97.9 | Very high | 97.8 | Very high | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.007 | 16% | 0.159 | C | C | . | . | trans | -111.6 | 160.8 | 172.6 | 87.6 | 0 | 0 | 0 | 0 | 112 | R136 E232 N332 | S71-R136 PolarHBondContact O-NE 3Å; S71-R136 PolarHBondContact O-NH2 2.77Å; S71-E232 VanDerWaalsContact CA-OE2 3.27Å; S71-E232 WeakPolarHBondContact CA-OE2 3.27Å; S71-E232 VanDerWaalsContact CB-OE2 3.28Å; S71-E232 WeakPolarHBondContact CB-OE2 3.27Å; S71-N332 PolarHBondContact OG-OD1 2.9Å | ||
| 72 | L | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.167 | C | C | . | . | trans | -103.8 | -60.2 | 179.5 | -179.2 | 65.8 | 0 | 0 | 0 | 112.3 | L133 R136 F137 L140 L167 F206 L231 E232 V331 N332 | L72-L133 HydrophobicContact CD1-CD2 3.82Å; L72-L133 HydrophobicContact CG-CD2 4.02Å; L72-R136 HydrophobicContact CD1-CG 3.95Å; L72-F137 HydrophobicContact CD1-CD1 4.46Å; L72-F137 HydrophobicContact CD1-CE1 3.99Å; L72-F137 HydrophobicContact CD1-CE2 4.08Å; L72-F137 HydrophobicContact CD1-CZ 3.79Å; L72-F137 HydrophobicContact CD2-CE1 4.28Å; L72-F137 HydrophobicContact CD2-CZ 3.76Å; L72-F137 HydrophobicContact CG-CZ 4.45Å; L72-L140 HydrophobicContact CD1-CD1 4.37Å; L72-L167 HydrophobicContact CD2-CD1 4.39Å; L72-L167 HydrophobicContact CD2-CD2 4.04Å; L72-F206 HydrophobicContact CD2-CD2 3.93Å; L72-F206 HydrophobicContact CD2-CE2 3.84Å; L72-L231 HydrophobicContact CB-CD1 3.79Å; L72-L231 HydrophobicContact CB-CD2 3.95Å; L72-L231 HydrophobicContact CB-CG 3.8Å; L72-L231 HydrophobicContact CD2-CD2 4.09Å; L72-L231 HydrophobicContact CG-CD2 4.44Å; L72-E232 WeakPolarHBondContact CA-OE1 3.47Å; L72-E232 VanDerWaalsContact CB-OE1 3.24Å; L72-E232 WeakPolarHBondContact CB-OE1 3.43Å; L72-E232 PolarHBondContact N-OE1 3.46Å; L72-E232 PolarHBondContact N-OE2 2.9Å; L72-V331 CarbonylContact O-C 3.49Å; L72-N332 PolarHBondContact O-N 3.1Å | ||
| 73 | Y | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159 | 164.5 | -172.9 | 74.1 | -62.5 | 0 | 0 | 0 | 113.7 | P96 L99 L167 F206 E232 K236 W329 L330 | Y73-P96 HydrophobicContact CD2-CG 3.84Å; Y73-P96 HydrophobicContact CE2-CB 4.44Å; Y73-P96 HydrophobicContact CE2-CG 3.46Å; Y73-P96 VanDerWaalsContact CE2-CG 3.46Å; Y73-P96 WeakPolarHBondContact CE2-O 3.34Å; Y73-P96 PolarHBondContact OH-O 3.27Å; Y73-L99 HydrophobicContact CD2-CD1 4.11Å; Y73-L99 HydrophobicContact CD2-CD2 3.94Å; Y73-L99 HydrophobicContact CD2-CG 4.49Å; Y73-L99 HydrophobicContact CE2-CB 4.15Å; Y73-L99 HydrophobicContact CE2-CD1 4.3Å; Y73-L99 HydrophobicContact CE2-CD2 3.6Å; Y73-L99 HydrophobicContact CE2-CG 4.22Å; Y73-L167 HydrophobicContact CE1-CD1 4.2Å; Y73-F206 AromaticContact CE1-CE2 3.75Å; Y73-F206 HydrophobicContact CE1-CE2 3.75Å; Y73-F206 AromaticContact CE1-CZ 3.74Å; Y73-F206 HydrophobicContact CE1-CZ 3.74Å; Y73-E232 PolarHBondContact N-OE1 2.89Å; Y73-E232 VanDerWaalsContact O-OE1 3.09Å; Y73-K236 PolarHBondContact O-NZ 2.7Å; Y73-W329 AromaticContact CD2-CE3 3.97Å; Y73-W329 HydrophobicContact CD2-CE3 3.97Å; Y73-W329 AromaticContact CD2-CZ3 3.55Å; Y73-W329 HydrophobicContact CD2-CZ3 3.55Å; Y73-W329 HydrophobicContact CE2-CE3 4.49Å; Y73-W329 HydrophobicContact CE2-CH2 4.4Å; Y73-W329 AromaticContact CE2-CZ3 3.63Å; Y73-W329 HydrophobicContact CE2-CZ3 3.63Å; Y73-L330 CarbonylContact C-O 3.58Å; Y73-L330 WeakPolarHBondContact CA-O 3.5Å; Y73-L330 VanDerWaalsContact CB-O 3.28Å; Y73-L330 WeakPolarHBondContact CB-O 3.26Å |
| 74 | S | 98.2 | Very high | 97.4 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 163.4 | 174.7 | 56.5 | 0 | 0 | 0 | 0 | 111.2 | W329 L330 | S74-W329 WeakPolarHBondContact O-CA 3.41Å; S74-L330 PolarHBondContact N-O 2.98Å; S74-L330 PolarHBondContact O-N 3.08Å; S74-L330 WeakPolarHBondContact OG-CD1 3.42Å |
| 75 | R | 98.4 | Very high | 97.4 | Very high | 12 Ų | 12 | 37.5 Ų | 37.5 | 5% | 0.045 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 116.1 | 175 | -167.8 | -173.7 | 77.5 | -145.1 | -5 | 111.1 | D77 N92 P96 T97 S328 W329 | R75-D77 IonicContact CZ-OD1 2.71Å; R75-D77 IonicContact NE-OD1 3.08Å; R75-D77 PolarHBondContact NE-OD1 3.35Å; R75-D77 IonicContact NH2-OD1 3.7Å; R75-D77 IonicContact NH2-OD2 2.71Å; R75-D77 PolarHBondContact NH2-OD2 2.77Å; R75-N92 HydrophobicContact CB-CB 4.36Å; R75-N92 PolarHBondContact N-O 3.31Å; R75-N92 PolarHBondContact NH2-ND2 3.06Å; R75-N92 WeakPolarHBondContact O-CB 3.39Å; R75-N92 PolarHBondContact O-N 3.13Å; R75-P96 HydrophobicContact CB-CB 3.72Å; R75-P96 HydrophobicContact CB-CG 4.43Å; R75-T97 PolarHBondContact NH1-O 3.41Å; R75-S328 CarbonylContact C-O 3.56Å; R75-S328 WeakPolarHBondContact CA-O 3.44Å; R75-W329 HydrophobicContact CB-CD2 4.05Å; R75-W329 HydrophobicContact CB-CE3 3.79Å; R75-W329 HydrophobicContact CB-CH2 4.17Å; R75-W329 HydrophobicContact CB-CZ2 4.39Å; R75-W329 HydrophobicContact CB-CZ3 3.83Å; R75-W329 VanDerWaalsContact CD-CZ2 3.46Å; R75-W329 HydrophobicContact CG-CD2 3.9Å; R75-W329 HydrophobicContact CG-CE3 4.17Å; R75-W329 HydrophobicContact CG-CG 4.4Å; R75-W329 HydrophobicContact CG-CH2 4.35Å; R75-W329 HydrophobicContact CG-CZ2 4.08Å; R75-W329 HydrophobicContact CG-CZ3 4.37Å |
| 76 | L | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 128.9 | 168.7 | -57 | -175.6 | 0 | 0 | 0 | 109.3 | T27 L30 L78 L88 N91 G327 S328 L330 | T27-L76 HydrophobicContact CG2-CD1 4.06Å; L30-L76 HydrophobicContact CB-CD1 3.74Å; L30-L76 HydrophobicContact CD1-CD1 4.1Å; L76-L78 HydrophobicContact CB-CD2 4.24Å; L76-L78 HydrophobicContact CB-CG 4.39Å; L76-L88 HydrophobicContact CB-CD1 4.13Å; L76-L88 HydrophobicContact CD2-CD1 4.1Å; L76-N91 HydrophobicContact CD2-CB 3.65Å; L76-N91 WeakPolarHBondContact CD2-OD1 3.25Å; L76-G327 CarbonylContact O-C 3.55Å; L76-G327 WeakPolarHBondContact O-CA 3.21Å; L76-S328 PolarHBondContact N-O 3.5Å; L76-S328 PolarHBondContact O-N 3.15Å; L76-L330 HydrophobicContact CD1-CD1 4.21Å; L76-L330 HydrophobicContact CG-CD1 3.96Å |
| 77 | D | 98.2 | Very high | 97.4 | Very high | 2 Ų | 2 | 32.8 Ų | 32.8 | 1% | 0.011 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 116.5 | 173.5 | -74.6 | 1.6 | 0 | 0 | 0 | 108.3 | R75 L89 E90 N92 L325 I326 R341 | R75-D77 IonicContact CZ-OD1 2.71Å; R75-D77 IonicContact NE-OD1 3.08Å; R75-D77 PolarHBondContact NE-OD1 3.35Å; R75-D77 IonicContact NH2-OD1 3.7Å; R75-D77 IonicContact NH2-OD2 2.71Å; R75-D77 PolarHBondContact NH2-OD2 2.77Å; D77-L89 WeakPolarHBondContact O-CB 3.49Å; D77-L89 PolarHBondContact O-N 3.4Å; D77-E90 HydrophobicContact CB-CG 3.94Å; D77-E90 PolarHBondContact N-O 3.18Å; D77-N92 PolarHBondContact OD1-ND2 2.9Å; D77-N92 PolarHBondContact OD2-ND2 3.18Å; D77-L325 HydrophobicContact CB-CD1 4.18Å; D77-L325 HydrophobicContact CB-CD2 4.12Å; D77-L325 HydrophobicContact CB-CG 4.45Å; D77-I326 WeakPolarHBondContact CA-O 3.39Å; D77-R341 IonicContact OD1-NH2 3.39Å; D77-R341 IonicContact OD2-NH2 3.86Å; D77-R341 PolarHBondContact OD2-NH2 2.93Å |
| 78 | L | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 137.7 | -173.3 | -56.1 | -179.8 | 0 | 0 | 0 | 111.6 | L23 L30 L76 P86 K87 L88 L325 I326 | L23-L78 HydrophobicContact CD2-CD1 3.99Å; L30-L78 HydrophobicContact CD1-CD2 3.81Å; L76-L78 HydrophobicContact CB-CD2 4.24Å; L76-L78 HydrophobicContact CB-CG 4.39Å; L78-P86 HydrophobicContact CD1-CB 4.22Å; L78-K87 WeakPolarHBondContact CA-O 3.49Å; L78-L88 HydrophobicContact CD2-CB 4.35Å; L78-L88 HydrophobicContact CD2-CD1 4.07Å; L78-L325 WeakPolarHBondContact O-CD1 3.08Å; L78-I326 HydrophobicContact CB-CB 4.27Å; L78-I326 PolarHBondContact N-O 3.48Å; L78-I326 PolarHBondContact O-N 3.46Å |
| 79 | A | 98.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 117.5 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | K87 L89 L316 | A79-K87 HydrophobicContact CB-CB 4.44Å; A79-K87 PolarHBondContact N-O 2.81Å; A79-K87 PolarHBondContact O-N 2.97Å; A79-L89 HydrophobicContact CB-CD1 4.2Å; A79-L89 HydrophobicContact CB-CD2 4.08Å; A79-L89 HydrophobicContact CB-CG 4.25Å; A79-L316 HydrophobicContact CB-CD2 3.74Å |
| 80 | W | 97.9 | Very high | 97.6 | Very high | 16 Ų | 16 | 22.5 Ų | 22.5 | 6% | 0.061 | 14% | 0.135 | C | C | . | . | trans | -161.3 | 131.9 | -179.3 | -167.4 | 47.5 | 0 | 0 | 0 | 112.9 | Q19 K22 L23 T83 G84 P86 P317 I326 | Q19-W80 HydrophobicContact CB-CH2 3.73Å; Q19-W80 HydrophobicContact CB-CZ3 3.99Å; Q19-W80 HydrophobicContact CG-CH2 3.76Å; Q19-W80 HydrophobicContact CG-CZ3 4.33Å; K22-W80 HydrophobicContact CB-CH2 4.15Å; K22-W80 HydrophobicContact CG-CH2 4.09Å; K22-W80 HydrophobicContact CG-CZ2 4.04Å; L23-W80 HydrophobicContact CD1-CE3 4.14Å; L23-W80 HydrophobicContact CD1-CZ3 3.83Å; L23-W80 HydrophobicContact CD2-CE3 3.73Å; L23-W80 HydrophobicContact CD2-CZ3 3.96Å; L23-W80 HydrophobicContact CG-CE3 3.92Å; L23-W80 HydrophobicContact CG-CZ3 3.6Å; W80-T83 PolarHBondContact NE1-O 2.95Å; W80-G84 PolarHBondContact NE1-O 3.19Å; W80-P86 HydrophobicContact CB-CB 3.95Å; W80-P86 HydrophobicContact CB-CG 4.29Å; W80-P86 HydrophobicContact CD2-CB 4.36Å; W80-P86 HydrophobicContact CD2-CG 3.71Å; W80-P86 HydrophobicContact CE3-CG 4.23Å; W80-P86 HydrophobicContact CG-CB 3.92Å; W80-P86 HydrophobicContact CG-CG 3.74Å; W80-P86 HydrophobicContact CZ2-CG 4.47Å; W80-P317 WeakPolarHBondContact O-CG 3.43Å; W80-I326 HydrophobicContact CB-CD1 4.06Å; W80-I326 HydrophobicContact CE3-CD1 4.11Å | ||
| 81 | D | 94.5 | Very high | 97.6 | Very high | 96 Ų | 96 | 22.1 Ų | 22.1 | 51% | 0.513 | 13% | 0.132 | S | C | . | . | trans | -94.5 | 8.7 | 179.7 | 67.6 | 4.8 | 0 | 0 | 0 | 113.5 | T83 P317 | D81-T83 VanDerWaalsContact C-N 3.33Å; D81-T83 WeakPolarHBondContact OD1-CA 3.43Å; D81-T83 WeakPolarHBondContact OD1-CB 3.22Å; D81-T83 PolarHBondContact OD1-N 2.7Å; D81-T83 VanDerWaalsContact OD1-O 3.13Å; D81-T83 PolarHBondContact OD1-OG1 2.97Å; D81-T83 PolarHBondContact OD2-OG1 3.34Å; D81-P317 HydrophobicContact CB-CB 3.98Å; D81-P317 HydrophobicContact CB-CG 3.86Å | ||
| 82 | G | 95.2 | Very high | 97.6 | Very high | 16 Ų | 16 | 23.3 Ų | 23.3 | 17% | 0.165 | 14% | 0.138 | C | C | . | . | S | Bend | trans | 86.2 | 1.1 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q19 | Q19-G82 PolarHBondContact NE2-O 2.97Š|
| 83 | T | 94.6 | Very high | 97.6 | Very high | 97 Ų | 97 | 23.3 Ų | 23.3 | 60% | 0.595 | 14% | 0.138 | S | C | * | . | S | Bend | trans | -125.5 | 148.6 | 174.5 | 74 | 0 | 0 | 0 | 0 | 111.7 | W80 D81 | W80-T83 PolarHBondContact NE1-O 2.95Å; D81-T83 VanDerWaalsContact C-N 3.33Å; D81-T83 WeakPolarHBondContact OD1-CA 3.43Å; D81-T83 WeakPolarHBondContact OD1-CB 3.22Å; D81-T83 PolarHBondContact OD1-N 2.7Å; D81-T83 VanDerWaalsContact OD1-O 3.13Å; D81-T83 PolarHBondContact OD1-OG1 2.97Å; D81-T83 PolarHBondContact OD2-OG1 3.34Å |
| 84 | G | 95.6 | Very high | 97.5 | Very high | 58 Ų | 58 | 23.3 Ų | 23.3 | 60% | 0.598 | 14% | 0.139 | S | C | * | . | S | Bend | trans | 65.7 | -139.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | W80 | W80-G84 PolarHBondContact NE1-O 3.19Š|
| 85 | E | 97.7 | Very high | 97.4 | Very high | 71 Ų | 71 | 24 Ų | 24 | 33% | 0.332 | 14% | 0.142 | S | C | . | . | trans | -112.9 | 125.8 | -168.1 | -66.8 | -63.7 | 153.3 | 0 | 0 | 111.7 | K22 K87 P256 N257 | K22-E85 WeakPolarHBondContact CE-OE2 3.34Å; K22-E85 IonicContact NZ-OE1 2.86Å; K22-E85 PolarHBondContact NZ-OE1 3.43Å; K22-E85 IonicContact NZ-OE2 2.76Å; K22-E85 PolarHBondContact NZ-OE2 2.8Å; E85-K87 PolarHBondContact O-N 3.16Å; E85-P256 HydrophobicContact CB-CB 4.29Å; E85-P256 HydrophobicContact CG-CB 3.82Å; E85-N257 PolarHBondContact OE2-ND2 2.85Å | ||
| 86 | P | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 14% | 0.141 | C | C | . | . | trans | -57.8 | 136.7 | 172.4 | -19.2 | 27.1 | 0 | 0 | 0 | 111.4 | L23 V26 L78 W80 N257 | L23-P86 HydrophobicContact CD2-CG 4.17Å; V26-P86 HydrophobicContact CB-CG 4.46Å; V26-P86 HydrophobicContact CG1-CB 4.2Å; V26-P86 HydrophobicContact CG1-CG 4.29Å; V26-P86 HydrophobicContact CG2-CG 4.25Å; L78-P86 HydrophobicContact CD1-CB 4.22Å; W80-P86 HydrophobicContact CB-CB 3.95Å; W80-P86 HydrophobicContact CB-CG 4.29Å; W80-P86 HydrophobicContact CD2-CB 4.36Å; W80-P86 HydrophobicContact CD2-CG 3.71Å; W80-P86 HydrophobicContact CE3-CG 4.23Å; W80-P86 HydrophobicContact CG-CB 3.92Å; W80-P86 HydrophobicContact CG-CG 3.74Å; W80-P86 HydrophobicContact CZ2-CG 4.47Å; P86-N257 VanDerWaalsContact O-CA 3.24Å; P86-N257 WeakPolarHBondContact O-CA 3.43Å; P86-N257 WeakPolarHBondContact O-CB 3.27Å; P86-N257 PolarHBondContact O-ND2 3.31Å | ||
| 87 | K | 98.7 | Very high | 96.8 | Very high | 40 Ų | 40 | 24 Ų | 24 | 17% | 0.174 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 125 | -179.8 | -65.2 | -58.7 | -165 | 166.5 | 0 | 112 | L78 A79 E85 L89 P256 L258 L259 | L78-K87 WeakPolarHBondContact CA-O 3.49Å; A79-K87 HydrophobicContact CB-CB 4.44Å; A79-K87 PolarHBondContact N-O 2.81Å; A79-K87 PolarHBondContact O-N 2.97Å; E85-K87 PolarHBondContact O-N 3.16Å; K87-L89 PolarHBondContact O-N 3.13Å; K87-P256 WeakPolarHBondContact CD-O 3.47Å; K87-P256 VanDerWaalsContact CE-O 3.28Å; K87-P256 WeakPolarHBondContact CE-O 3.39Å; K87-P256 PolarHBondContact NZ-O 2.88Å; K87-L258 PolarHBondContact NZ-O 2.97Å; K87-L259 HydrophobicContact CB-CD1 4.3Å; K87-L259 HydrophobicContact CB-CD2 4.43Å; K87-L259 HydrophobicContact CB-CG 4.29Å; K87-L259 HydrophobicContact CD-CD2 4.09Å; K87-L259 HydrophobicContact CD-CG 4.43Å; K87-L259 HydrophobicContact CG-CD2 4.2Å |
| 88 | L | 98.7 | Very high | 96.6 | Very high | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.005 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 121 | 174.5 | -178.4 | 66.2 | 0 | 0 | 0 | 111.2 | L30 L76 L78 E90 L245 L248 N257 L258 Q311 | L30-L88 HydrophobicContact CD1-CB 4.01Å; L30-L88 HydrophobicContact CD1-CD1 4.31Å; L30-L88 HydrophobicContact CD2-CB 4.23Å; L30-L88 HydrophobicContact CD2-CD2 4.17Å; L76-L88 HydrophobicContact CB-CD1 4.13Å; L76-L88 HydrophobicContact CD2-CD1 4.1Å; L78-L88 HydrophobicContact CD2-CB 4.35Å; L78-L88 HydrophobicContact CD2-CD1 4.07Å; L88-E90 VanDerWaalsContact CD1-O 3.23Å; L88-E90 WeakPolarHBondContact CD1-O 3.23Å; L88-L245 HydrophobicContact CD2-CD2 4.26Å; L88-L245 HydrophobicContact CG-CD2 4.43Å; L88-L248 HydrophobicContact CD2-CD1 3.69Å; L88-N257 PolarHBondContact N-O 2.67Å; L88-L258 HydrophobicContact CB-CD2 4.37Å; L88-L258 HydrophobicContact CD2-CD2 4.1Å; L88-Q311 PolarHBondContact O-NE2 3.49Å |
| 89 | L | 98.1 | Very high | 96.5 | Very high | 25 Ų | 25 | 24 Ų | 24 | 13% | 0.131 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | -41.5 | 174 | -55.8 | -172.9 | 0 | 0 | 0 | 112 | D77 A79 K87 L245 L259 K277 Q311 L316 L325 | D77-L89 WeakPolarHBondContact O-CB 3.49Å; D77-L89 PolarHBondContact O-N 3.4Å; A79-L89 HydrophobicContact CB-CD1 4.2Å; A79-L89 HydrophobicContact CB-CD2 4.08Å; A79-L89 HydrophobicContact CB-CG 4.25Å; K87-L89 PolarHBondContact O-N 3.13Å; L89-L245 VanDerWaalsContact O-CD1 3.31Å; L89-L245 WeakPolarHBondContact O-CD1 3.28Å; L89-L259 HydrophobicContact CD2-CD1 3.97Å; L89-K277 PolarHBondContact O-NZ 3.4Å; L89-Q311 PolarHBondContact O-OE1 3.32Å; L89-L316 HydrophobicContact CD1-CD2 3.79Å; L89-L325 HydrophobicContact CD1-CD1 3.45Å; L89-L325 VanDerWaalsContact CD1-CD1 3.45Å |
| 90 | E | 98.1 | Very high | 96.3 | Very high | 26 Ų | 26 | 27 Ų | 27 | 12% | 0.121 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -167.4 | 169.3 | 175.2 | 63.1 | -174.4 | 141.8 | 0 | 0 | 112 | D77 L88 K242 | D77-E90 HydrophobicContact CB-CG 3.94Å; D77-E90 PolarHBondContact N-O 3.18Å; L88-E90 VanDerWaalsContact CD1-O 3.23Å; L88-E90 WeakPolarHBondContact CD1-O 3.23Å; E90-K242 WeakPolarHBondContact OE2-CE 3.45Å; E90-K242 IonicContact OE2-NZ 2.7Å; E90-K242 PolarHBondContact OE2-NZ 2.84Å |
| 91 | N | 98 | Very high | 96.1 | Very high | 4 Ų | 4 | 27.3 Ų | 27.3 | 2% | 0.021 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 110.5 | 174.8 | -178.4 | -1.6 | 0 | 0 | 0 | 109.2 | L76 A93 I239 S240 L244 | L76-N91 HydrophobicContact CD2-CB 3.65Å; L76-N91 WeakPolarHBondContact CD2-OD1 3.25Å; N91-A93 PolarHBondContact O-N 2.97Å; N91-A93 WeakPolarHBondContact OD1-CB 3.09Å; N91-I239 WeakPolarHBondContact CB-O 3.43Å; N91-S240 WeakPolarHBondContact O-CA 3.48Å; N91-L244 HydrophobicContact CB-CD2 3.79Å |
| 92 | N | 97.6 | Very high | 96.2 | Very high | 25 Ų | 25 | 22.7 Ų | 22.7 | 13% | 0.134 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 83.4 | 174.2 | -59.5 | -78.4 | 0 | 0 | 0 | 108.4 | R75 D77 P96 | R75-N92 HydrophobicContact CB-CB 4.36Å; R75-N92 PolarHBondContact N-O 3.31Å; R75-N92 PolarHBondContact NH2-ND2 3.06Å; R75-N92 WeakPolarHBondContact O-CB 3.39Å; R75-N92 PolarHBondContact O-N 3.13Å; D77-N92 PolarHBondContact OD1-ND2 2.9Å; D77-N92 PolarHBondContact OD2-ND2 3.18Å; N92-P96 HydrophobicContact CB-CB 3.87Å; N92-P96 WeakPolarHBondContact O-CB 3.46Å; N92-P96 VanDerWaalsContact O-CG 3.28Å; N92-P96 WeakPolarHBondContact O-CG 3.33Å |
| 93 | A | 97.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 13% | 0.127 | C | C | . | . | trans | -99.6 | -18.8 | -171.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | N91 K236 I239 S240 | N91-A93 PolarHBondContact O-N 2.97Å; N91-A93 WeakPolarHBondContact OD1-CB 3.09Å; A93-K236 HydrophobicContact CB-CD 4.46Å; A93-K236 HydrophobicContact CB-CG 4.43Å; A93-K236 VanDerWaalsContact O-CD 3.26Å; A93-K236 WeakPolarHBondContact O-CD 3.12Å; A93-K236 WeakPolarHBondContact O-CE 3.5Å; A93-K236 PolarHBondContact O-NZ 2.64Å; A93-I239 HydrophobicContact CB-CD1 3.41Å; A93-I239 VanDerWaalsContact CB-CD1 3.41Å; A93-I239 HydrophobicContact CB-CG1 3.62Å; A93-S240 WeakPolarHBondContact CB-OG 3.43Å; A93-S240 PolarHBondContact N-OG 3.35Å | ||
| 94 | D | 97 | Very high | 96.2 | Very high | 1 Ų | 1 | 20.6 Ų | 20.6 | 1% | 0.005 | 11% | 0.112 | C | C | . | . | S | Bend | trans | -92.9 | -47.3 | -175.2 | 179.3 | 37.4 | 0 | 0 | 0 | 112.1 | K207 P210 W211 S240 R282 | D94-K207 VanDerWaalsContact CG-NZ 3.28Å; D94-K207 WeakPolarHBondContact OD1-CE 3.06Å; D94-K207 IonicContact OD1-NZ 3.91Å; D94-K207 PolarHBondContact OD1-NZ 3.3Å; D94-K207 IonicContact OD2-NZ 3.59Å; D94-K207 PolarHBondContact OD2-NZ 3.42Å; D94-K207 VanDerWaalsContact OD2-NZ 3.08Å; D94-P210 WeakPolarHBondContact OD2-CA 3.29Å; D94-W211 VanDerWaalsContact CG-CD1 3.45Å; D94-W211 PolarHBondContact OD1-NE1 3.28Å; D94-W211 PolarHBondContact OD2-N 3.48Å; D94-S240 WeakPolarHBondContact CB-OG 3.33Å; D94-S240 PolarHBondContact N-OG 3.11Å; D94-R282 IonicContact OD2-NH2 3.9Å |
| 95 | T | 95.3 | Very high | 96.1 | Very high | 13 Ų | 13 | 21.6 Ų | 21.6 | 8% | 0.08 | 10% | 0.1 | C | C | . | . | S | Bend | trans | -146.6 | 53 | -168.9 | 34.5 | 0 | 0 | 0 | 0 | 112 | T97 L208 R282 | T95-T97 PolarHBondContact O-N 2.87Å; T95-L208 HydrophobicContact CG2-CD1 4Å; T95-R282 PolarHBondContact OG1-NH1 3.49Å; T95-R282 PolarHBondContact OG1-NH2 3.38Å |
| 96 | P | 93.8 | Very high | 95.9 | Very high | 2 Ų | 2 | 18.2 Ų | 18.2 | 1% | 0.013 | 9% | 0.085 | C | C | . | . | trans | -72.6 | 126 | 176.5 | 29.2 | -31.8 | 0 | 0 | 0 | 111.8 | Y73 R75 N92 W329 | Y73-P96 HydrophobicContact CD2-CG 3.84Å; Y73-P96 HydrophobicContact CE2-CB 4.44Å; Y73-P96 HydrophobicContact CE2-CG 3.46Å; Y73-P96 VanDerWaalsContact CE2-CG 3.46Å; Y73-P96 WeakPolarHBondContact CE2-O 3.34Å; Y73-P96 PolarHBondContact OH-O 3.27Å; R75-P96 HydrophobicContact CB-CB 3.72Å; R75-P96 HydrophobicContact CB-CG 4.43Å; N92-P96 HydrophobicContact CB-CB 3.87Å; N92-P96 WeakPolarHBondContact O-CB 3.46Å; N92-P96 VanDerWaalsContact O-CG 3.28Å; N92-P96 WeakPolarHBondContact O-CG 3.33Å; P96-W329 HydrophobicContact CB-CH2 4.04Å; P96-W329 HydrophobicContact CB-CZ3 3.83Å; P96-W329 HydrophobicContact CG-CZ3 3.91Å | ||
| 97 | T | 91.8 | Very high | 95.8 | Very high | 11 Ų | 11 | 22.4 Ų | 22.4 | 7% | 0.067 | 10% | 0.1 | C | C | . | . | trans | -92.3 | -173.2 | 172 | 61.4 | 0 | 0 | 0 | 0 | 111.7 | R75 T95 L99 E159 W329 | R75-T97 PolarHBondContact NH1-O 3.41Å; T95-T97 PolarHBondContact O-N 2.87Å; T97-L99 PolarHBondContact O-N 3.2Å; T97-E159 VanDerWaalsContact CB-OE1 3.25Å; T97-E159 WeakPolarHBondContact CB-OE1 3.43Å; T97-E159 PolarHBondContact OG1-OE1 3.32Å; T97-W329 WeakPolarHBondContact O-CH2 3.24Å; T97-W329 WeakPolarHBondContact O-CZ2 3.4Å | ||
| 98 | S | 93.4 | Very high | 95.6 | Very high | 3 Ų | 3 | 23.2 Ų | 23.2 | 2% | 0.021 | 11% | 0.106 | C | C | . | . | trans | 64.7 | 11.6 | -170.6 | -42.6 | 0 | 0 | 0 | 0 | 115.4 | Y6 E101 A102 | Y6-S98 PolarHBondContact OH-OG 2.91Å; S98-E101 WeakPolarHBondContact CA-OE2 3.34Å; S98-A102 WeakPolarHBondContact O-CB 3.2Å; S98-A102 PolarHBondContact O-N 2.86Å; S98-A102 VanDerWaalsContact O-N 3.09Å | ||
| 99 | L | 95.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -65.7 | -43.5 | 179.5 | 176.5 | 66.8 | 0 | 0 | 0 | 110.7 | Y73 T97 E101 A102 A103 L129 L133 T163 Y166 L167 W329 | Y73-L99 HydrophobicContact CD2-CD1 4.11Å; Y73-L99 HydrophobicContact CD2-CD2 3.94Å; Y73-L99 HydrophobicContact CD2-CG 4.49Å; Y73-L99 HydrophobicContact CE2-CB 4.15Å; Y73-L99 HydrophobicContact CE2-CD1 4.3Å; Y73-L99 HydrophobicContact CE2-CD2 3.6Å; Y73-L99 HydrophobicContact CE2-CG 4.22Å; T97-L99 PolarHBondContact O-N 3.2Å; L99-E101 VanDerWaalsContact C-N 3.32Å; L99-E101 PolarHBondContact O-N 3.48Å; L99-A102 PolarHBondContact O-N 3.41Å; L99-A103 VanDerWaalsContact O-CB 3.24Å; L99-A103 WeakPolarHBondContact O-CB 3.41Å; L99-A103 PolarHBondContact O-N 3.17Å; L99-L129 HydrophobicContact CD1-CD1 4.43Å; L99-L129 HydrophobicContact CD1-CD2 4.21Å; L99-L133 HydrophobicContact CD1-CD1 4.24Å; L99-L133 HydrophobicContact CD2-CD1 4.02Å; L99-L133 HydrophobicContact CG-CD1 4.49Å; L99-T163 HydrophobicContact CB-CG2 4.42Å; L99-Y166 HydrophobicContact CD2-CD1 3.88Å; L99-Y166 HydrophobicContact CD2-CE1 3.74Å; L99-Y166 HydrophobicContact CG-CD1 4.07Å; L99-Y166 HydrophobicContact CG-CE1 3.76Å; L99-L167 HydrophobicContact CD2-CD2 3.67Å; L99-L167 HydrophobicContact CD2-CG 4.21Å; L99-W329 VanDerWaalsContact CA-CH2 3.47Å; L99-W329 HydrophobicContact CB-CH2 3.59Å; L99-W329 HydrophobicContact CB-CZ2 4.21Å; L99-W329 HydrophobicContact CB-CZ3 3.98Å; L99-W329 HydrophobicContact CD1-CD2 4.28Å; L99-W329 HydrophobicContact CD1-CE3 3.85Å; L99-W329 HydrophobicContact CD1-CH2 4.09Å; L99-W329 HydrophobicContact CD1-CZ3 3.77Å; L99-W329 HydrophobicContact CG-CH2 4.46Å; L99-W329 HydrophobicContact CG-CZ3 4.43Å |
| 100 | Y | 94 | Very high | 95.5 | Very high | 63 Ų | 63 | 22.5 Ų | 22.5 | 25% | 0.247 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -65.7 | -39.4 | -176.3 | -175.7 | -149.4 | 0 | 0 | 0 | 111.3 | F104 F105 Y166 | Y100-F104 HydrophobicContact CD2-CB 3.64Å; Y100-F104 HydrophobicContact CD2-CD1 4.37Å; Y100-F104 HydrophobicContact CD2-CG 4.27Å; Y100-F104 HydrophobicContact CE2-CB 3.55Å; Y100-F104 AromaticContact CE2-CD1 3.43Å; Y100-F104 HydrophobicContact CE2-CD1 3.43Å; Y100-F104 VanDerWaalsContact CE2-CD1 3.43Å; Y100-F104 HydrophobicContact CE2-CE1 4.28Å; Y100-F104 AromaticContact CE2-CG 3.66Å; Y100-F104 HydrophobicContact CE2-CG 3.66Å; Y100-F104 AromaticContact CZ-CD1 3.95Å; Y100-F104 WeakPolarHBondContact O-CB 3.37Å; Y100-F104 PolarHBondContact O-N 3.47Å; Y100-F105 HydrophobicContact CD1-CD2 4.2Å; Y100-F105 AromaticContact CD1-CE2 3.51Å; Y100-F105 HydrophobicContact CD1-CE2 3.51Å; Y100-F105 HydrophobicContact CD1-CZ 4.41Å; Y100-F105 HydrophobicContact CD2-CE2 4.46Å; Y100-F105 HydrophobicContact CE1-CD2 4.22Å; Y100-F105 AromaticContact CE1-CE2 3.28Å; Y100-F105 HydrophobicContact CE1-CE2 3.28Å; Y100-F105 AromaticContact CE1-CZ 3.75Å; Y100-F105 HydrophobicContact CE1-CZ 3.75Å; Y100-F105 HydrophobicContact CE2-CE2 4.29Å; Y100-F105 HydrophobicContact CG-CD2 4.35Å; Y100-F105 HydrophobicContact CG-CE2 4.1Å; Y100-F105 AromaticContact CZ-CE2 3.69Å; Y100-F105 PolarHBondContact O-N 2.74Å; Y100-Y166 HydrophobicContact CD2-CD1 4.43Å; Y100-Y166 AromaticContact CD2-CD2 3.4Å; Y100-Y166 HydrophobicContact CD2-CD2 3.4Å; Y100-Y166 VanDerWaalsContact CD2-CD2 3.4Å; Y100-Y166 HydrophobicContact CD2-CE2 4.17Å; Y100-Y166 AromaticContact CD2-CG 3.56Å; Y100-Y166 HydrophobicContact CD2-CG 3.56Å; Y100-Y166 AromaticContact CE2-CD2 3.79Å; Y100-Y166 HydrophobicContact CE2-CD2 3.79Å; Y100-Y166 HydrophobicContact CE2-CG 4.27Å; Y100-Y166 HydrophobicContact CG-CD2 4.4Å; Y100-Y166 HydrophobicContact CG-CG 4.14Å |
| 101 | E | 94.2 | Very high | 95.4 | Very high | 21 Ų | 21 | 25.4 Ų | 25.4 | 10% | 0.098 | 12% | 0.115 | C | C | . | . | I | π-helix | trans | -62.2 | -49.8 | 173.2 | -68.7 | 75.4 | -170 | 0 | 0 | 111.8 | Y6 W7 S98 L99 F105 Q106 F354 | Y6-E101 HydrophobicContact CD1-CG 4.33Å; Y6-E101 HydrophobicContact CE1-CG 3.65Å; Y6-E101 WeakPolarHBondContact CE1-OE1 3.44Å; W7-E101 HydrophobicContact CE3-CB 4.49Å; S98-E101 WeakPolarHBondContact CA-OE2 3.34Å; L99-E101 VanDerWaalsContact C-N 3.32Å; L99-E101 PolarHBondContact O-N 3.48Å; E101-F105 HydrophobicContact CG-CD2 4.36Å; E101-Q106 WeakPolarHBondContact O-CB 3.09Å; E101-Q106 PolarHBondContact O-N 3.38Å; E101-Q106 VanDerWaalsContact O-N 3.09Å; E101-F354 HydrophobicContact CB-CD2 3.86Å; E101-F354 HydrophobicContact CB-CE2 3.89Å; E101-F354 HydrophobicContact CB-CG 4.19Å; E101-F354 HydrophobicContact CB-CZ 4.26Å |
| 102 | A | 96.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 14% | 0.139 | C | C | . | . | I | π-helix | trans | -66.3 | -39.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113 | S98 L99 Q106 N127 L129 W329 F354 | S98-A102 WeakPolarHBondContact O-CB 3.2Å; S98-A102 PolarHBondContact O-N 2.86Å; S98-A102 VanDerWaalsContact O-N 3.09Å; L99-A102 PolarHBondContact O-N 3.41Å; A102-Q106 PolarHBondContact O-NE2 3.02Å; A102-N127 PolarHBondContact O-ND2 3.47Å; A102-N127 VanDerWaalsContact O-ND2 3.13Å; A102-L129 HydrophobicContact CB-CD1 3.9Å; A102-W329 HydrophobicContact CB-CZ2 4.33Å; A102-F354 HydrophobicContact CB-CE2 4.23Å; A102-F354 HydrophobicContact CB-CZ 3.9Å |
| 103 | A | 96.2 | Very high | 95.3 | Very high | 2 Ų | 2 | 30.7 Ų | 30.7 | 2% | 0.017 | 14% | 0.142 | C | C | . | . | I | π-helix | trans | -85.3 | -46.3 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | L99 N127 L129 Y166 | L99-A103 VanDerWaalsContact O-CB 3.24Å; L99-A103 WeakPolarHBondContact O-CB 3.41Å; L99-A103 PolarHBondContact O-N 3.17Å; A103-N127 PolarHBondContact O-ND2 2.93Å; A103-L129 HydrophobicContact CB-CB 3.51Å; A103-L129 HydrophobicContact CB-CD1 3.91Å; A103-L129 HydrophobicContact CB-CG 4.34Å; A103-Y166 HydrophobicContact CB-CE1 4.07Å; A103-Y166 HydrophobicContact CB-CE2 4.37Å; A103-Y166 WeakPolarHBondContact CB-OH 3.35Å |
| 104 | F | 93.1 | Very high | 95.2 | Very high | 66 Ų | 66 | 34.1 Ų | 34.1 | 29% | 0.289 | 16% | 0.16 | S | C | . | . | I | π-helix | trans | -108.4 | -55.8 | -165 | -169 | -104.4 | 0 | 0 | 0 | 113.3 | Y100 Q106 W107 I108 Y166 | Y100-F104 HydrophobicContact CD2-CB 3.64Å; Y100-F104 HydrophobicContact CD2-CD1 4.37Å; Y100-F104 HydrophobicContact CD2-CG 4.27Å; Y100-F104 HydrophobicContact CE2-CB 3.55Å; Y100-F104 AromaticContact CE2-CD1 3.43Å; Y100-F104 HydrophobicContact CE2-CD1 3.43Å; Y100-F104 VanDerWaalsContact CE2-CD1 3.43Å; Y100-F104 HydrophobicContact CE2-CE1 4.28Å; Y100-F104 AromaticContact CE2-CG 3.66Å; Y100-F104 HydrophobicContact CE2-CG 3.66Å; Y100-F104 AromaticContact CZ-CD1 3.95Å; Y100-F104 WeakPolarHBondContact O-CB 3.37Å; Y100-F104 PolarHBondContact O-N 3.47Å; F104-Q106 VanDerWaalsContact C-N 3.28Å; F104-Q106 PolarHBondContact O-N 3.26Å; F104-W107 WeakPolarHBondContact O-CB 3.49Å; F104-W107 PolarHBondContact O-N 3.04Å; F104-W107 VanDerWaalsContact O-N 3.12Å; F104-I108 HydrophobicContact CD1-CD1 3.7Å; F104-I108 HydrophobicContact CE1-CD1 3.25Å; F104-I108 HydrophobicContact CE1-CG1 4.34Å; F104-I108 HydrophobicContact CE2-CD1 4.49Å; F104-I108 HydrophobicContact CG-CD1 4.5Å; F104-I108 HydrophobicContact CZ-CD1 3.71Å; F104-I108 PolarHBondContact O-N 2.72Å; F104-Y166 HydrophobicContact CB-CE2 4.19Å |
| 105 | F | 93.1 | Very high | 95.2 | Very high | 80 Ų | 80 | 40.7 Ų | 40.7 | 35% | 0.351 | 20% | 0.195 | S | C | . | . | I | π-helix | trans | -61.9 | -40.4 | -178.7 | -75.7 | -73 | 0 | 0 | 0 | 112 | W7 Y100 E101 W107 I108 W109 | W7-F105 HydrophobicContact CE3-CB 4.21Å; W7-F105 HydrophobicContact CH2-CB 4.43Å; W7-F105 HydrophobicContact CZ3-CB 4.14Å; Y100-F105 HydrophobicContact CD1-CD2 4.2Å; Y100-F105 AromaticContact CD1-CE2 3.51Å; Y100-F105 HydrophobicContact CD1-CE2 3.51Å; Y100-F105 HydrophobicContact CD1-CZ 4.41Å; Y100-F105 HydrophobicContact CD2-CE2 4.46Å; Y100-F105 HydrophobicContact CE1-CD2 4.22Å; Y100-F105 AromaticContact CE1-CE2 3.28Å; Y100-F105 HydrophobicContact CE1-CE2 3.28Å; Y100-F105 AromaticContact CE1-CZ 3.75Å; Y100-F105 HydrophobicContact CE1-CZ 3.75Å; Y100-F105 HydrophobicContact CE2-CE2 4.29Å; Y100-F105 HydrophobicContact CG-CD2 4.35Å; Y100-F105 HydrophobicContact CG-CE2 4.1Å; Y100-F105 AromaticContact CZ-CE2 3.69Å; Y100-F105 PolarHBondContact O-N 2.74Å; E101-F105 HydrophobicContact CG-CD2 4.36Å; F105-W107 VanDerWaalsContact C-N 3.29Å; F105-W107 PolarHBondContact O-N 2.97Å; F105-I108 PolarHBondContact O-N 3.1Å; F105-W109 WeakPolarHBondContact O-CB 3.41Å; F105-W109 PolarHBondContact O-N 3.25Å |
| 106 | Q | 95.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65.7 | -31.1 | 177.5 | -177.8 | 176.7 | -117.1 | 0 | 0 | 113.1 | W7 E101 A102 F104 L110 Q125 I338 P356 H357 | W7-Q106 VanDerWaalsContact CH2-CA 3.42Å; W7-Q106 HydrophobicContact CH2-CB 3.62Å; W7-Q106 HydrophobicContact CH2-CG 4.18Å; W7-Q106 HydrophobicContact CZ3-CB 4.04Å; E101-Q106 WeakPolarHBondContact O-CB 3.09Å; E101-Q106 PolarHBondContact O-N 3.38Å; E101-Q106 VanDerWaalsContact O-N 3.09Å; A102-Q106 PolarHBondContact O-NE2 3.02Å; F104-Q106 VanDerWaalsContact C-N 3.28Å; F104-Q106 PolarHBondContact O-N 3.26Å; Q106-L110 PolarHBondContact O-N 2.98Å; Q106-Q125 VanDerWaalsContact CG-CD 3.47Å; Q106-Q125 PolarHBondContact O-NE2 2.69Å; Q106-Q125 PolarHBondContact O-OE1 3.18Å; Q106-I338 PolarHBondContact NE2-O 3.06Å; Q106-P356 HydrophobicContact CG-CB 4.41Å; Q106-H357 PolarHBondContact NE2-CE1 3.21Å; Q106-H357 VanDerWaalsContact NE2-CE1 3.29Å; Q106-H357 PolarHBondContact NE2-ND1 2.83Å; Q106-H357 PolarHBondContact OE1-ND1 2.97Å |
| 107 | W | 95.5 | Very high | 95.3 | Very high | 87 Ų | 87 | 45.9 Ų | 45.9 | 33% | 0.33 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -70.5 | -48.6 | 171.7 | 175.1 | -96.5 | 0 | 0 | 0 | 111.8 | F104 F105 W109 L110 E111 | F104-W107 WeakPolarHBondContact O-CB 3.49Å; F104-W107 PolarHBondContact O-N 3.04Å; F104-W107 VanDerWaalsContact O-N 3.12Å; F105-W107 VanDerWaalsContact C-N 3.29Å; F105-W107 PolarHBondContact O-N 2.97Å; W107-W109 VanDerWaalsContact C-N 3.26Å; W107-W109 PolarHBondContact O-N 2.75Å; W107-L110 HydrophobicContact CE3-CD2 4.18Å; W107-L110 HydrophobicContact CZ3-CD2 4.01Å; W107-L110 WeakPolarHBondContact O-CB 3.23Å; W107-L110 PolarHBondContact O-N 3.05Å; W107-E111 HydrophobicContact CZ2-CG 4.1Å; W107-E111 PolarHBondContact NE1-OE2 2.86Å; W107-E111 PolarHBondContact O-N 2.96Å |
| 108 | I | 95.4 | Very high | 95.6 | Very high | 58 Ų | 58 | 50.1 Ų | 50.1 | 30% | 0.297 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -56.4 | -44.5 | 176.3 | -69.4 | 174.4 | 0 | 0 | 0 | 110.8 | F104 F105 L110 E111 D112 | F104-I108 HydrophobicContact CD1-CD1 3.7Å; F104-I108 HydrophobicContact CE1-CD1 3.25Å; F104-I108 HydrophobicContact CE1-CG1 4.34Å; F104-I108 HydrophobicContact CE2-CD1 4.49Å; F104-I108 HydrophobicContact CG-CD1 4.5Å; F104-I108 HydrophobicContact CZ-CD1 3.71Å; F104-I108 PolarHBondContact O-N 2.72Å; F105-I108 PolarHBondContact O-N 3.1Å; I108-L110 VanDerWaalsContact C-N 3.32Å; I108-L110 PolarHBondContact O-N 3.14Å; I108-E111 PolarHBondContact O-N 3.5Å; I108-D112 WeakPolarHBondContact O-CB 3.35Å; I108-D112 PolarHBondContact O-N 3.31Å |
| 109 | W | 96.9 | Very high | 95.7 | Very high | 8 Ų | 8 | 50.9 Ų | 50.9 | 3% | 0.03 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -58.1 | -44.1 | 176.2 | 171.7 | 89.9 | 0 | 0 | 0 | 111.9 | W7 Y12 F105 W107 D112 Q113 L119 P356 I358 | W7-W109 HydrophobicContact CZ2-CB 3.77Å; W7-W109 HydrophobicContact CZ2-CG 4.02Å; Y12-W109 HydrophobicContact CD1-CH2 4.24Å; Y12-W109 HydrophobicContact CD1-CZ2 4.02Å; Y12-W109 HydrophobicContact CD2-CH2 4.16Å; Y12-W109 AromaticContact CG-CH2 3.75Å; Y12-W109 HydrophobicContact CG-CH2 3.75Å; Y12-W109 AromaticContact CG-CZ2 3.89Å; Y12-W109 HydrophobicContact CG-CZ2 3.89Å; F105-W109 WeakPolarHBondContact O-CB 3.41Å; F105-W109 PolarHBondContact O-N 3.25Å; W107-W109 VanDerWaalsContact C-N 3.26Å; W107-W109 PolarHBondContact O-N 2.75Å; W109-D112 PolarHBondContact O-N 2.94Å; W109-Q113 HydrophobicContact CD2-CG 4.03Å; W109-Q113 HydrophobicContact CG-CG 4.28Å; W109-Q113 HydrophobicContact CZ2-CG 3.93Å; W109-Q113 WeakPolarHBondContact O-CB 3.28Å; W109-Q113 WeakPolarHBondContact O-CG 3.27Å; W109-Q113 PolarHBondContact O-N 3.48Å; W109-L119 HydrophobicContact CH2-CD1 4.42Å; W109-L119 HydrophobicContact CH2-CD2 4.09Å; W109-L119 HydrophobicContact CZ2-CD2 4.48Å; W109-L119 HydrophobicContact CZ3-CD1 4.48Å; W109-P356 HydrophobicContact CD2-CB 3.42Å; W109-P356 VanDerWaalsContact CD2-CB 3.42Å; W109-P356 HydrophobicContact CD2-CG 3.65Å; W109-P356 HydrophobicContact CE3-CB 3.39Å; W109-P356 HydrophobicContact CE3-CG 4.08Å; W109-P356 HydrophobicContact CG-CB 4.04Å; W109-P356 HydrophobicContact CG-CG 4.16Å; W109-P356 HydrophobicContact CH2-CB 3.94Å; W109-P356 HydrophobicContact CH2-CG 4.05Å; W109-P356 HydrophobicContact CZ2-CB 3.96Å; W109-P356 HydrophobicContact CZ2-CG 3.61Å; W109-P356 HydrophobicContact CZ3-CB 3.66Å; W109-P356 HydrophobicContact CZ3-CG 4.27Å; W109-I358 HydrophobicContact CH2-CG2 3.77Å; W109-I358 HydrophobicContact CZ3-CG2 3.58Å |
| 110 | L | 96.7 | Very high | 95.7 | Very high | 2 Ų | 2 | 53.3 Ų | 53.3 | 1% | 0.01 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.5 | -49.8 | 177.5 | 173 | 69.9 | 0 | 0 | 0 | 110.4 | Q106 W107 I108 D112 Q113 L114 L119 Q125 I358 | Q106-L110 PolarHBondContact O-N 2.98Å; W107-L110 HydrophobicContact CE3-CD2 4.18Å; W107-L110 HydrophobicContact CZ3-CD2 4.01Å; W107-L110 WeakPolarHBondContact O-CB 3.23Å; W107-L110 PolarHBondContact O-N 3.05Å; I108-L110 VanDerWaalsContact C-N 3.32Å; I108-L110 PolarHBondContact O-N 3.14Å; L110-D112 PolarHBondContact O-N 3.09Å; L110-Q113 PolarHBondContact O-N 3.06Å; L110-L114 HydrophobicContact CD1-CD1 3.96Å; L110-L114 HydrophobicContact CD1-CG 4.11Å; L110-L114 HydrophobicContact CD2-CD1 4.47Å; L110-L114 HydrophobicContact CG-CD1 3.89Å; L110-L114 HydrophobicContact CG-CG 4.41Å; L110-L114 WeakPolarHBondContact O-CB 3.33Å; L110-L114 WeakPolarHBondContact O-CG 3.47Å; L110-L114 PolarHBondContact O-N 2.67Å; L110-L119 HydrophobicContact CD1-CD1 3.69Å; L110-Q125 HydrophobicContact CD2-CB 3.72Å; L110-I358 HydrophobicContact CD1-CG2 3.95Å |
| 111 | E | 96.2 | Very high | 95.5 | Very high | 87 Ų | 87 | 59.9 Ų | 59.9 | 41% | 0.407 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -59.7 | -46.5 | -180 | -68.8 | -165.9 | 108.2 | 0 | 0 | 111.9 | W107 I108 Q113 L114 N115 | W107-E111 HydrophobicContact CZ2-CG 4.1Å; W107-E111 PolarHBondContact NE1-OE2 2.86Å; W107-E111 PolarHBondContact O-N 2.96Å; I108-E111 PolarHBondContact O-N 3.5Å; E111-Q113 PolarHBondContact O-N 2.66Å; E111-L114 PolarHBondContact O-N 3.42Å; E111-N115 VanDerWaalsContact O-CB 3.32Å; E111-N115 WeakPolarHBondContact O-CB 3.38Å; E111-N115 PolarHBondContact O-N 2.64Å; E111-N115 PolarHBondContact O-ND2 3.1Å |
| 112 | D | 96.6 | Very high | 95.5 | Very high | 98 Ų | 98 | 61.6 Ų | 61.6 | 52% | 0.524 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.4 | -42.9 | 179.4 | -79.8 | -16 | 0 | 0 | 0 | 111.9 | I108 W109 L110 N115 A116 | I108-D112 WeakPolarHBondContact O-CB 3.35Å; I108-D112 PolarHBondContact O-N 3.31Å; W109-D112 PolarHBondContact O-N 2.94Å; L110-D112 PolarHBondContact O-N 3.09Å; D112-N115 PolarHBondContact O-N 3.37Å; D112-A116 VanDerWaalsContact O-CB 3.28Å; D112-A116 WeakPolarHBondContact O-CB 3.13Å; D112-A116 PolarHBondContact O-N 3.33Å |
| 113 | Q | 97.3 | Very high | 95.5 | Very high | 42 Ų | 42 | 62 Ų | 62 | 20% | 0.196 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -72.8 | -33.5 | 180 | -64.1 | -61.9 | -35.4 | 0 | 0 | 112.8 | W109 L110 E111 G117 N118 L119 | W109-Q113 HydrophobicContact CD2-CG 4.03Å; W109-Q113 HydrophobicContact CG-CG 4.28Å; W109-Q113 HydrophobicContact CZ2-CG 3.93Å; W109-Q113 WeakPolarHBondContact O-CB 3.28Å; W109-Q113 WeakPolarHBondContact O-CG 3.27Å; W109-Q113 PolarHBondContact O-N 3.48Å; L110-Q113 PolarHBondContact O-N 3.06Å; E111-Q113 PolarHBondContact O-N 2.66Å; Q113-G117 PolarHBondContact O-N 3.32Å; Q113-N118 HydrophobicContact CB-CB 4.5Å; Q113-N118 PolarHBondContact O-N 2.84Å; Q113-N118 PolarHBondContact OE1-ND2 2.66Å; Q113-L119 HydrophobicContact CB-CD1 3.58Å; Q113-L119 HydrophobicContact CB-CD2 4.16Å; Q113-L119 HydrophobicContact CB-CG 3.62Å |
| 114 | L | 95.9 | Very high | 95.5 | Very high | 73 Ų | 73 | 65.5 Ų | 65.5 | 38% | 0.382 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -63.6 | -48.9 | 170 | -77.7 | 173 | 0 | 0 | 0 | 110.8 | L110 E111 A116 G117 L119 | L110-L114 HydrophobicContact CD1-CD1 3.96Å; L110-L114 HydrophobicContact CD1-CG 4.11Å; L110-L114 HydrophobicContact CD2-CD1 4.47Å; L110-L114 HydrophobicContact CG-CD1 3.89Å; L110-L114 HydrophobicContact CG-CG 4.41Å; L110-L114 WeakPolarHBondContact O-CB 3.33Å; L110-L114 WeakPolarHBondContact O-CG 3.47Å; L110-L114 PolarHBondContact O-N 2.67Å; E111-L114 PolarHBondContact O-N 3.42Å; L114-A116 VanDerWaalsContact C-N 3.28Å; L114-A116 PolarHBondContact O-N 2.92Å; L114-G117 PolarHBondContact O-N 3.25Å; L114-L119 HydrophobicContact CD2-CB 4.19Å; L114-L119 HydrophobicContact CD2-CD1 4.29Å; L114-L119 HydrophobicContact CG-CD1 4.1Å |
| 115 | N | 95.4 | Very high | 95.7 | Very high | 138 Ų | 138 | 62.8 Ų | 62.8 | 74% | 0.738 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -63.2 | -34.1 | 179.3 | -75 | -36.8 | 0 | 0 | 0 | 112.7 | E111 D112 G117 | E111-N115 VanDerWaalsContact O-CB 3.32Å; E111-N115 WeakPolarHBondContact O-CB 3.38Å; E111-N115 PolarHBondContact O-N 2.64Å; E111-N115 PolarHBondContact O-ND2 3.1Å; D112-N115 PolarHBondContact O-N 3.37Å; N115-G117 VanDerWaalsContact C-N 3.26Å; N115-G117 PolarHBondContact O-N 3.3Å |
| 116 | A | 96.4 | Very high | 95.9 | Very high | 63 Ų | 63 | 59.5 Ų | 59.5 | 52% | 0.521 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -12.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | D112 L114 N118 | D112-A116 VanDerWaalsContact O-CB 3.28Å; D112-A116 WeakPolarHBondContact O-CB 3.13Å; D112-A116 PolarHBondContact O-N 3.33Å; L114-A116 VanDerWaalsContact C-N 3.28Å; L114-A116 PolarHBondContact O-N 2.92Å; A116-N118 VanDerWaalsContact C-N 3.33Å |
| 117 | G | 96.1 | Very high | 96 | Very high | 61 Ų | 61 | 60.3 Ų | 60.3 | 63% | 0.629 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.2 | 24.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q113 L114 N115 | Q113-G117 PolarHBondContact O-N 3.32Å; L114-G117 PolarHBondContact O-N 3.25Å; N115-G117 VanDerWaalsContact C-N 3.26Å; N115-G117 PolarHBondContact O-N 3.3Å |
| 118 | N | 96.4 | Very high | 96.1 | Very high | 101 Ų | 101 | 57.8 Ų | 57.8 | 54% | 0.54 | 34% | 0.339 | S | S | . | . | trans | -88.6 | -12 | -178 | -69.3 | -25.1 | 0 | 0 | 0 | 113.3 | Q113 A116 | Q113-N118 HydrophobicContact CB-CB 4.5Å; Q113-N118 PolarHBondContact O-N 2.84Å; Q113-N118 PolarHBondContact OE1-ND2 2.66Å; A116-N118 VanDerWaalsContact C-N 3.33Å | ||
| 119 | L | 96.7 | Very high | 96.2 | Very high | 19 Ų | 19 | 55 Ų | 55 | 10% | 0.099 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -107.3 | 151.7 | -179.8 | -59.4 | 178.1 | 0 | 0 | 0 | 111.9 | Y12 W109 L110 Q113 L114 I358 | Y12-L119 HydrophobicContact CE1-CD2 4.14Å; Y12-L119 HydrophobicContact CE2-CD2 4.36Å; W109-L119 HydrophobicContact CH2-CD1 4.42Å; W109-L119 HydrophobicContact CH2-CD2 4.09Å; W109-L119 HydrophobicContact CZ2-CD2 4.48Å; W109-L119 HydrophobicContact CZ3-CD1 4.48Å; L110-L119 HydrophobicContact CD1-CD1 3.69Å; Q113-L119 HydrophobicContact CB-CD1 3.58Å; Q113-L119 HydrophobicContact CB-CD2 4.16Å; Q113-L119 HydrophobicContact CB-CG 3.62Å; L114-L119 HydrophobicContact CD2-CB 4.19Å; L114-L119 HydrophobicContact CD2-CD1 4.29Å; L114-L119 HydrophobicContact CG-CD1 4.1Å; L119-I358 HydrophobicContact CD1-CG2 4.02Å; L119-I358 HydrophobicContact CD2-CD1 4.41Å; L119-I358 HydrophobicContact CD2-CG2 4.38Å |
| 120 | P | 94.7 | Very high | 96.3 | Very high | 50 Ų | 50 | 57 Ų | 57 | 33% | 0.325 | 33% | 0.334 | S | S | . | . | trans | -53.6 | 148.6 | 170.7 | -24.5 | 33 | 0 | 0 | 0 | 112.8 | G122 S123 V360 | P120-G122 PolarHBondContact O-N 3.25Å; P120-S123 WeakPolarHBondContact CD-OG 3.25Å; P120-S123 WeakPolarHBondContact O-CB 3.44Å; P120-S123 PolarHBondContact O-N 3.03Å; P120-S123 VanDerWaalsContact O-N 3.15Å; P120-S123 PolarHBondContact O-OG 2.63Å; P120-V360 HydrophobicContact CB-CG1 4.36Å | ||
| 121 | E | 91.8 | Very high | 96.3 | Very high | 201 Ų | 201 | 61.6 Ų | 61.6 | 94% | 0.939 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | 137.1 | 170.7 | -172.3 | 176.2 | -175.7 | 0 | 0 | 110.4 | S123 | E121-S123 VanDerWaalsContact C-N 3.29Å; E121-S123 PolarHBondContact O-N 2.86Å |
| 122 | G | 93 | Very high | 96.4 | Very high | 58 Ų | 58 | 59.8 Ų | 59.8 | 60% | 0.598 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.3 | 13.6 | -176 | 0 | 0 | 0 | 0 | 0 | 114.6 | P120 | P120-G122 PolarHBondContact O-N 3.25Š|
| 123 | S | 96.7 | Very high | 96.5 | Very high | 9 Ų | 9 | 55.1 Ų | 55.1 | 6% | 0.063 | 32% | 0.321 | C | S | . | . | trans | -66.5 | 133.4 | 169.2 | -57.8 | 0 | 0 | 0 | 0 | 110.3 | P120 E121 | P120-S123 WeakPolarHBondContact CD-OG 3.25Å; P120-S123 WeakPolarHBondContact O-CB 3.44Å; P120-S123 PolarHBondContact O-N 3.03Å; P120-S123 VanDerWaalsContact O-N 3.15Å; P120-S123 PolarHBondContact O-OG 2.63Å; E121-S123 VanDerWaalsContact C-N 3.29Å; E121-S123 PolarHBondContact O-N 2.86Å | ||
| 124 | D | 96.4 | Very high | 96.6 | Very high | 75 Ų | 75 | 54.1 Ų | 54.1 | 40% | 0.401 | 32% | 0.317 | S | S | . | . | B | Isolated β-bridge | trans | -141.1 | -175.2 | 175.1 | -164.9 | 2.3 | 0 | 0 | 0 | 108.6 | I358 F359 | D124-I358 CarbonylContact O-C 3.59Å; D124-I358 WeakPolarHBondContact O-CA 3.13Å; D124-I358 WeakPolarHBondContact O-CB 3.44Å; D124-F359 HydrophobicContact CB-CD1 4.36Å; D124-F359 HydrophobicContact CB-CE1 3.69Å; D124-F359 HydrophobicContact CB-CE2 4.13Å; D124-F359 HydrophobicContact CB-CZ 3.55Å; D124-F359 PolarHBondContact N-O 3.05Å; D124-F359 PolarHBondContact O-N 3.14Å |
| 125 | Q | 96.6 | Very high | 96.7 | Very high | 8 Ų | 8 | 55.4 Ų | 55.4 | 4% | 0.037 | 33% | 0.325 | C | S | . | . | trans | -136.9 | 139.7 | -173.7 | -174 | 173.9 | 91.6 | 0 | 0 | 111.6 | Q106 L110 N127 H357 F359 | Q106-Q125 VanDerWaalsContact CG-CD 3.47Å; Q106-Q125 PolarHBondContact O-NE2 2.69Å; Q106-Q125 PolarHBondContact O-OE1 3.18Å; L110-Q125 HydrophobicContact CD2-CB 3.72Å; Q125-N127 HydrophobicContact CB-CB 4.39Å; Q125-N127 HydrophobicContact CG-CB 3.69Å; Q125-N127 PolarHBondContact O-N 3.34Å; Q125-N127 VanDerWaalsContact OE1-CB 3.26Å; Q125-N127 PolarHBondContact OE1-ND2 3.21Å; Q125-H357 VanDerWaalsContact CG-CE1 3.41Å; Q125-H357 WeakPolarHBondContact CG-CE1 3.19Å; Q125-H357 WeakPolarHBondContact CG-NE2 3.38Å; Q125-H357 PolarHBondContact NE2-O 2.71Å; Q125-F359 VanDerWaalsContact C-CE1 3.43Å | ||
| 126 | F | 97.6 | Very high | 96.8 | Very high | 11 Ų | 11 | 49.5 Ų | 49.5 | 5% | 0.048 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -79 | 79.4 | 170.6 | -179.6 | -144.8 | 0 | 0 | 0 | 108.8 | V20 E24 P335 G337 I338 H357 | V20-F126 HydrophobicContact CG1-CB 3.67Å; V20-F126 HydrophobicContact CG1-CD1 3.96Å; V20-F126 HydrophobicContact CG1-CD2 3.96Å; V20-F126 HydrophobicContact CG1-CG 3.59Å; V20-F126 HydrophobicContact CG2-CB 4.03Å; E24-F126 HydrophobicContact CG-CD2 4.36Å; E24-F126 HydrophobicContact CG-CE1 3.79Å; E24-F126 HydrophobicContact CG-CE2 3.56Å; E24-F126 HydrophobicContact CG-CZ 3.25Å; E24-F126 WeakPolarHBondContact OE1-CE2 3.37Å; F126-P335 HydrophobicContact CZ-CB 4.08Å; F126-G337 CarbonylContact O-C 3.44Å; F126-G337 WeakPolarHBondContact O-CA 3.5Å; F126-I338 HydrophobicContact CD1-CB 4.42Å; F126-I338 HydrophobicContact CD1-CG1 4.22Å; F126-I338 HydrophobicContact CD1-CG2 3.69Å; F126-I338 HydrophobicContact CE1-CG2 3.8Å; F126-I338 PolarHBondContact O-N 3.44Å; F126-I338 VanDerWaalsContact O-N 3.1Å; F126-H357 PolarHBondContact N-NE2 3.5Å; F126-H357 PolarHBondContact O-CE1 2.76Å; F126-H357 PolarHBondContact O-NE2 3.02Å |
| 127 | N | 97.5 | Very high | 96.9 | Very high | 18 Ų | 18 | 46.5 Ų | 46.5 | 10% | 0.096 | 27% | 0.267 | C | S | . | . | B | Isolated β-bridge | trans | -154.5 | 104.7 | -177.9 | -179.3 | 15.3 | 0 | 0 | 0 | 109.8 | A102 A103 Q125 L129 | A102-N127 PolarHBondContact O-ND2 3.47Å; A102-N127 VanDerWaalsContact O-ND2 3.13Å; A103-N127 PolarHBondContact O-ND2 2.93Å; Q125-N127 HydrophobicContact CB-CB 4.39Å; Q125-N127 HydrophobicContact CG-CB 3.69Å; Q125-N127 PolarHBondContact O-N 3.34Å; Q125-N127 VanDerWaalsContact OE1-CB 3.26Å; Q125-N127 PolarHBondContact OE1-ND2 3.21Å; N127-L129 WeakPolarHBondContact OD1-CB 3.37Å; N127-L129 PolarHBondContact OD1-N 2.8Å |
| 128 | S | 97.6 | Very high | 97.1 | Very high | 33 Ų | 33 | 45.4 Ų | 45.4 | 23% | 0.231 | 25% | 0.248 | C | C | . | . | trans | -125.5 | 23.6 | 172.3 | 57.9 | 0 | 0 | 0 | 0 | 110.1 | E131 K132 A336 | S128-E131 WeakPolarHBondContact CA-OE2 3.22Å; S128-K132 VanDerWaalsContact O-CB 3.27Å; S128-K132 WeakPolarHBondContact O-CB 3.36Å; S128-K132 VanDerWaalsContact O-CG 3.27Å; S128-K132 WeakPolarHBondContact O-CG 3.47Å; S128-K132 PolarHBondContact O-N 2.94Å; S128-K132 VanDerWaalsContact OG-CE 3.31Å; S128-K132 WeakPolarHBondContact OG-CE 3.47Å; S128-A336 CarbonylContact C-O 3.49Å; S128-A336 WeakPolarHBondContact CA-O 3.42Å; S128-A336 PolarHBondContact N-O 3.14Å; S128-A336 PolarHBondContact OG-O 3.09Å | ||
| 129 | L | 98.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65.6 | -46.2 | -170 | -77.3 | 164.3 | 0 | 0 | 0 | 111.4 | L99 A102 A103 N127 L133 W329 V331 A336 | L99-L129 HydrophobicContact CD1-CD1 4.43Å; L99-L129 HydrophobicContact CD1-CD2 4.21Å; A102-L129 HydrophobicContact CB-CD1 3.9Å; A103-L129 HydrophobicContact CB-CB 3.51Å; A103-L129 HydrophobicContact CB-CD1 3.91Å; A103-L129 HydrophobicContact CB-CG 4.34Å; N127-L129 WeakPolarHBondContact OD1-CB 3.37Å; N127-L129 PolarHBondContact OD1-N 2.8Å; L129-L133 VanDerWaalsContact O-CB 3.22Å; L129-L133 WeakPolarHBondContact O-CB 3.33Å; L129-L133 WeakPolarHBondContact O-CD1 3.31Å; L129-L133 WeakPolarHBondContact O-CG 3.17Å; L129-L133 PolarHBondContact O-N 2.96Å; L129-W329 HydrophobicContact CD1-CB 4.31Å; L129-W329 HydrophobicContact CD1-CG 4.11Å; L129-W329 HydrophobicContact CD2-CB 3.53Å; L129-W329 HydrophobicContact CD2-CG 4.05Å; L129-W329 HydrophobicContact CG-CB 4.43Å; L129-V331 HydrophobicContact CD2-CG2 4.12Å; L129-A336 HydrophobicContact CD2-CB 3.57Å; L129-A336 HydrophobicContact CG-CB 4.21Å; L129-A336 PolarHBondContact N-O 3.31Å |
| 130 | Q | 97.6 | Very high | 97.2 | Very high | 51 Ų | 51 | 43.3 Ų | 43.3 | 24% | 0.238 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.2 | -50.8 | -177.5 | -178.4 | 170.6 | -48.6 | 0 | 0 | 110.9 | K132 L133 I134 Y166 | Q130-K132 PolarHBondContact O-N 3.35Å; Q130-L133 PolarHBondContact O-N 3.26Å; Q130-I134 HydrophobicContact CG-CD1 3.77Å; Q130-I134 WeakPolarHBondContact O-CD1 3.09Å; Q130-I134 VanDerWaalsContact O-CG1 3.27Å; Q130-I134 WeakPolarHBondContact O-CG1 3.01Å; Q130-I134 PolarHBondContact O-N 3.2Å; Q130-Y166 WeakPolarHBondContact CA-OH 3.21Å |
| 131 | E | 97.5 | Very high | 97.4 | Very high | 98 Ų | 98 | 42.8 Ų | 42.8 | 46% | 0.458 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -59.3 | -48.9 | 180 | -62.5 | 76.7 | -169.8 | 0 | 0 | 110.7 | S128 L133 I134 D135 | S128-E131 WeakPolarHBondContact CA-OE2 3.22Å; E131-L133 VanDerWaalsContact C-N 3.35Å; E131-L133 PolarHBondContact O-N 2.89Å; E131-I134 PolarHBondContact O-N 3.03Å; E131-D135 PolarHBondContact O-N 3.26Å |
| 132 | K | 98.5 | Very high | 97.7 | Very high | 48 Ų | 48 | 39.4 Ų | 39.4 | 21% | 0.209 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -67 | -34.6 | -179.9 | -70.8 | -174.3 | 179.3 | -149.9 | 0 | 112.6 | S128 Q130 R136 V331 P335 A336 | S128-K132 VanDerWaalsContact O-CB 3.27Å; S128-K132 WeakPolarHBondContact O-CB 3.36Å; S128-K132 VanDerWaalsContact O-CG 3.27Å; S128-K132 WeakPolarHBondContact O-CG 3.47Å; S128-K132 PolarHBondContact O-N 2.94Å; S128-K132 VanDerWaalsContact OG-CE 3.31Å; S128-K132 WeakPolarHBondContact OG-CE 3.47Å; Q130-K132 PolarHBondContact O-N 3.35Å; K132-R136 WeakPolarHBondContact O-CB 3.47Å; K132-R136 PolarHBondContact O-N 3.16Å; K132-V331 HydrophobicContact CB-CB 3.91Å; K132-V331 HydrophobicContact CB-CG1 4.13Å; K132-V331 HydrophobicContact CB-CG2 3.91Å; K132-V331 WeakPolarHBondContact O-CG1 3.48Å; K132-P335 PolarHBondContact NZ-O 3.4Å; K132-A336 HydrophobicContact CD-CB 3.78Å |
| 133 | L | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.4 | -44.3 | 174.7 | -79.5 | 166.2 | 0 | 0 | 0 | 111.2 | L72 L99 L129 Q130 E131 R136 F137 Y166 L167 C170 V331 | L72-L133 HydrophobicContact CD1-CD2 3.82Å; L72-L133 HydrophobicContact CG-CD2 4.02Å; L99-L133 HydrophobicContact CD1-CD1 4.24Å; L99-L133 HydrophobicContact CD2-CD1 4.02Å; L99-L133 HydrophobicContact CG-CD1 4.49Å; L129-L133 VanDerWaalsContact O-CB 3.22Å; L129-L133 WeakPolarHBondContact O-CB 3.33Å; L129-L133 WeakPolarHBondContact O-CD1 3.31Å; L129-L133 WeakPolarHBondContact O-CG 3.17Å; L129-L133 PolarHBondContact O-N 2.96Å; Q130-L133 PolarHBondContact O-N 3.26Å; E131-L133 VanDerWaalsContact C-N 3.35Å; E131-L133 PolarHBondContact O-N 2.89Å; L133-R136 PolarHBondContact O-N 3.21Å; L133-F137 WeakPolarHBondContact O-CD2 3.3Å; L133-F137 PolarHBondContact O-N 3.49Å; L133-Y166 HydrophobicContact CD1-CE1 3.73Å; L133-L167 HydrophobicContact CD1-CD2 4.38Å; L133-L167 HydrophobicContact CD2-CD2 4.29Å; L133-C170 HydrophobicContact CB-CB 4.39Å; L133-V331 HydrophobicContact CD2-CG1 4.21Å; L133-V331 HydrophobicContact CD2-CG2 4.06Å; L133-V331 HydrophobicContact CG-CG1 4.49Å; L133-V331 HydrophobicContact CG-CG2 3.87Å |
| 134 | I | 98.6 | Very high | 97.9 | Very high | 22 Ų | 22 | 46 Ų | 46 | 11% | 0.113 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.2 | -50.2 | 176.2 | -66.1 | 159.9 | 0 | 0 | 0 | 109.8 | Q130 E131 R136 F137 V138 C170 E173 A174 | Q130-I134 HydrophobicContact CG-CD1 3.77Å; Q130-I134 WeakPolarHBondContact O-CD1 3.09Å; Q130-I134 VanDerWaalsContact O-CG1 3.27Å; Q130-I134 WeakPolarHBondContact O-CG1 3.01Å; Q130-I134 PolarHBondContact O-N 3.2Å; E131-I134 PolarHBondContact O-N 3.03Å; I134-R136 VanDerWaalsContact C-N 3.26Å; I134-R136 PolarHBondContact O-N 3.36Å; I134-F137 PolarHBondContact O-N 3.31Å; I134-V138 WeakPolarHBondContact O-CG2 3.48Å; I134-V138 PolarHBondContact O-N 3.09Å; I134-C170 HydrophobicContact CG1-CB 4.1Å; I134-E173 HydrophobicContact CD1-CB 4.34Å; I134-E173 VanDerWaalsContact CD1-CD 3.44Å; I134-E173 HydrophobicContact CD1-CG 4.07Å; I134-E173 VanDerWaalsContact CD1-OE2 3.22Å; I134-E173 WeakPolarHBondContact CD1-OE2 3.29Å; I134-E173 HydrophobicContact CG1-CB 4.3Å; I134-E173 HydrophobicContact CG1-CG 4.44Å; I134-E173 HydrophobicContact CG2-CB 4.48Å; I134-E173 HydrophobicContact CG2-CG 4.26Å; I134-A174 HydrophobicContact CG2-CB 4.3Å |
| 135 | D | 98.6 | Very high | 97.8 | Very high | 100 Ų | 100 | 44 Ų | 44 | 54% | 0.535 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -57 | -41.8 | 176.2 | -76.8 | -16.2 | 0 | 0 | 0 | 111.3 | E131 F137 V138 E139 | E131-D135 PolarHBondContact O-N 3.26Å; D135-F137 PolarHBondContact O-N 3.18Å; D135-V138 WeakPolarHBondContact O-CB 3.38Å; D135-V138 PolarHBondContact O-N 3.02Å; D135-E139 PolarHBondContact O-N 2.92Å |
| 136 | R | 98.6 | Very high | 97.8 | Very high | 14 Ų | 14 | 43.6 Ų | 43.6 | 5% | 0.053 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.4 | -40.1 | 176.7 | -178.2 | 53.8 | 178.4 | 171.5 | -3.1 | 112 | P70 S71 L72 K132 L133 I134 V138 E139 L140 V331 N332 | P70-R136 VanDerWaalsContact CB-NH2 3.31Å; S71-R136 PolarHBondContact O-NE 3Å; S71-R136 PolarHBondContact O-NH2 2.77Å; L72-R136 HydrophobicContact CD1-CG 3.95Å; K132-R136 WeakPolarHBondContact O-CB 3.47Å; K132-R136 PolarHBondContact O-N 3.16Å; L133-R136 PolarHBondContact O-N 3.21Å; I134-R136 VanDerWaalsContact C-N 3.26Å; I134-R136 PolarHBondContact O-N 3.36Å; R136-V138 VanDerWaalsContact C-N 3.35Å; R136-E139 IonicContact CZ-OE2 3.7Å; R136-E139 IonicContact NH1-OE2 3.65Å; R136-E139 PolarHBondContact NH1-OE2 2.96Å; R136-E139 WeakPolarHBondContact O-CB 3.26Å; R136-E139 PolarHBondContact O-N 3.47Å; R136-L140 HydrophobicContact CG-CD1 4.49Å; R136-L140 VanDerWaalsContact O-CG 3.29Å; R136-L140 WeakPolarHBondContact O-CG 3.19Å; R136-L140 PolarHBondContact O-N 3.27Å; R136-V331 HydrophobicContact CB-CG1 3.67Å; R136-V331 HydrophobicContact CG-CG1 4.06Å; R136-N332 PolarHBondContact NH2-OD1 3.25Å |
| 137 | F | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.9 | -38.4 | 173.1 | -77.9 | -60.8 | 0 | 0 | 0 | 111.6 | L72 L133 I134 D135 E139 L140 R141 L149 L167 C170 A171 A174 I176 L231 | L72-F137 HydrophobicContact CD1-CD1 4.46Å; L72-F137 HydrophobicContact CD1-CE1 3.99Å; L72-F137 HydrophobicContact CD1-CE2 4.08Å; L72-F137 HydrophobicContact CD1-CZ 3.79Å; L72-F137 HydrophobicContact CD2-CE1 4.28Å; L72-F137 HydrophobicContact CD2-CZ 3.76Å; L72-F137 HydrophobicContact CG-CZ 4.45Å; L133-F137 WeakPolarHBondContact O-CD2 3.3Å; L133-F137 PolarHBondContact O-N 3.49Å; I134-F137 PolarHBondContact O-N 3.31Å; D135-F137 PolarHBondContact O-N 3.18Å; F137-E139 VanDerWaalsContact C-N 3.33Å; F137-E139 PolarHBondContact O-N 3.26Å; F137-L140 HydrophobicContact CD1-CD1 3.86Å; F137-L140 HydrophobicContact CE1-CD1 4.23Å; F137-L140 WeakPolarHBondContact O-CB 3.46Å; F137-L140 PolarHBondContact O-N 3.43Å; F137-R141 WeakPolarHBondContact O-CB 3.47Å; F137-R141 PolarHBondContact O-N 2.77Å; F137-L149 HydrophobicContact CE1-CD2 3.79Å; F137-L167 HydrophobicContact CE2-CD2 4.42Å; F137-L167 HydrophobicContact CZ-CD2 4.46Å; F137-C170 HydrophobicContact CD2-CB 3.94Å; F137-C170 HydrophobicContact CE2-CB 3.84Å; F137-A171 HydrophobicContact CD1-CB 4.01Å; F137-A171 HydrophobicContact CD2-CB 4.07Å; F137-A171 HydrophobicContact CE1-CB 4.01Å; F137-A171 HydrophobicContact CE2-CB 4.07Å; F137-A171 HydrophobicContact CG-CB 4.05Å; F137-A171 HydrophobicContact CZ-CB 4.04Å; F137-A174 HydrophobicContact CB-CB 3.38Å; F137-I176 HydrophobicContact CB-CD1 3.93Å; F137-I176 HydrophobicContact CD1-CD1 3.9Å; F137-I176 HydrophobicContact CG-CD1 4.34Å; F137-I176 WeakPolarHBondContact O-CD1 3.4Å; F137-L231 HydrophobicContact CE1-CD2 4.38Å |
| 138 | V | 98.6 | Very high | 97.8 | Very high | 38 Ų | 38 | 50.1 Ų | 50.1 | 23% | 0.23 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58 | -45.9 | 172.5 | 173.7 | 0 | 0 | 0 | 0 | 110.7 | I134 D135 R136 L140 R141 E142 A174 | I134-V138 WeakPolarHBondContact O-CG2 3.48Å; I134-V138 PolarHBondContact O-N 3.09Å; D135-V138 WeakPolarHBondContact O-CB 3.38Å; D135-V138 PolarHBondContact O-N 3.02Å; R136-V138 VanDerWaalsContact C-N 3.35Å; V138-L140 PolarHBondContact O-N 2.96Å; V138-R141 WeakPolarHBondContact O-CB 3.39Å; V138-R141 PolarHBondContact O-N 3.44Å; V138-E142 HydrophobicContact CG1-CG 4.4Å; V138-E142 WeakPolarHBondContact O-CB 3.38Å; V138-E142 WeakPolarHBondContact O-CG 3.44Å; V138-E142 PolarHBondContact O-N 3.31Å; V138-A174 HydrophobicContact CG2-CB 3.74Å |
| 139 | E | 98.3 | Very high | 97.8 | Very high | 76 Ų | 76 | 48.6 Ų | 48.6 | 36% | 0.355 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -60.9 | -44.4 | 175 | -69 | -179.3 | 171.8 | 0 | 0 | 112.7 | D135 R136 F137 R141 E142 Q143 | D135-E139 PolarHBondContact O-N 2.92Å; R136-E139 IonicContact CZ-OE2 3.7Å; R136-E139 IonicContact NH1-OE2 3.65Å; R136-E139 PolarHBondContact NH1-OE2 2.96Å; R136-E139 WeakPolarHBondContact O-CB 3.26Å; R136-E139 PolarHBondContact O-N 3.47Å; F137-E139 VanDerWaalsContact C-N 3.33Å; F137-E139 PolarHBondContact O-N 3.26Å; E139-R141 VanDerWaalsContact C-N 3.29Å; E139-R141 PolarHBondContact O-N 3.34Å; E139-E142 PolarHBondContact O-N 2.91Å; E139-Q143 WeakPolarHBondContact O-CB 3.14Å; E139-Q143 PolarHBondContact O-N 3.29Å |
| 140 | L | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.4 | -41 | 176.8 | -72.8 | 173 | 0 | 0 | 0 | 111.6 | P70 L72 R136 F137 V138 Y144 G145 F146 L231 | P70-L140 HydrophobicContact CB-CD2 3.52Å; P70-L140 HydrophobicContact CG-CD2 3.62Å; L72-L140 HydrophobicContact CD1-CD1 4.37Å; R136-L140 HydrophobicContact CG-CD1 4.49Å; R136-L140 VanDerWaalsContact O-CG 3.29Å; R136-L140 WeakPolarHBondContact O-CG 3.19Å; R136-L140 PolarHBondContact O-N 3.27Å; F137-L140 HydrophobicContact CD1-CD1 3.86Å; F137-L140 HydrophobicContact CE1-CD1 4.23Å; F137-L140 WeakPolarHBondContact O-CB 3.46Å; F137-L140 PolarHBondContact O-N 3.43Å; V138-L140 PolarHBondContact O-N 2.96Å; L140-Y144 HydrophobicContact CD2-CD2 4.16Å; L140-Y144 CarbonylContact O-C 3.45Å; L140-Y144 VanDerWaalsContact O-C 3.26Å; L140-Y144 WeakPolarHBondContact O-CA 3.36Å; L140-Y144 WeakPolarHBondContact O-CB 3.38Å; L140-Y144 PolarHBondContact O-N 3.41Å; L140-Y144 VanDerWaalsContact O-N 3.17Å; L140-G145 PolarHBondContact O-N 2.99Å; L140-F146 HydrophobicContact CB-CB 4.17Å; L140-F146 HydrophobicContact CB-CD2 4.14Å; L140-F146 HydrophobicContact CB-CG 4.09Å; L140-F146 HydrophobicContact CD2-CD2 4.34Å; L140-F146 HydrophobicContact CD2-CE2 4.15Å; L140-F146 HydrophobicContact CD2-CZ 4.43Å; L140-F146 WeakPolarHBondContact O-CD2 3.28Å; L140-F146 PolarHBondContact O-N 3.43Å; L140-F146 VanDerWaalsContact O-N 3.11Å; L140-L231 HydrophobicContact CD1-CD1 4.5Å; L140-L231 HydrophobicContact CD1-CD2 3.8Å |
| 141 | R | 98.1 | Very high | 97.9 | Very high | 38 Ų | 38 | 46.2 Ų | 46.2 | 14% | 0.143 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.4 | -50.8 | 176.2 | -177 | -169.9 | 68.8 | 179.3 | 8.1 | 111.7 | F137 V138 E139 G145 F146 A174 E175 I176 | F137-R141 WeakPolarHBondContact O-CB 3.47Å; F137-R141 PolarHBondContact O-N 2.77Å; V138-R141 WeakPolarHBondContact O-CB 3.39Å; V138-R141 PolarHBondContact O-N 3.44Å; E139-R141 VanDerWaalsContact C-N 3.29Å; E139-R141 PolarHBondContact O-N 3.34Å; R141-G145 VanDerWaalsContact O-CA 3.23Å; R141-G145 WeakPolarHBondContact O-CA 3.19Å; R141-G145 PolarHBondContact O-N 3.03Å; R141-G145 VanDerWaalsContact O-N 3.11Å; R141-F146 WeakPolarHBondContact CA-O 3.41Å; R141-A174 PolarHBondContact NH1-O 3.03Å; R141-E175 IonicContact CZ-OE2 2.94Å; R141-E175 IonicContact NH1-OE2 2.65Å; R141-E175 PolarHBondContact NH1-OE2 3.41Å; R141-E175 IonicContact NH2-OE2 3.24Å; R141-I176 HydrophobicContact CB-CD1 4.09Å; R141-I176 HydrophobicContact CB-CG1 3.95Å; R141-I176 HydrophobicContact CG-CG1 4.32Å |
| 142 | E | 97.9 | Very high | 97.9 | Very high | 130 Ų | 130 | 41.5 Ų | 41.5 | 61% | 0.607 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -79.3 | -40.3 | -169.9 | -69 | -177.7 | 177.9 | 0 | 0 | 113.6 | V138 E139 | V138-E142 HydrophobicContact CG1-CG 4.4Å; V138-E142 WeakPolarHBondContact O-CB 3.38Å; V138-E142 WeakPolarHBondContact O-CG 3.44Å; V138-E142 PolarHBondContact O-N 3.31Å; E139-E142 PolarHBondContact O-N 2.91Å |
| 143 | Q | 97 | Very high | 97.8 | Very high | 132 Ų | 132 | 39.2 Ų | 39.2 | 62% | 0.617 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -97.3 | -31.8 | -173.8 | -56 | -177.2 | 27.2 | 0 | 0 | 112.3 | E139 | E139-Q143 WeakPolarHBondContact O-CB 3.14Å; E139-Q143 PolarHBondContact O-N 3.29Å |
| 144 | Y | 96.2 | Very high | 97.7 | Very high | 75 Ų | 75 | 41 Ų | 41 | 29% | 0.294 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -111.7 | -3.6 | -177.1 | -57.8 | -93.6 | 0 | 0 | 0 | 112.6 | P70 L140 F146 R229 | P70-Y144 HydrophobicContact CB-CD1 4.11Å; P70-Y144 HydrophobicContact CB-CD2 4.22Å; P70-Y144 HydrophobicContact CB-CE1 3.84Å; P70-Y144 HydrophobicContact CB-CE2 3.98Å; P70-Y144 HydrophobicContact CB-CG 4.28Å; P70-Y144 HydrophobicContact CG-CD1 3.65Å; P70-Y144 HydrophobicContact CG-CD2 4.32Å; P70-Y144 HydrophobicContact CG-CE1 3.83Å; P70-Y144 HydrophobicContact CG-CE2 4.48Å; P70-Y144 HydrophobicContact CG-CG 3.9Å; L140-Y144 HydrophobicContact CD2-CD2 4.16Å; L140-Y144 CarbonylContact O-C 3.45Å; L140-Y144 VanDerWaalsContact O-C 3.26Å; L140-Y144 WeakPolarHBondContact O-CA 3.36Å; L140-Y144 WeakPolarHBondContact O-CB 3.38Å; L140-Y144 PolarHBondContact O-N 3.41Å; L140-Y144 VanDerWaalsContact O-N 3.17Å; Y144-F146 PolarHBondContact O-N 3.12Å; Y144-R229 PolarHBondContact O-NH1 3.43Å; Y144-R229 PolarHBondContact O-NH2 2.78Å |
| 145 | G | 95.8 | Very high | 97.4 | Very high | 31 Ų | 31 | 44.1 Ų | 44.1 | 32% | 0.32 | 22% | 0.216 | S | C | . | . | trans | 69.1 | 32.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | L140 R141 Q147 R229 | L140-G145 PolarHBondContact O-N 2.99Å; R141-G145 VanDerWaalsContact O-CA 3.23Å; R141-G145 WeakPolarHBondContact O-CA 3.19Å; R141-G145 PolarHBondContact O-N 3.03Å; R141-G145 VanDerWaalsContact O-N 3.11Å; G145-Q147 PolarHBondContact O-N 3.47Å; G145-Q147 VanDerWaalsContact O-N 3.15Å; G145-R229 PolarHBondContact O-NH2 2.92Å | ||
| 146 | F | 97 | Very high | 97 | Very high | 1 Ų | 1 | 46.2 Ų | 46.2 | 0% | 0.004 | 23% | 0.228 | C | C | . | . | trans | -74.5 | 93.6 | 169.8 | -77.6 | -117.8 | 0 | 0 | 0 | 109 | P70 L140 R141 Y144 L149 I176 N204 R229 L231 | P70-F146 HydrophobicContact CG-CE2 4.21Å; P70-F146 HydrophobicContact CG-CZ 4.41Å; L140-F146 HydrophobicContact CB-CB 4.17Å; L140-F146 HydrophobicContact CB-CD2 4.14Å; L140-F146 HydrophobicContact CB-CG 4.09Å; L140-F146 HydrophobicContact CD2-CD2 4.34Å; L140-F146 HydrophobicContact CD2-CE2 4.15Å; L140-F146 HydrophobicContact CD2-CZ 4.43Å; L140-F146 WeakPolarHBondContact O-CD2 3.28Å; L140-F146 PolarHBondContact O-N 3.43Å; L140-F146 VanDerWaalsContact O-N 3.11Å; R141-F146 WeakPolarHBondContact CA-O 3.41Å; Y144-F146 PolarHBondContact O-N 3.12Å; F146-L149 HydrophobicContact CD1-CD1 4.04Å; F146-L149 HydrophobicContact CE1-CD1 4.17Å; F146-I176 HydrophobicContact CB-CD1 4.07Å; F146-I176 WeakPolarHBondContact O-CG1 3.41Å; F146-N204 HydrophobicContact CD1-CB 3.72Å; F146-N204 HydrophobicContact CE1-CB 3.79Å; F146-N204 HydrophobicContact CG-CB 4.41Å; F146-R229 HydrophobicContact CE2-CB 4.46Å; F146-R229 HydrophobicContact CZ-CB 4.06Å; F146-L231 HydrophobicContact CE1-CD2 4.37Å | ||
| 147 | Q | 95.4 | Very high | 96.6 | Very high | 118 Ų | 118 | 47.7 Ų | 47.7 | 55% | 0.551 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -100.2 | -42.1 | -179.6 | -65 | -67.7 | -33.2 | 0 | 0 | 112.1 | G145 A177 | G145-Q147 PolarHBondContact O-N 3.47Å; G145-Q147 VanDerWaalsContact O-N 3.15Å; Q147-A177 WeakPolarHBondContact O-CB 3.44Å; Q147-A177 PolarHBondContact O-N 3.38Å |
| 148 | L | 97.8 | Very high | 96.1 | Very high | 48 Ų | 48 | 53 Ų | 53 | 25% | 0.251 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 124.5 | 168.8 | 176.5 | 63 | 0 | 0 | 0 | 107.4 | A177 E179 N204 | L148-A177 CarbonylContact C-O 3.58Å; L148-A177 WeakPolarHBondContact CA-O 3.26Å; L148-A177 HydrophobicContact CD1-CB 4.01Å; L148-E179 HydrophobicContact CD1-CG 3.93Å; L148-N204 WeakPolarHBondContact O-CB 3.42Å; L148-N204 PolarHBondContact O-ND2 2.98Å |
| 149 | L | 98.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 117.4 | 175.6 | 178.7 | 60.1 | 0 | 0 | 0 | 108.8 | F137 F146 L151 I176 A177 T178 E179 N204 F206 | F137-L149 HydrophobicContact CE1-CD2 3.79Å; F146-L149 HydrophobicContact CD1-CD1 4.04Å; F146-L149 HydrophobicContact CE1-CD1 4.17Å; L149-L151 HydrophobicContact CB-CD1 4.39Å; L149-L151 HydrophobicContact CD2-CD1 4.11Å; L149-L151 HydrophobicContact CD2-CG 4.24Å; L149-L151 HydrophobicContact CG-CD1 3.86Å; L149-L151 HydrophobicContact CG-CG 4.14Å; L149-L151 WeakPolarHBondContact O-CD1 3.37Å; L149-I176 HydrophobicContact CB-CG2 3.79Å; L149-A177 PolarHBondContact N-O 2.7Å; L149-T178 VanDerWaalsContact O-CA 3.27Å; L149-T178 WeakPolarHBondContact O-CA 3.47Å; L149-E179 PolarHBondContact O-N 2.99Å; L149-N204 HydrophobicContact CD1-CB 4.03Å; L149-F206 HydrophobicContact CD1-CB 4.13Å; L149-F206 HydrophobicContact CD2-CB 4.36Å; L149-F206 HydrophobicContact CG-CB 4.45Å |
| 150 | H | 98.6 | Very high | 95.4 | Very high | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 135.9 | 164.2 | -66.8 | 83.6 | 0 | 0 | 0 | 108.1 | E179 L181 D196 I202 N204 L205 F206 | H150-E179 CarbonylContact C-O 3.56Å; H150-E179 WeakPolarHBondContact CA-O 3.38Å; H150-L181 HydrophobicContact CB-CD2 4.13Å; H150-D196 IonicContact CD2-OD2 3.96Å; H150-D196 IonicContact CE1-OD2 3.97Å; H150-D196 IonicContact NE2-OD2 2.78Å; H150-D196 PolarHBondContact NE2-OD2 3.03Å; H150-I202 HydrophobicContact CB-CG2 4.11Å; H150-N204 PolarHBondContact N-O 3.11Å; H150-L205 HydrophobicContact CB-CD1 3.72Å; H150-L205 CarbonylContact O-C 3.53Å; H150-L205 WeakPolarHBondContact O-CA 3.24Å; H150-L205 WeakPolarHBondContact O-CD1 3.14Å; H150-F206 PolarHBondContact O-N 3.35Å |
| 151 | L | 98.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 138.2 | 172.4 | -60.5 | 86.8 | 0 | 0 | 0 | 109.4 | L149 I164 L167 Q168 T178 E179 F180 L181 F206 | L149-L151 HydrophobicContact CB-CD1 4.39Å; L149-L151 HydrophobicContact CD2-CD1 4.11Å; L149-L151 HydrophobicContact CD2-CG 4.24Å; L149-L151 HydrophobicContact CG-CD1 3.86Å; L149-L151 HydrophobicContact CG-CG 4.14Å; L149-L151 WeakPolarHBondContact O-CD1 3.37Å; L151-I164 HydrophobicContact CB-CD1 4.34Å; L151-I164 HydrophobicContact CB-CG2 3.74Å; L151-I164 HydrophobicContact CD2-CG2 4.32Å; L151-L167 HydrophobicContact CD2-CB 3.89Å; L151-Q168 HydrophobicContact CB-CG 4.48Å; L151-Q168 HydrophobicContact CD1-CG 3.71Å; L151-Q168 HydrophobicContact CD2-CG 3.85Å; L151-Q168 HydrophobicContact CG-CG 4.21Å; L151-T178 HydrophobicContact CD1-CG2 3.78Å; L151-E179 PolarHBondContact N-O 3.37Å; L151-F180 WeakPolarHBondContact O-CA 3.43Å; L151-F180 VanDerWaalsContact O-CD2 3.24Å; L151-F180 WeakPolarHBondContact O-CD2 3.09Å; L151-L181 PolarHBondContact O-N 3.22Å; L151-F206 CarbonylContact C-O 3.55Å; L151-F206 WeakPolarHBondContact CA-O 3.22Å; L151-F206 HydrophobicContact CB-CB 4.44Å; L151-F206 HydrophobicContact CB-CD1 4.44Å; L151-F206 HydrophobicContact CD2-CB 4.24Å; L151-F206 HydrophobicContact CD2-CD1 4.08Å; L151-F206 HydrophobicContact CD2-CG 4.38Å; L151-F206 HydrophobicContact CG-CB 3.97Å; L151-F206 HydrophobicContact CG-CD1 4.41Å |
| 152 | T | 98.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 150.6 | -175.8 | -167.3 | 0 | 0 | 0 | 0 | 113.2 | I164 L181 I183 I186 L205 F206 K207 L208 | T152-I164 WeakPolarHBondContact O-CD1 3.49Å; T152-L181 VanDerWaalsContact CA-O 3.24Å; T152-L181 WeakPolarHBondContact CA-O 3.43Å; T152-L181 VanDerWaalsContact CB-O 3.24Å; T152-L181 WeakPolarHBondContact CB-O 3Å; T152-L181 PolarHBondContact OG1-O 3Å; T152-I183 HydrophobicContact CG2-CD1 3.72Å; T152-I183 VanDerWaalsContact OG1-CA 3.22Å; T152-I183 WeakPolarHBondContact OG1-CA 3.19Å; T152-I183 PolarHBondContact OG1-N 2.93Å; T152-I186 HydrophobicContact CG2-CD1 4.39Å; T152-L205 HydrophobicContact CG2-CD1 3.78Å; T152-L205 HydrophobicContact CG2-CD2 4.49Å; T152-L205 HydrophobicContact CG2-CG 4.3Å; T152-F206 WeakPolarHBondContact CG2-O 3.17Å; T152-F206 PolarHBondContact N-O 2.91Å; T152-K207 HydrophobicContact CG2-CB 3.62Å; T152-L208 PolarHBondContact O-N 3.09Å |
| 153 | C | 97.5 | Very high | 95 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 175.2 | 171.9 | 64.4 | 0 | 0 | 0 | 0 | 110.8 | D160 I164 I183 L208 | C153-D160 HydrophobicContact CB-CB 3.78Å; C153-I164 HydrophobicContact CB-CD1 4.33Å; C153-I164 HydrophobicContact CB-CG1 3.75Å; C153-I183 PolarHBondContact O-N 3.13Å; C153-L208 HydrophobicContact CB-CB 4.05Å |
| 154 | C | 94.7 | Very high | 95 | Very high | 37 Ų | 37 | 40.2 Ų | 40.2 | 25% | 0.25 | 22% | 0.215 | C | C | . | . | trans | -56.1 | 152 | 166.7 | -76.3 | 0 | 0 | 0 | 0 | 111.6 | T157 Y182 Y209 | C154-T157 HydrophobicContact CB-CG2 4.15Å; C154-T157 PolarHBondContact O-OG1 2.89Å; C154-Y182 WeakPolarHBondContact O-CD1 3.25Å; C154-Y209 WeakPolarHBondContact SG-CD2 3.03Å | ||
| 155 | R | 94.1 | Very high | 95.1 | Very high | 87 Ų | 87 | 40 Ų | 40 | 33% | 0.328 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | 154.2 | 167 | -158.4 | 176.6 | -62.2 | -86.2 | -1.1 | 109.9 | T157 Y182 D184 D185 | R155-T157 PolarHBondContact O-N 2.88Å; R155-Y182 HydrophobicContact CB-CD1 3.98Å; R155-Y182 HydrophobicContact CB-CE1 4.36Å; R155-Y182 HydrophobicContact CB-CG 4.31Å; R155-Y182 HydrophobicContact CG-CD1 4.09Å; R155-Y182 HydrophobicContact CG-CD2 4.49Å; R155-Y182 HydrophobicContact CG-CE1 4.13Å; R155-Y182 HydrophobicContact CG-CG 4.25Å; R155-D184 IonicContact CZ-OD1 2.89Å; R155-D184 IonicContact CZ-OD2 3.48Å; R155-D184 IonicContact NE-OD1 3.15Å; R155-D184 PolarHBondContact NE-OD1 3.45Å; R155-D184 IonicContact NE-OD2 2.66Å; R155-D184 PolarHBondContact NE-OD2 3.06Å; R155-D184 VanDerWaalsContact NH2-CG 3.28Å; R155-D184 IonicContact NH2-OD1 3.85Å; R155-D184 PolarHBondContact NH2-OD1 3.04Å; R155-D184 IonicContact NH2-OD2 2.88Å; R155-D184 PolarHBondContact NH2-OD2 2.91Å; R155-D185 IonicContact CZ-OD1 3.82Å; R155-D185 IonicContact CZ-OD2 3.21Å; R155-D185 IonicContact NH1-OD2 3.53Å; R155-D185 IonicContact NH2-OD1 3.96Å; R155-D185 PolarHBondContact NH2-OD1 2.96Å; R155-D185 IonicContact NH2-OD2 3.64Å; R155-D185 PolarHBondContact NH2-OD2 2.82Å; R155-D185 VanDerWaalsContact NH2-OD2 3.15Å |
| 156 | D | 89.6 | Confident | 95.1 | Very high | 144 Ų | 144 | 38.9 Ų | 38.9 | 77% | 0.77 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.3 | 19.4 | 172.3 | -53.5 | -43.2 | 0 | 0 | 0 | 116 | ||
| 157 | T | 88.8 | Confident | 95.2 | Very high | 46 Ų | 46 | 38.9 Ų | 38.9 | 28% | 0.282 | 20% | 0.203 | S | C | . | . | trans | -110.8 | 103.9 | 173.1 | 50.6 | 0 | 0 | 0 | 0 | 110.8 | C154 R155 E159 D160 R161 | C154-T157 HydrophobicContact CB-CG2 4.15Å; C154-T157 PolarHBondContact O-OG1 2.89Å; R155-T157 PolarHBondContact O-N 2.88Å; T157-E159 VanDerWaalsContact C-N 3.35Å; T157-E159 PolarHBondContact O-N 2.78Å; T157-D160 WeakPolarHBondContact CB-OD2 3.29Å; T157-D160 PolarHBondContact O-N 3.26Å; T157-D160 WeakPolarHBondContact OG1-CB 3.49Å; T157-D160 VanDerWaalsContact OG1-CG 3.22Å; T157-D160 PolarHBondContact OG1-OD2 2.96Å; T157-R161 PolarHBondContact O-N 3.48Å; T157-R161 VanDerWaalsContact O-N 3.08Å | ||
| 158 | V | 89.5 | Confident | 95.3 | Very high | 111 Ų | 111 | 34 Ų | 34 | 67% | 0.673 | 18% | 0.18 | S | C | * | . | H | α-helix | trans | -65 | -39.6 | -178 | 177.4 | 0 | 0 | 0 | 0 | 111.4 | R161 G162 | V158-R161 PolarHBondContact O-N 2.85Å; V158-G162 PolarHBondContact O-N 2.88Å |
| 159 | E | 89 | Confident | 95.3 | Very high | 23 Ų | 23 | 35.7 Ų | 35.7 | 11% | 0.107 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.5 | -49.2 | 177 | -175.7 | 178.8 | -178.3 | 0 | 0 | 111.9 | M1 Y6 T97 T157 R161 G162 T163 | M1-E159 HydrophobicContact CE-CB 3.75Å; M1-E159 HydrophobicContact CE-CG 3.96Å; M1-E159 HydrophobicContact SD-CB 4.39Å; Y6-E159 PolarHBondContact OH-OE1 2.89Å; T97-E159 VanDerWaalsContact CB-OE1 3.25Å; T97-E159 WeakPolarHBondContact CB-OE1 3.43Å; T97-E159 PolarHBondContact OG1-OE1 3.32Å; T157-E159 VanDerWaalsContact C-N 3.35Å; T157-E159 PolarHBondContact O-N 2.78Å; E159-R161 VanDerWaalsContact C-N 3.33Å; E159-R161 PolarHBondContact O-N 3Å; E159-G162 PolarHBondContact O-N 2.75Å; E159-G162 VanDerWaalsContact O-N 3.15Å; E159-T163 PolarHBondContact O-N 2.89Å; E159-T163 PolarHBondContact O-OG1 3.24Å |
| 160 | D | 93.9 | Very high | 95.3 | Very high | 23 Ų | 23 | 35.8 Ų | 35.8 | 12% | 0.123 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60.7 | -44.7 | 178.3 | -66.6 | -16.1 | 0 | 0 | 0 | 111.1 | C153 T157 G162 T163 I164 L208 | C153-D160 HydrophobicContact CB-CB 3.78Å; T157-D160 WeakPolarHBondContact CB-OD2 3.29Å; T157-D160 PolarHBondContact O-N 3.26Å; T157-D160 WeakPolarHBondContact OG1-CB 3.49Å; T157-D160 VanDerWaalsContact OG1-CG 3.22Å; T157-D160 PolarHBondContact OG1-OD2 2.96Å; D160-G162 VanDerWaalsContact C-N 3.26Å; D160-G162 PolarHBondContact O-N 3.37Å; D160-T163 PolarHBondContact O-N 2.91Å; D160-I164 VanDerWaalsContact O-CG1 3.31Å; D160-I164 WeakPolarHBondContact O-CG1 3.22Å; D160-I164 PolarHBondContact O-N 3.13Å; D160-L208 HydrophobicContact CB-CD2 3.65Å; D160-L208 HydrophobicContact CB-CG 4.49Å |
| 161 | R | 95 | Very high | 95.3 | Very high | 71 Ų | 71 | 35.8 Ų | 35.8 | 27% | 0.268 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -62 | -37.6 | 178.1 | -178.8 | 60.7 | -171.4 | 141.6 | 11.7 | 111.4 | T157 V158 E159 I164 Q165 | T157-R161 PolarHBondContact O-N 3.48Å; T157-R161 VanDerWaalsContact O-N 3.08Å; V158-R161 PolarHBondContact O-N 2.85Å; E159-R161 VanDerWaalsContact C-N 3.33Å; E159-R161 PolarHBondContact O-N 3Å; R161-I164 PolarHBondContact O-N 3.09Å; R161-Q165 WeakPolarHBondContact O-CB 3.39Å; R161-Q165 PolarHBondContact O-N 3.32Å |
| 162 | G | 94.1 | Very high | 95.3 | Very high | 26 Ų | 26 | 39.6 Ų | 39.6 | 27% | 0.268 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -61.6 | -47.3 | 173 | 0 | 0 | 0 | 0 | 0 | 112.2 | V158 E159 D160 I164 Q165 Y166 | V158-G162 PolarHBondContact O-N 2.88Å; E159-G162 PolarHBondContact O-N 2.75Å; E159-G162 VanDerWaalsContact O-N 3.15Å; D160-G162 VanDerWaalsContact C-N 3.26Å; D160-G162 PolarHBondContact O-N 3.37Å; G162-I164 PolarHBondContact O-N 2.86Å; G162-Q165 PolarHBondContact O-N 2.88Å; G162-Y166 PolarHBondContact O-N 2.98Å |
| 163 | T | 95.6 | Very high | 95.3 | Very high | 2 Ų | 2 | 45.6 Ų | 45.6 | 1% | 0.012 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.9 | -43.4 | 176.3 | -60.5 | 0 | 0 | 0 | 0 | 111.8 | L99 E159 D160 Y166 L167 L208 | L99-T163 HydrophobicContact CB-CG2 4.42Å; E159-T163 PolarHBondContact O-N 2.89Å; E159-T163 PolarHBondContact O-OG1 3.24Å; D160-T163 PolarHBondContact O-N 2.91Å; T163-Y166 PolarHBondContact O-N 2.7Å; T163-L167 HydrophobicContact CG2-CD1 4.43Å; T163-L167 WeakPolarHBondContact O-CG 3.05Å; T163-L167 PolarHBondContact O-N 3.39Å; T163-L208 HydrophobicContact CG2-CD2 4Å |
| 164 | I | 97.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.4 | -46.8 | 175.2 | -67.6 | -61 | 0 | 0 | 0 | 110.8 | L151 T152 C153 D160 R161 G162 Y166 L167 Q168 F180 F206 L208 | L151-I164 HydrophobicContact CB-CD1 4.34Å; L151-I164 HydrophobicContact CB-CG2 3.74Å; L151-I164 HydrophobicContact CD2-CG2 4.32Å; T152-I164 WeakPolarHBondContact O-CD1 3.49Å; C153-I164 HydrophobicContact CB-CD1 4.33Å; C153-I164 HydrophobicContact CB-CG1 3.75Å; D160-I164 VanDerWaalsContact O-CG1 3.31Å; D160-I164 WeakPolarHBondContact O-CG1 3.22Å; D160-I164 PolarHBondContact O-N 3.13Å; R161-I164 PolarHBondContact O-N 3.09Å; G162-I164 PolarHBondContact O-N 2.86Å; I164-Y166 VanDerWaalsContact C-N 3.33Å; I164-Y166 PolarHBondContact O-N 3.3Å; I164-L167 PolarHBondContact O-N 3.02Å; I164-Q168 HydrophobicContact CG2-CG 4.28Å; I164-Q168 WeakPolarHBondContact O-CG 3.41Å; I164-Q168 PolarHBondContact O-N 2.83Å; I164-F180 HydrophobicContact CG2-CD2 3.69Å; I164-F180 HydrophobicContact CG2-CE2 4Å; I164-F206 HydrophobicContact CD1-CD1 3.68Å; I164-F206 HydrophobicContact CD1-CE1 3.55Å; I164-L208 HydrophobicContact CD1-CB 3.78Å; I164-L208 HydrophobicContact CD1-CD2 4.48Å; I164-L208 HydrophobicContact CG1-CB 4.37Å; I164-L208 HydrophobicContact CG1-CD2 4.45Å |
| 165 | Q | 97.1 | Very high | 95.5 | Very high | 72 Ų | 72 | 50.8 Ų | 50.8 | 34% | 0.336 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -60.6 | -43.9 | 179.1 | -175 | 61.4 | 62.1 | 0 | 0 | 111.4 | R161 G162 L167 Q168 D169 | R161-Q165 WeakPolarHBondContact O-CB 3.39Å; R161-Q165 PolarHBondContact O-N 3.32Å; G162-Q165 PolarHBondContact O-N 2.88Å; Q165-L167 VanDerWaalsContact C-N 3.33Å; Q165-L167 PolarHBondContact O-N 2.92Å; Q165-Q168 WeakPolarHBondContact O-CB 3.28Å; Q165-Q168 PolarHBondContact O-N 2.78Å; Q165-Q168 VanDerWaalsContact O-N 3.12Å; Q165-D169 PolarHBondContact NE2-OD1 2.9Å; Q165-D169 VanDerWaalsContact O-CG 3.23Å; Q165-D169 PolarHBondContact O-N 3.29Å |
| 166 | Y | 97.3 | Very high | 95.7 | Very high | 7 Ų | 7 | 46.8 Ų | 46.8 | 3% | 0.027 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -57.3 | -45.4 | 174.9 | 171.6 | -108.5 | 0 | 0 | 0 | 112.1 | L99 Y100 A103 F104 Q130 L133 G162 T163 I164 Q168 D169 C170 | L99-Y166 HydrophobicContact CD2-CD1 3.88Å; L99-Y166 HydrophobicContact CD2-CE1 3.74Å; L99-Y166 HydrophobicContact CG-CD1 4.07Å; L99-Y166 HydrophobicContact CG-CE1 3.76Å; Y100-Y166 HydrophobicContact CD2-CD1 4.43Å; Y100-Y166 AromaticContact CD2-CD2 3.4Å; Y100-Y166 HydrophobicContact CD2-CD2 3.4Å; Y100-Y166 VanDerWaalsContact CD2-CD2 3.4Å; Y100-Y166 HydrophobicContact CD2-CE2 4.17Å; Y100-Y166 AromaticContact CD2-CG 3.56Å; Y100-Y166 HydrophobicContact CD2-CG 3.56Å; Y100-Y166 AromaticContact CE2-CD2 3.79Å; Y100-Y166 HydrophobicContact CE2-CD2 3.79Å; Y100-Y166 HydrophobicContact CE2-CG 4.27Å; Y100-Y166 HydrophobicContact CG-CD2 4.4Å; Y100-Y166 HydrophobicContact CG-CG 4.14Å; A103-Y166 HydrophobicContact CB-CE1 4.07Å; A103-Y166 HydrophobicContact CB-CE2 4.37Å; A103-Y166 WeakPolarHBondContact CB-OH 3.35Å; F104-Y166 HydrophobicContact CB-CE2 4.19Å; Q130-Y166 WeakPolarHBondContact CA-OH 3.21Å; L133-Y166 HydrophobicContact CD1-CE1 3.73Å; G162-Y166 PolarHBondContact O-N 2.98Å; T163-Y166 PolarHBondContact O-N 2.7Å; I164-Y166 VanDerWaalsContact C-N 3.33Å; I164-Y166 PolarHBondContact O-N 3.3Å; Y166-Q168 VanDerWaalsContact C-N 3.35Å; Y166-Q168 PolarHBondContact O-N 2.87Å; Y166-D169 PolarHBondContact O-N 3.05Å; Y166-C170 PolarHBondContact O-N 2.81Å; Y166-C170 VanDerWaalsContact O-N 3.08Å; Y166-C170 PolarHBondContact O-SG 3.33Å |
| 167 | L | 98.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.8 | -34.9 | 175.5 | -69.9 | 175.3 | 0 | 0 | 0 | 112.9 | L72 Y73 L99 L133 F137 L151 T163 I164 Q165 D169 A171 F206 | L72-L167 HydrophobicContact CD2-CD1 4.39Å; L72-L167 HydrophobicContact CD2-CD2 4.04Å; Y73-L167 HydrophobicContact CE1-CD1 4.2Å; L99-L167 HydrophobicContact CD2-CD2 3.67Å; L99-L167 HydrophobicContact CD2-CG 4.21Å; L133-L167 HydrophobicContact CD1-CD2 4.38Å; L133-L167 HydrophobicContact CD2-CD2 4.29Å; F137-L167 HydrophobicContact CE2-CD2 4.42Å; F137-L167 HydrophobicContact CZ-CD2 4.46Å; L151-L167 HydrophobicContact CD2-CB 3.89Å; T163-L167 HydrophobicContact CG2-CD1 4.43Å; T163-L167 WeakPolarHBondContact O-CG 3.05Å; T163-L167 PolarHBondContact O-N 3.39Å; I164-L167 PolarHBondContact O-N 3.02Å; Q165-L167 VanDerWaalsContact C-N 3.33Å; Q165-L167 PolarHBondContact O-N 2.92Å; L167-D169 VanDerWaalsContact C-N 3.31Å; L167-A171 VanDerWaalsContact O-CB 3.32Å; L167-A171 WeakPolarHBondContact O-CB 3.45Å; L167-A171 PolarHBondContact O-N 2.98Å; L167-F206 HydrophobicContact CD1-CD1 4.1Å; L167-F206 HydrophobicContact CD1-CE1 3.48Å; L167-F206 VanDerWaalsContact CD1-CE1 3.48Å; L167-F206 HydrophobicContact CD1-CE2 4.11Å; L167-F206 HydrophobicContact CD1-CZ 3.5Å |
| 168 | Q | 98.3 | Very high | 96.6 | Very high | 15 Ų | 15 | 41.7 Ų | 41.7 | 7% | 0.07 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.7 | -40.9 | 172.7 | -71.8 | -171.4 | -96.7 | 0 | 0 | 111.3 | L151 I164 Q165 Y166 A171 T172 T178 | L151-Q168 HydrophobicContact CB-CG 4.48Å; L151-Q168 HydrophobicContact CD1-CG 3.71Å; L151-Q168 HydrophobicContact CD2-CG 3.85Å; L151-Q168 HydrophobicContact CG-CG 4.21Å; I164-Q168 HydrophobicContact CG2-CG 4.28Å; I164-Q168 WeakPolarHBondContact O-CG 3.41Å; I164-Q168 PolarHBondContact O-N 2.83Å; Q165-Q168 WeakPolarHBondContact O-CB 3.28Å; Q165-Q168 PolarHBondContact O-N 2.78Å; Q165-Q168 VanDerWaalsContact O-N 3.12Å; Y166-Q168 VanDerWaalsContact C-N 3.35Å; Y166-Q168 PolarHBondContact O-N 2.87Å; Q168-A171 PolarHBondContact O-N 3.21Å; Q168-T172 VanDerWaalsContact O-CB 3.31Å; Q168-T172 WeakPolarHBondContact O-CB 3.15Å; Q168-T172 PolarHBondContact O-N 3.26Å; Q168-T172 PolarHBondContact O-OG1 2.94Å; Q168-T178 PolarHBondContact NE2-OG1 3.31Å; Q168-T178 VanDerWaalsContact NE2-OG1 3.11Å |
| 169 | D | 97.9 | Very high | 97 | Very high | 84 Ų | 84 | 40.9 Ų | 40.9 | 45% | 0.449 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -66.2 | -46.9 | 179.9 | -62.4 | -17.3 | 0 | 0 | 0 | 110.4 | Q165 Y166 L167 A171 T172 E173 | Q165-D169 PolarHBondContact NE2-OD1 2.9Å; Q165-D169 VanDerWaalsContact O-CG 3.23Å; Q165-D169 PolarHBondContact O-N 3.29Å; Y166-D169 PolarHBondContact O-N 3.05Å; L167-D169 VanDerWaalsContact C-N 3.31Å; D169-A171 PolarHBondContact O-N 3.48Å; D169-T172 PolarHBondContact O-N 2.88Å; D169-E173 PolarHBondContact O-N 2.93Å |
| 170 | C | 98.4 | Very high | 97.4 | Very high | 3 Ų | 3 | 42.1 Ų | 42.1 | 2% | 0.02 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.4 | -43.5 | 173.6 | -64.6 | 0 | 0 | 0 | 0 | 112.7 | L133 I134 F137 Y166 T172 E173 A174 | L133-C170 HydrophobicContact CB-CB 4.39Å; I134-C170 HydrophobicContact CG1-CB 4.1Å; F137-C170 HydrophobicContact CD2-CB 3.94Å; F137-C170 HydrophobicContact CE2-CB 3.84Å; Y166-C170 PolarHBondContact O-N 2.81Å; Y166-C170 VanDerWaalsContact O-N 3.08Å; Y166-C170 PolarHBondContact O-SG 3.33Å; C170-T172 VanDerWaalsContact C-N 3.34Å; C170-E173 PolarHBondContact O-N 3.15Å; C170-A174 PolarHBondContact O-N 3.15Å; C170-A174 VanDerWaalsContact O-N 3.13Å |
| 171 | A | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -66.1 | -37.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112 | F137 L167 Q168 D169 A174 E175 I176 T178 | F137-A171 HydrophobicContact CD1-CB 4.01Å; F137-A171 HydrophobicContact CD2-CB 4.07Å; F137-A171 HydrophobicContact CE1-CB 4.01Å; F137-A171 HydrophobicContact CE2-CB 4.07Å; F137-A171 HydrophobicContact CG-CB 4.05Å; F137-A171 HydrophobicContact CZ-CB 4.04Å; L167-A171 VanDerWaalsContact O-CB 3.32Å; L167-A171 WeakPolarHBondContact O-CB 3.45Å; L167-A171 PolarHBondContact O-N 2.98Å; Q168-A171 PolarHBondContact O-N 3.21Å; D169-A171 PolarHBondContact O-N 3.48Å; A171-A174 CarbonylContact O-C 3.57Å; A171-A174 PolarHBondContact O-N 3.42Å; A171-E175 PolarHBondContact O-N 3.09Å; A171-I176 HydrophobicContact CB-CB 4.3Å; A171-I176 WeakPolarHBondContact O-CB 3.28Å; A171-I176 PolarHBondContact O-N 3.31Å; A171-T178 HydrophobicContact CB-CG2 3.71Å |
| 172 | T | 98.1 | Very high | 97.7 | Very high | 81 Ų | 81 | 41 Ų | 41 | 50% | 0.497 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -66.2 | -39.8 | 176.6 | -60.1 | 0 | 0 | 0 | 0 | 111.2 | Q168 D169 C170 A174 E175 | Q168-T172 VanDerWaalsContact O-CB 3.31Å; Q168-T172 WeakPolarHBondContact O-CB 3.15Å; Q168-T172 PolarHBondContact O-N 3.26Å; Q168-T172 PolarHBondContact O-OG1 2.94Å; D169-T172 PolarHBondContact O-N 2.88Å; C170-T172 VanDerWaalsContact C-N 3.34Å; T172-A174 VanDerWaalsContact C-N 3.26Å; T172-A174 PolarHBondContact O-N 3.21Å; T172-E175 WeakPolarHBondContact O-CA 3.27Å; T172-E175 PolarHBondContact O-N 3.09Å |
| 173 | E | 98.1 | Very high | 97.9 | Very high | 125 Ų | 125 | 41.2 Ų | 41.2 | 58% | 0.584 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -64.7 | -31.4 | 174.5 | -169.7 | 165.8 | -179.1 | 0 | 0 | 112.3 | I134 D169 C170 E175 | I134-E173 HydrophobicContact CD1-CB 4.34Å; I134-E173 VanDerWaalsContact CD1-CD 3.44Å; I134-E173 HydrophobicContact CD1-CG 4.07Å; I134-E173 VanDerWaalsContact CD1-OE2 3.22Å; I134-E173 WeakPolarHBondContact CD1-OE2 3.29Å; I134-E173 HydrophobicContact CG1-CB 4.3Å; I134-E173 HydrophobicContact CG1-CG 4.44Å; I134-E173 HydrophobicContact CG2-CB 4.48Å; I134-E173 HydrophobicContact CG2-CG 4.26Å; D169-E173 PolarHBondContact O-N 2.93Å; C170-E173 PolarHBondContact O-N 3.15Å; E173-E175 PolarHBondContact O-N 2.82Å |
| 174 | A | 98.4 | Very high | 97.8 | Very high | 1 Ų | 1 | 45.9 Ų | 45.9 | 1% | 0.008 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | 9.4 | 168.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | I134 F137 V138 R141 C170 A171 T172 I176 | I134-A174 HydrophobicContact CG2-CB 4.3Å; F137-A174 HydrophobicContact CB-CB 3.38Å; V138-A174 HydrophobicContact CG2-CB 3.74Å; R141-A174 PolarHBondContact NH1-O 3.03Å; C170-A174 PolarHBondContact O-N 3.15Å; C170-A174 VanDerWaalsContact O-N 3.13Å; A171-A174 CarbonylContact O-C 3.57Å; A171-A174 PolarHBondContact O-N 3.42Å; T172-A174 VanDerWaalsContact C-N 3.26Å; T172-A174 PolarHBondContact O-N 3.21Å; A174-I176 VanDerWaalsContact C-N 3.28Å; A174-I176 PolarHBondContact O-N 2.66Å |
| 175 | E | 98.3 | Very high | 97.8 | Very high | 145 Ų | 145 | 48 Ų | 48 | 68% | 0.678 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.4 | 32.6 | -178.2 | -37.3 | 171.4 | 96.6 | 0 | 0 | 114.3 | R141 A171 T172 E173 | R141-E175 IonicContact CZ-OE2 2.94Å; R141-E175 IonicContact NH1-OE2 2.65Å; R141-E175 PolarHBondContact NH1-OE2 3.41Å; R141-E175 IonicContact NH2-OE2 3.24Å; A171-E175 PolarHBondContact O-N 3.09Å; T172-E175 WeakPolarHBondContact O-CA 3.27Å; T172-E175 PolarHBondContact O-N 3.09Å; E173-E175 PolarHBondContact O-N 2.82Å |
| 176 | I | 98.5 | Very high | 97.8 | Very high | 4 Ų | 4 | 46.3 Ų | 46.3 | 2% | 0.021 | 24% | 0.239 | C | C | . | . | trans | -90.8 | 126.1 | 166.1 | -59.8 | -176.5 | 0 | 0 | 0 | 108.2 | F137 R141 F146 L149 A171 A174 | F137-I176 HydrophobicContact CB-CD1 3.93Å; F137-I176 HydrophobicContact CD1-CD1 3.9Å; F137-I176 HydrophobicContact CG-CD1 4.34Å; F137-I176 WeakPolarHBondContact O-CD1 3.4Å; R141-I176 HydrophobicContact CB-CD1 4.09Å; R141-I176 HydrophobicContact CB-CG1 3.95Å; R141-I176 HydrophobicContact CG-CG1 4.32Å; F146-I176 HydrophobicContact CB-CD1 4.07Å; F146-I176 WeakPolarHBondContact O-CG1 3.41Å; L149-I176 HydrophobicContact CB-CG2 3.79Å; A171-I176 HydrophobicContact CB-CB 4.3Å; A171-I176 WeakPolarHBondContact O-CB 3.28Å; A171-I176 PolarHBondContact O-N 3.31Å; A174-I176 VanDerWaalsContact C-N 3.28Å; A174-I176 PolarHBondContact O-N 2.66Å | ||
| 177 | A | 98.2 | Very high | 97.8 | Very high | 55 Ų | 55 | 47.2 Ų | 47.2 | 46% | 0.455 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 137 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | Q147 L148 L149 | Q147-A177 WeakPolarHBondContact O-CB 3.44Å; Q147-A177 PolarHBondContact O-N 3.38Å; L148-A177 CarbonylContact C-O 3.58Å; L148-A177 WeakPolarHBondContact CA-O 3.26Å; L148-A177 HydrophobicContact CD1-CB 4.01Å; L149-A177 PolarHBondContact N-O 2.7Å |
| 178 | T | 98.3 | Very high | 97.6 | Very high | 27 Ų | 27 | 50.7 Ų | 50.7 | 17% | 0.166 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 146.6 | -179.5 | 68.7 | 0 | 0 | 0 | 0 | 112.6 | L149 L151 Q168 A171 | L149-T178 VanDerWaalsContact O-CA 3.27Å; L149-T178 WeakPolarHBondContact O-CA 3.47Å; L151-T178 HydrophobicContact CD1-CG2 3.78Å; Q168-T178 PolarHBondContact NE2-OG1 3.31Å; Q168-T178 VanDerWaalsContact NE2-OG1 3.11Å; A171-T178 HydrophobicContact CB-CG2 3.71Å |
| 179 | E | 97.9 | Very high | 97.3 | Very high | 94 Ų | 94 | 51 Ų | 51 | 44% | 0.439 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 144 | 171.5 | -71.9 | -66.6 | 167.5 | 0 | 0 | 109.1 | L148 L149 H150 L151 | L148-E179 HydrophobicContact CD1-CG 3.93Å; L149-E179 PolarHBondContact O-N 2.99Å; H150-E179 CarbonylContact C-O 3.56Å; H150-E179 WeakPolarHBondContact CA-O 3.38Å; L151-E179 PolarHBondContact N-O 3.37Å |
| 180 | F | 98.1 | Very high | 96.8 | Very high | 50 Ų | 50 | 57.1 Ų | 57.1 | 22% | 0.219 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 140.2 | 178.3 | 173 | -103.3 | 0 | 0 | 0 | 111.7 | L151 I164 Y182 | L151-F180 WeakPolarHBondContact O-CA 3.43Å; L151-F180 VanDerWaalsContact O-CD2 3.24Å; L151-F180 WeakPolarHBondContact O-CD2 3.09Å; I164-F180 HydrophobicContact CG2-CD2 3.69Å; I164-F180 HydrophobicContact CG2-CE2 4Å; F180-Y182 HydrophobicContact CE1-CD1 4.29Å; F180-Y182 HydrophobicContact CE1-CD2 4.22Å; F180-Y182 HydrophobicContact CE1-CE1 4.05Å; F180-Y182 AromaticContact CE1-CE2 3.98Å; F180-Y182 HydrophobicContact CE1-CE2 3.98Å; F180-Y182 HydrophobicContact CE1-CG 4.4Å; F180-Y182 AromaticContact CE1-CZ 3.9Å; F180-Y182 AromaticContact CZ-CD1 3.77Å; F180-Y182 HydrophobicContact CZ-CD1 3.77Å; F180-Y182 HydrophobicContact CZ-CD2 4.46Å; F180-Y182 AromaticContact CZ-CE1 3.68Å; F180-Y182 HydrophobicContact CZ-CE1 3.68Å; F180-Y182 HydrophobicContact CZ-CE2 4.4Å; F180-Y182 HydrophobicContact CZ-CG 4.2Å |
| 181 | L | 97.8 | Very high | 96.4 | Very high | 5 Ų | 5 | 65.6 Ų | 65.6 | 3% | 0.026 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 154.2 | 168.5 | 71.1 | -179.7 | 0 | 0 | 0 | 110.3 | H150 L151 T152 D185 I186 D196 I202 | H150-L181 HydrophobicContact CB-CD2 4.13Å; L151-L181 PolarHBondContact O-N 3.22Å; T152-L181 VanDerWaalsContact CA-O 3.24Å; T152-L181 WeakPolarHBondContact CA-O 3.43Å; T152-L181 VanDerWaalsContact CB-O 3.24Å; T152-L181 WeakPolarHBondContact CB-O 3Å; T152-L181 PolarHBondContact OG1-O 3Å; L181-D185 HydrophobicContact CB-CB 4.28Å; L181-I186 HydrophobicContact CD1-CG1 3.9Å; L181-I186 HydrophobicContact CG-CG1 4.23Å; L181-D196 HydrophobicContact CD1-CB 3.88Å; L181-I202 HydrophobicContact CD1-CD1 4.16Å |
| 182 | Y | 97.7 | Very high | 96.1 | Very high | 65 Ų | 65 | 66.2 Ų | 66.2 | 26% | 0.255 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 155.7 | 173.4 | -62.9 | -78.1 | 0 | 0 | 0 | 111 | C154 R155 F180 D184 D185 | C154-Y182 WeakPolarHBondContact O-CD1 3.25Å; R155-Y182 HydrophobicContact CB-CD1 3.98Å; R155-Y182 HydrophobicContact CB-CE1 4.36Å; R155-Y182 HydrophobicContact CB-CG 4.31Å; R155-Y182 HydrophobicContact CG-CD1 4.09Å; R155-Y182 HydrophobicContact CG-CD2 4.49Å; R155-Y182 HydrophobicContact CG-CE1 4.13Å; R155-Y182 HydrophobicContact CG-CG 4.25Å; F180-Y182 HydrophobicContact CE1-CD1 4.29Å; F180-Y182 HydrophobicContact CE1-CD2 4.22Å; F180-Y182 HydrophobicContact CE1-CE1 4.05Å; F180-Y182 AromaticContact CE1-CE2 3.98Å; F180-Y182 HydrophobicContact CE1-CE2 3.98Å; F180-Y182 HydrophobicContact CE1-CG 4.4Å; F180-Y182 AromaticContact CE1-CZ 3.9Å; F180-Y182 AromaticContact CZ-CD1 3.77Å; F180-Y182 HydrophobicContact CZ-CD1 3.77Å; F180-Y182 HydrophobicContact CZ-CD2 4.46Å; F180-Y182 AromaticContact CZ-CE1 3.68Å; F180-Y182 HydrophobicContact CZ-CE1 3.68Å; F180-Y182 HydrophobicContact CZ-CE2 4.4Å; F180-Y182 HydrophobicContact CZ-CG 4.2Å; Y182-D184 WeakPolarHBondContact CB-OD1 3.3Å; Y182-D184 PolarHBondContact O-N 3.4Å; Y182-D185 WeakPolarHBondContact CB-OD2 3.3Å; Y182-D185 WeakPolarHBondContact CD2-OD2 3.34Å; Y182-D185 PolarHBondContact N-OD2 2.83Å; Y182-D185 WeakPolarHBondContact O-CB 3.49Å; Y182-D185 PolarHBondContact O-N 3.01Å |
| 183 | I | 96.8 | Very high | 96 | Very high | 31 Ų | 31 | 65.6 Ų | 65.6 | 16% | 0.159 | 34% | 0.337 | C | S | . | . | G | 310 helix | trans | -60.5 | -33.7 | -174.5 | -170.5 | 71.8 | 0 | 0 | 0 | 112 | T152 C153 D185 I186 Y209 | T152-I183 HydrophobicContact CG2-CD1 3.72Å; T152-I183 VanDerWaalsContact OG1-CA 3.22Å; T152-I183 WeakPolarHBondContact OG1-CA 3.19Å; T152-I183 PolarHBondContact OG1-N 2.93Å; C153-I183 PolarHBondContact O-N 3.13Å; I183-D185 VanDerWaalsContact C-N 3.31Å; I183-I186 HydrophobicContact CD1-CD1 3.94Å; I183-I186 PolarHBondContact O-N 2.9Å; I183-Y209 HydrophobicContact CB-CD2 4.45Å; I183-Y209 HydrophobicContact CB-CG 4.37Å; I183-Y209 HydrophobicContact CD1-CD1 4.04Å; I183-Y209 HydrophobicContact CD1-CG 4.14Å; I183-Y209 HydrophobicContact CG1-CD1 3.75Å; I183-Y209 HydrophobicContact CG1-CD2 4.23Å; I183-Y209 HydrophobicContact CG1-CE1 4.18Å; I183-Y209 HydrophobicContact CG1-CG 3.78Å; I183-Y209 HydrophobicContact CG2-CD2 3.99Å; I183-Y209 HydrophobicContact CG2-CE2 4.13Å; I183-Y209 HydrophobicContact CG2-CG 4.38Å |
| 184 | D | 95.2 | Very high | 96 | Very high | 100 Ų | 100 | 60.2 Ų | 60.2 | 54% | 0.535 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | -80.6 | -6.6 | 177.9 | 61.4 | -22.7 | 0 | 0 | 0 | 113.7 | R155 Y182 | R155-D184 IonicContact CZ-OD1 2.89Å; R155-D184 IonicContact CZ-OD2 3.48Å; R155-D184 IonicContact NE-OD1 3.15Å; R155-D184 PolarHBondContact NE-OD1 3.45Å; R155-D184 IonicContact NE-OD2 2.66Å; R155-D184 PolarHBondContact NE-OD2 3.06Å; R155-D184 VanDerWaalsContact NH2-CG 3.28Å; R155-D184 IonicContact NH2-OD1 3.85Å; R155-D184 PolarHBondContact NH2-OD1 3.04Å; R155-D184 IonicContact NH2-OD2 2.88Å; R155-D184 PolarHBondContact NH2-OD2 2.91Å; Y182-D184 WeakPolarHBondContact CB-OD1 3.3Å; Y182-D184 PolarHBondContact O-N 3.4Å |
| 185 | D | 97 | Very high | 95.9 | Very high | 45 Ų | 45 | 60.8 Ų | 60.8 | 24% | 0.241 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -87 | -12 | 171.5 | -68.3 | -35.1 | 0 | 0 | 0 | 112.7 | R155 L181 Y182 I183 G187 L197 | R155-D185 IonicContact CZ-OD1 3.82Å; R155-D185 IonicContact CZ-OD2 3.21Å; R155-D185 IonicContact NH1-OD2 3.53Å; R155-D185 IonicContact NH2-OD1 3.96Å; R155-D185 PolarHBondContact NH2-OD1 2.96Å; R155-D185 IonicContact NH2-OD2 3.64Å; R155-D185 PolarHBondContact NH2-OD2 2.82Å; R155-D185 VanDerWaalsContact NH2-OD2 3.15Å; L181-D185 HydrophobicContact CB-CB 4.28Å; Y182-D185 WeakPolarHBondContact CB-OD2 3.3Å; Y182-D185 WeakPolarHBondContact CD2-OD2 3.34Å; Y182-D185 PolarHBondContact N-OD2 2.83Å; Y182-D185 WeakPolarHBondContact O-CB 3.49Å; Y182-D185 PolarHBondContact O-N 3.01Å; I183-D185 VanDerWaalsContact C-N 3.31Å; D185-G187 PolarHBondContact O-N 3.06Å; D185-L197 HydrophobicContact CB-CD2 3.95Å; D185-L197 HydrophobicContact CB-CG 4.25Å |
| 186 | I | 97 | Very high | 95.9 | Very high | 35 Ų | 35 | 54.2 Ų | 54.2 | 18% | 0.179 | 29% | 0.285 | C | S | . | . | trans | -66.7 | 118.6 | -178.9 | -62.5 | 179.9 | 0 | 0 | 0 | 110.1 | T152 L181 I183 F194 I202 L205 | T152-I186 HydrophobicContact CG2-CD1 4.39Å; L181-I186 HydrophobicContact CD1-CG1 3.9Å; L181-I186 HydrophobicContact CG-CG1 4.23Å; I183-I186 HydrophobicContact CD1-CD1 3.94Å; I183-I186 PolarHBondContact O-N 2.9Å; I186-F194 HydrophobicContact CG2-CB 3.79Å; I186-F194 HydrophobicContact CG2-CD1 3.69Å; I186-F194 HydrophobicContact CG2-CG 4Å; I186-I202 HydrophobicContact CG1-CD1 4.29Å; I186-I202 HydrophobicContact CG2-CD1 4.11Å; I186-L205 HydrophobicContact CD1-CD2 3.76Å | ||
| 187 | G | 96.3 | Very high | 95.8 | Very high | 26 Ų | 26 | 59.1 Ų | 59.1 | 27% | 0.268 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 164.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | D185 F194 T195 | D185-G187 PolarHBondContact O-N 3.06Å; G187-F194 CarbonylContact O-C 3.57Å; G187-F194 VanDerWaalsContact O-CA 3.28Å; G187-F194 WeakPolarHBondContact O-CA 3.44Å; G187-T195 PolarHBondContact N-O 2.78Å; G187-T195 PolarHBondContact O-N 2.94Å |
| 188 | L | 95 | Very high | 95.6 | Very high | 74 Ų | 74 | 62.3 Ų | 62.3 | 39% | 0.387 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 108 | 169.7 | -174.4 | 71.7 | 0 | 0 | 0 | 109.1 | Q193 F194 F219 K222 | L188-Q193 CarbonylContact C-O 3.6Å; L188-F194 HydrophobicContact CD1-CD1 4.04Å; L188-F194 HydrophobicContact CD1-CE1 3.97Å; L188-F219 HydrophobicContact CD2-CD1 4.44Å; L188-K222 HydrophobicContact CD1-CB 4.36Å; L188-K222 HydrophobicContact CD1-CG 4.11Å; L188-K222 HydrophobicContact CD2-CG 4.24Å |
| 189 | G | 91.6 | Very high | 95.4 | Very high | 22 Ų | 22 | 67.5 Ų | 67.5 | 23% | 0.227 | 34% | 0.342 | C | S | . | . | trans | -68.2 | 163.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | K191 G192 Q193 | G189-K191 PolarHBondContact O-N 3.13Å; G189-G192 PolarHBondContact O-N 3.2Å; G189-Q193 PolarHBondContact N-O 2.65Å | ||
| 190 | E | 88 | Confident | 95.3 | Very high | 212 Ų | 212 | 67.8 Ų | 67.8 | 99% | 0.991 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -25.3 | -174.7 | -62.1 | -174.6 | 162.7 | 0 | 0 | 114.3 | ||
| 191 | K | 89.1 | Confident | 95.2 | Very high | 180 Ų | 180 | 68.7 Ų | 68.7 | 78% | 0.783 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | 4 | 178.7 | -63.7 | -179.8 | -177.8 | 173.4 | 0 | 113.7 | G189 Q193 | G189-K191 PolarHBondContact O-N 3.13Å; K191-Q193 HydrophobicContact CB-CG 4.37Å |
| 192 | G | 92.8 | Very high | 95.2 | Very high | 13 Ų | 13 | 68.4 Ų | 68.4 | 13% | 0.134 | 35% | 0.352 | C | S | . | . | S | Bend | trans | 82.7 | 14.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | G189 | G189-G192 PolarHBondContact O-N 3.2Š|
| 193 | Q | 95.9 | Very high | 95.2 | Very high | 69 Ų | 69 | 67.7 Ų | 67.7 | 32% | 0.322 | 36% | 0.356 | S | S | . | . | trans | -88.2 | 144.2 | 177.2 | -62.7 | 161.3 | -47.9 | 0 | 0 | 109.6 | L188 G189 K191 V201 | L188-Q193 CarbonylContact C-O 3.6Å; G189-Q193 PolarHBondContact N-O 2.65Å; K191-Q193 HydrophobicContact CB-CG 4.37Å; Q193-V201 HydrophobicContact CB-CG1 4.2Å; Q193-V201 HydrophobicContact CB-CG2 4.42Å | ||
| 194 | F | 97.4 | Very high | 95.2 | Very high | 12 Ų | 12 | 66.4 Ų | 66.4 | 5% | 0.053 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 142.6 | 170.9 | -66.7 | -62.5 | 0 | 0 | 0 | 110.7 | I186 G187 L188 I202 F219 K222 L223 A226 V228 W230 | I186-F194 HydrophobicContact CG2-CB 3.79Å; I186-F194 HydrophobicContact CG2-CD1 3.69Å; I186-F194 HydrophobicContact CG2-CG 4Å; G187-F194 CarbonylContact O-C 3.57Å; G187-F194 VanDerWaalsContact O-CA 3.28Å; G187-F194 WeakPolarHBondContact O-CA 3.44Å; L188-F194 HydrophobicContact CD1-CD1 4.04Å; L188-F194 HydrophobicContact CD1-CE1 3.97Å; F194-I202 HydrophobicContact CB-CB 4.47Å; F194-I202 HydrophobicContact CB-CD1 4.45Å; F194-I202 PolarHBondContact O-N 3.04Å; F194-F219 HydrophobicContact CE1-CB 4.32Å; F194-F219 HydrophobicContact CZ-CB 4.33Å; F194-K222 HydrophobicContact CE2-CB 4.44Å; F194-K222 HydrophobicContact CZ-CB 3.97Å; F194-L223 HydrophobicContact CE2-CD2 4.22Å; F194-L223 HydrophobicContact CZ-CD2 4.44Å; F194-A226 HydrophobicContact CD2-CB 3.44Å; F194-A226 VanDerWaalsContact CD2-CB 3.44Å; F194-A226 HydrophobicContact CE2-CB 3.58Å; F194-A226 HydrophobicContact CG-CB 4.37Å; F194-V228 HydrophobicContact CB-CG2 4.4Å; F194-V228 HydrophobicContact CD2-CG2 3.85Å; F194-W230 HydrophobicContact CD2-CH2 4.37Å; F194-W230 HydrophobicContact CD2-CZ2 4.12Å; F194-W230 HydrophobicContact CE2-CH2 4.25Å; F194-W230 AromaticContact CE2-CZ2 3.9Å; F194-W230 HydrophobicContact CE2-CZ2 3.9Å |
| 195 | T | 97.5 | Very high | 95.4 | Very high | 12 Ų | 12 | 61.6 Ų | 61.6 | 7% | 0.074 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 153.6 | -177.9 | 59.8 | 0 | 0 | 0 | 0 | 112.2 | G187 Q200 | G187-T195 PolarHBondContact N-O 2.78Å; G187-T195 PolarHBondContact O-N 2.94Å; T195-Q200 CarbonylContact C-O 3.57Å; T195-Q200 WeakPolarHBondContact CA-O 3.31Å; T195-Q200 WeakPolarHBondContact CB-O 3.26Å |
| 196 | D | 97.4 | Very high | 95.4 | Very high | 8 Ų | 8 | 59.5 Ų | 59.5 | 4% | 0.043 | 31% | 0.313 | C | S | . | . | trans | -85.1 | -173.8 | 171.7 | 66 | 21.3 | 0 | 0 | 0 | 112.7 | H150 L181 Q198 D199 Q200 I202 | H150-D196 IonicContact CD2-OD2 3.96Å; H150-D196 IonicContact CE1-OD2 3.97Å; H150-D196 IonicContact NE2-OD2 2.78Å; H150-D196 PolarHBondContact NE2-OD2 3.03Å; L181-D196 HydrophobicContact CD1-CB 3.88Å; D196-Q198 PolarHBondContact O-N 2.94Å; D196-Q198 VanDerWaalsContact O-N 3.15Å; D196-Q198 WeakPolarHBondContact OD1-CA 3.33Å; D196-Q198 PolarHBondContact OD1-N 2.82Å; D196-D199 PolarHBondContact O-N 2.98Å; D196-D199 VanDerWaalsContact O-N 3.11Å; D196-D199 PolarHBondContact OD1-N 3.4Å; D196-Q200 PolarHBondContact N-O 3.45Å; D196-Q200 PolarHBondContact OD1-N 2.92Å; D196-Q200 WeakPolarHBondContact OD2-CB 3.49Å; D196-I202 HydrophobicContact CB-CD1 4.47Å; D196-I202 HydrophobicContact CB-CG1 4.38Å | ||
| 197 | L | 96 | Very high | 95.5 | Very high | 107 Ų | 107 | 57.8 Ų | 57.8 | 56% | 0.56 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -10 | -179.6 | -69.5 | 174 | 0 | 0 | 0 | 114 | D185 | D185-L197 HydrophobicContact CB-CD2 3.95Å; D185-L197 HydrophobicContact CB-CG 4.25Å |
| 198 | Q | 95.3 | Very high | 95.5 | Very high | 121 Ų | 121 | 56.9 Ų | 56.9 | 57% | 0.565 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.1 | 17 | 176.9 | -66.8 | 75.7 | 38 | 0 | 0 | 111.9 | D196 Q200 | D196-Q198 PolarHBondContact O-N 2.94Å; D196-Q198 VanDerWaalsContact O-N 3.15Å; D196-Q198 WeakPolarHBondContact OD1-CA 3.33Å; D196-Q198 PolarHBondContact OD1-N 2.82Å; Q198-Q200 HydrophobicContact CB-CG 4.23Å; Q198-Q200 PolarHBondContact O-N 3.24Å |
| 199 | D | 93.7 | Very high | 95.6 | Very high | 136 Ų | 136 | 54.9 Ų | 54.9 | 73% | 0.727 | 28% | 0.28 | S | S | * | . | S | Bend | trans | 58.6 | 19.6 | -176.2 | -61.5 | -52.4 | 0 | 0 | 0 | 113.6 | D196 | D196-D199 PolarHBondContact O-N 2.98Å; D196-D199 VanDerWaalsContact O-N 3.11Å; D196-D199 PolarHBondContact OD1-N 3.4Å |
| 200 | Q | 95.2 | Very high | 95.8 | Very high | 101 Ų | 101 | 54.4 Ų | 54.4 | 47% | 0.472 | 27% | 0.273 | S | S | . | . | P | Polyproline II helix | trans | -77.7 | 138.7 | 172.9 | -51.4 | -170.4 | 7.7 | 0 | 0 | 109.6 | T195 D196 Q198 I202 | T195-Q200 CarbonylContact C-O 3.57Å; T195-Q200 WeakPolarHBondContact CA-O 3.31Å; T195-Q200 WeakPolarHBondContact CB-O 3.26Å; D196-Q200 PolarHBondContact N-O 3.45Å; D196-Q200 PolarHBondContact OD1-N 2.92Å; D196-Q200 WeakPolarHBondContact OD2-CB 3.49Å; Q198-Q200 HydrophobicContact CB-CG 4.23Å; Q198-Q200 PolarHBondContact O-N 3.24Å; Q200-I202 PolarHBondContact O-N 2.85Å |
| 201 | V | 96.4 | Very high | 96.3 | Very high | 68 Ų | 68 | 44.3 Ų | 44.3 | 41% | 0.412 | 23% | 0.226 | S | C | . | . | B | Isolated β-bridge | trans | -68 | 124 | 177.5 | 174.4 | 0 | 0 | 0 | 0 | 109.6 | Q193 S203 | Q193-V201 HydrophobicContact CB-CG1 4.2Å; Q193-V201 HydrophobicContact CB-CG2 4.42Å; V201-S203 PolarHBondContact O-N 3.47Å |
| 202 | I | 97.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.192 | C | C | . | . | P | Polyproline II helix | trans | -76.3 | 116.8 | 173.8 | -61 | 172.9 | 0 | 0 | 0 | 107.9 | H150 L181 I186 F194 D196 Q200 L205 V228 | H150-I202 HydrophobicContact CB-CG2 4.11Å; L181-I202 HydrophobicContact CD1-CD1 4.16Å; I186-I202 HydrophobicContact CG1-CD1 4.29Å; I186-I202 HydrophobicContact CG2-CD1 4.11Å; F194-I202 HydrophobicContact CB-CB 4.47Å; F194-I202 HydrophobicContact CB-CD1 4.45Å; F194-I202 PolarHBondContact O-N 3.04Å; D196-I202 HydrophobicContact CB-CD1 4.47Å; D196-I202 HydrophobicContact CB-CG1 4.38Å; Q200-I202 PolarHBondContact O-N 2.85Å; I202-L205 HydrophobicContact CG2-CB 3.87Å; I202-L205 HydrophobicContact CG2-CD1 4.41Å; I202-L205 HydrophobicContact CG2-CD2 4.31Å; I202-L205 HydrophobicContact CG2-CG 4.44Å; I202-V228 WeakPolarHBondContact O-CG2 3.31Å |
| 203 | S | 96.9 | Very high | 96.7 | Very high | 50 Ų | 50 | 39.3 Ų | 39.3 | 35% | 0.35 | 20% | 0.201 | S | C | . | . | trans | -105.9 | -28.5 | 177.9 | 60.2 | 0 | 0 | 0 | 0 | 113.7 | V201 R229 | V201-S203 PolarHBondContact O-N 3.47Å; S203-R229 PolarHBondContact O-N 2.93Å | ||
| 204 | N | 98 | Very high | 96.7 | Very high | 3 Ų | 3 | 36.6 Ų | 36.6 | 2% | 0.016 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 127.7 | 176.8 | -48.1 | -59.5 | 0 | 0 | 0 | 107.8 | F146 L148 L149 H150 R229 | F146-N204 HydrophobicContact CD1-CB 3.72Å; F146-N204 HydrophobicContact CE1-CB 3.79Å; F146-N204 HydrophobicContact CG-CB 4.41Å; L148-N204 WeakPolarHBondContact O-CB 3.42Å; L148-N204 PolarHBondContact O-ND2 2.98Å; L149-N204 HydrophobicContact CD1-CB 4.03Å; H150-N204 PolarHBondContact N-O 3.11Å; N204-R229 WeakPolarHBondContact CA-O 3.31Å; N204-R229 PolarHBondContact OD1-NE 3.21Å; N204-R229 PolarHBondContact OD1-NH2 3.19Å |
| 205 | L | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 117.8 | -175.1 | -177.2 | 56.4 | 0 | 0 | 0 | 110.4 | H150 T152 I186 I202 V228 R229 W230 L231 | H150-L205 HydrophobicContact CB-CD1 3.72Å; H150-L205 CarbonylContact O-C 3.53Å; H150-L205 WeakPolarHBondContact O-CA 3.24Å; H150-L205 WeakPolarHBondContact O-CD1 3.14Å; T152-L205 HydrophobicContact CG2-CD1 3.78Å; T152-L205 HydrophobicContact CG2-CD2 4.49Å; T152-L205 HydrophobicContact CG2-CG 4.3Å; I186-L205 HydrophobicContact CD1-CD2 3.76Å; I202-L205 HydrophobicContact CG2-CB 3.87Å; I202-L205 HydrophobicContact CG2-CD1 4.41Å; I202-L205 HydrophobicContact CG2-CD2 4.31Å; I202-L205 HydrophobicContact CG2-CG 4.44Å; L205-V228 HydrophobicContact CB-CG1 3.68Å; L205-R229 PolarHBondContact N-O 3.07Å; L205-W230 HydrophobicContact CB-CE3 4.4Å; L205-W230 HydrophobicContact CB-CZ3 4.48Å; L205-W230 HydrophobicContact CD2-CE3 4.06Å; L205-W230 HydrophobicContact CD2-CH2 3.79Å; L205-W230 HydrophobicContact CD2-CZ3 3.35Å; L205-W230 HydrophobicContact CG-CE3 4.37Å; L205-W230 HydrophobicContact CG-CZ3 4.11Å; L205-L231 PolarHBondContact O-N 3.1Å |
| 206 | F | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 133.1 | 161.2 | 178.8 | -92.5 | 0 | 0 | 0 | 110.1 | L72 Y73 L149 H150 L151 T152 I164 L167 L208 L231 | L72-F206 HydrophobicContact CD2-CD2 3.93Å; L72-F206 HydrophobicContact CD2-CE2 3.84Å; Y73-F206 AromaticContact CE1-CE2 3.75Å; Y73-F206 HydrophobicContact CE1-CE2 3.75Å; Y73-F206 AromaticContact CE1-CZ 3.74Å; Y73-F206 HydrophobicContact CE1-CZ 3.74Å; L149-F206 HydrophobicContact CD1-CB 4.13Å; L149-F206 HydrophobicContact CD2-CB 4.36Å; L149-F206 HydrophobicContact CG-CB 4.45Å; H150-F206 PolarHBondContact O-N 3.35Å; L151-F206 CarbonylContact C-O 3.55Å; L151-F206 WeakPolarHBondContact CA-O 3.22Å; L151-F206 HydrophobicContact CB-CB 4.44Å; L151-F206 HydrophobicContact CB-CD1 4.44Å; L151-F206 HydrophobicContact CD2-CB 4.24Å; L151-F206 HydrophobicContact CD2-CD1 4.08Å; L151-F206 HydrophobicContact CD2-CG 4.38Å; L151-F206 HydrophobicContact CG-CB 3.97Å; L151-F206 HydrophobicContact CG-CD1 4.41Å; T152-F206 WeakPolarHBondContact CG2-O 3.17Å; T152-F206 PolarHBondContact N-O 2.91Å; I164-F206 HydrophobicContact CD1-CD1 3.68Å; I164-F206 HydrophobicContact CD1-CE1 3.55Å; L167-F206 HydrophobicContact CD1-CD1 4.1Å; L167-F206 HydrophobicContact CD1-CE1 3.48Å; L167-F206 VanDerWaalsContact CD1-CE1 3.48Å; L167-F206 HydrophobicContact CD1-CE2 4.11Å; L167-F206 HydrophobicContact CD1-CZ 3.5Å; F206-L208 HydrophobicContact CE1-CB 4.13Å; F206-L231 CarbonylContact C-O 3.59Å; F206-L231 WeakPolarHBondContact CA-O 3.33Å; F206-L231 HydrophobicContact CB-CB 4.36Å; F206-L231 HydrophobicContact CD2-CB 4.09Å; F206-L231 HydrophobicContact CD2-CD2 4.16Å; F206-L231 HydrophobicContact CD2-CG 3.96Å; F206-L231 WeakPolarHBondContact CD2-O 3.35Å |
| 207 | K | 97.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 122.3 | 179.1 | 59 | 100.5 | -178.8 | 172.9 | 0 | 112.1 | D94 T152 Y209 M214 W230 L231 | D94-K207 VanDerWaalsContact CG-NZ 3.28Å; D94-K207 WeakPolarHBondContact OD1-CE 3.06Å; D94-K207 IonicContact OD1-NZ 3.91Å; D94-K207 PolarHBondContact OD1-NZ 3.3Å; D94-K207 IonicContact OD2-NZ 3.59Å; D94-K207 PolarHBondContact OD2-NZ 3.42Å; D94-K207 VanDerWaalsContact OD2-NZ 3.08Å; T152-K207 HydrophobicContact CG2-CB 3.62Å; K207-Y209 WeakPolarHBondContact CD-O 3.21Å; K207-Y209 WeakPolarHBondContact CE-O 3.39Å; K207-Y209 PolarHBondContact NZ-O 2.81Å; K207-Y209 PolarHBondContact O-N 3.17Å; K207-M214 HydrophobicContact CD-SD 3.69Å; K207-M214 HydrophobicContact CG-SD 4.26Å; K207-W230 HydrophobicContact CG-CE3 4.28Å; K207-L231 PolarHBondContact N-O 2.84Å |
| 208 | L | 97.3 | Very high | 96.5 | Very high | 6 Ų | 6 | 45 Ų | 45 | 3% | 0.031 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 58.9 | 160.7 | -163 | 63.1 | 0 | 0 | 0 | 108.5 | T95 T152 C153 D160 T163 I164 F206 | T95-L208 HydrophobicContact CG2-CD1 4Å; T152-L208 PolarHBondContact O-N 3.09Å; C153-L208 HydrophobicContact CB-CB 4.05Å; D160-L208 HydrophobicContact CB-CD2 3.65Å; D160-L208 HydrophobicContact CB-CG 4.49Å; T163-L208 HydrophobicContact CG2-CD2 4Å; I164-L208 HydrophobicContact CD1-CB 3.78Å; I164-L208 HydrophobicContact CD1-CD2 4.48Å; I164-L208 HydrophobicContact CG1-CB 4.37Å; I164-L208 HydrophobicContact CG1-CD2 4.45Å; F206-L208 HydrophobicContact CE1-CB 4.13Å |
| 209 | Y | 96.4 | Very high | 96.4 | Very high | 33 Ų | 33 | 43.5 Ų | 43.5 | 13% | 0.129 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -143 | 132.1 | 178.4 | -172.2 | -110.7 | 0 | 0 | 0 | 110 | C154 I183 K207 F213 M214 E217 | C154-Y209 WeakPolarHBondContact SG-CD2 3.03Å; I183-Y209 HydrophobicContact CB-CD2 4.45Å; I183-Y209 HydrophobicContact CB-CG 4.37Å; I183-Y209 HydrophobicContact CD1-CD1 4.04Å; I183-Y209 HydrophobicContact CD1-CG 4.14Å; I183-Y209 HydrophobicContact CG1-CD1 3.75Å; I183-Y209 HydrophobicContact CG1-CD2 4.23Å; I183-Y209 HydrophobicContact CG1-CE1 4.18Å; I183-Y209 HydrophobicContact CG1-CG 3.78Å; I183-Y209 HydrophobicContact CG2-CD2 3.99Å; I183-Y209 HydrophobicContact CG2-CE2 4.13Å; I183-Y209 HydrophobicContact CG2-CG 4.38Å; K207-Y209 WeakPolarHBondContact CD-O 3.21Å; K207-Y209 WeakPolarHBondContact CE-O 3.39Å; K207-Y209 PolarHBondContact NZ-O 2.81Å; K207-Y209 PolarHBondContact O-N 3.17Å; Y209-F213 HydrophobicContact CE1-CB 3.78Å; Y209-F213 HydrophobicContact CE1-CD2 4.37Å; Y209-F213 AromaticContact CE2-CD2 3.95Å; Y209-F213 HydrophobicContact CE2-CD2 3.95Å; Y209-F213 AromaticContact CZ-CD2 3.79Å; Y209-M214 HydrophobicContact CD1-CG 3.47Å; Y209-M214 VanDerWaalsContact CD1-CG 3.47Å; Y209-M214 HydrophobicContact CD1-SD 4.19Å; Y209-M214 HydrophobicContact CE1-CG 3.81Å; Y209-E217 WeakPolarHBondContact CE1-OE1 3.32Å; Y209-E217 PolarHBondContact OH-OE1 3.03Å |
| 210 | P | 96.2 | Very high | 96.5 | Very high | 11 Ų | 11 | 37.5 Ų | 37.5 | 7% | 0.071 | 18% | 0.182 | C | C | . | . | trans | -63.9 | 136.3 | -168.1 | -29.9 | 39.7 | 0 | 0 | 0 | 116.8 | D94 E212 F213 M214 R282 | D94-P210 WeakPolarHBondContact OD2-CA 3.29Å; P210-E212 HydrophobicContact CB-CG 3.95Å; P210-E212 WeakPolarHBondContact CB-OE1 3.43Å; P210-E212 WeakPolarHBondContact CB-OE2 3.33Å; P210-E212 PolarHBondContact O-N 3.36Å; P210-F213 HydrophobicContact CB-CB 4.46Å; P210-F213 HydrophobicContact CB-CD1 4.46Å; P210-F213 HydrophobicContact CB-CD2 3.79Å; P210-F213 HydrophobicContact CB-CE2 4.08Å; P210-F213 HydrophobicContact CB-CG 3.98Å; P210-F213 HydrophobicContact CG-CD2 3.66Å; P210-F213 HydrophobicContact CG-CE2 3.59Å; P210-F213 HydrophobicContact CG-CG 4.36Å; P210-F213 HydrophobicContact CG-CZ 4.24Å; P210-F213 PolarHBondContact O-N 2.83Å; P210-M214 PolarHBondContact O-N 2.92Å; P210-M214 VanDerWaalsContact O-N 3.12Å; P210-R282 VanDerWaalsContact CB-NH2 3.27Å; P210-R282 VanDerWaalsContact CG-CZ 3.4Å; P210-R282 VanDerWaalsContact CG-NE 3.33Å | ||
| 211 | W | 97.8 | Very high | 96.5 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 0% | 0.004 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.9 | -34.4 | 171 | -86.7 | 122.9 | 0 | 0 | 0 | 111.4 | F60 D94 F213 M214 L215 L223 W230 E232 P233 A234 | F60-W211 AromaticContact CE1-CH2 3.64Å; F60-W211 HydrophobicContact CE1-CH2 3.64Å; F60-W211 AromaticContact CE1-CZ3 3.64Å; F60-W211 HydrophobicContact CE1-CZ3 3.64Å; F60-W211 AromaticContact CZ-CH2 3.74Å; F60-W211 HydrophobicContact CZ-CH2 3.74Å; F60-W211 HydrophobicContact CZ-CZ3 4.16Å; D94-W211 VanDerWaalsContact CG-CD1 3.45Å; D94-W211 PolarHBondContact OD1-NE1 3.28Å; D94-W211 PolarHBondContact OD2-N 3.48Å; W211-F213 PolarHBondContact O-N 2.99Å; W211-M214 HydrophobicContact CE3-CB 3.96Å; W211-M214 HydrophobicContact CE3-SD 4.11Å; W211-M214 HydrophobicContact CZ3-CB 4.26Å; W211-M214 HydrophobicContact CZ3-CE 4.21Å; W211-M214 HydrophobicContact CZ3-SD 4.02Å; W211-M214 PolarHBondContact O-N 3.44Å; W211-L215 HydrophobicContact CB-CD1 4.42Å; W211-L215 HydrophobicContact CE3-CD2 4.01Å; W211-L215 HydrophobicContact CE3-CG 4.1Å; W211-L215 HydrophobicContact CZ3-CD2 4.37Å; W211-L215 WeakPolarHBondContact O-CB 3.29Å; W211-L215 WeakPolarHBondContact O-CG 3.45Å; W211-L215 PolarHBondContact O-N 3.23Å; W211-L223 HydrophobicContact CZ3-CD1 4.08Å; W211-L223 HydrophobicContact CZ3-CD2 4.45Å; W211-W230 HydrophobicContact CH2-CB 4.04Å; W211-W230 AromaticContact CH2-CD2 3.68Å; W211-W230 HydrophobicContact CH2-CD2 3.68Å; W211-W230 AromaticContact CH2-CE3 3.96Å; W211-W230 HydrophobicContact CH2-CE3 3.96Å; W211-W230 AromaticContact CH2-CG 3.71Å; W211-W230 HydrophobicContact CH2-CG 3.71Å; W211-W230 HydrophobicContact CZ2-CB 3.79Å; W211-W230 HydrophobicContact CZ2-CD2 4.26Å; W211-W230 HydrophobicContact CZ2-CE3 4.42Å; W211-W230 HydrophobicContact CZ2-CG 4Å; W211-E232 VanDerWaalsContact CZ2-O 3.28Å; W211-E232 WeakPolarHBondContact CZ2-O 3.31Å; W211-E232 PolarHBondContact NE1-O 2.82Å; W211-P233 PolarHBondContact NE1-O 2.97Å; W211-A234 HydrophobicContact CH2-CB 4.22Å; W211-A234 HydrophobicContact CZ2-CB 4.02Å |
| 212 | E | 95.2 | Very high | 96.4 | Very high | 16 Ų | 16 | 37.2 Ų | 37.2 | 8% | 0.075 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -57.3 | -33.7 | 177.9 | 64.2 | -96.3 | -164.6 | 0 | 0 | 112.6 | P210 R216 F280 R282 | P210-E212 HydrophobicContact CB-CG 3.95Å; P210-E212 WeakPolarHBondContact CB-OE1 3.43Å; P210-E212 WeakPolarHBondContact CB-OE2 3.33Å; P210-E212 PolarHBondContact O-N 3.36Å; E212-R216 VanDerWaalsContact O-CD 3.25Å; E212-R216 WeakPolarHBondContact O-CD 3.31Å; E212-R216 PolarHBondContact O-NH1 2.93Å; E212-F280 HydrophobicContact CB-CD1 3.7Å; E212-F280 HydrophobicContact CB-CD2 4.14Å; E212-F280 HydrophobicContact CB-CE1 3.83Å; E212-F280 HydrophobicContact CB-CE2 4.3Å; E212-F280 HydrophobicContact CB-CG 3.85Å; E212-F280 HydrophobicContact CB-CZ 4.15Å; E212-F280 HydrophobicContact CG-CB 4.26Å; E212-F280 HydrophobicContact CG-CD1 4.24Å; E212-F280 HydrophobicContact CG-CG 4.15Å; E212-R282 IonicContact OE1-CZ 3.25Å; E212-R282 IonicContact OE1-NE 2.77Å; E212-R282 PolarHBondContact OE1-NE 3.32Å; E212-R282 IonicContact OE1-NH2 3.02Å; E212-R282 PolarHBondContact OE1-NH2 3.14Å; E212-R282 IonicContact OE2-NH2 3.43Å; E212-R282 PolarHBondContact OE2-NH2 2.96Å |
| 213 | F | 95.9 | Very high | 96.3 | Very high | 72 Ų | 72 | 37.5 Ų | 37.5 | 32% | 0.316 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -77.7 | -54.5 | 176.2 | -57.9 | -15.9 | 0 | 0 | 0 | 110.8 | Y209 P210 W211 L215 R216 E217 Y303 | Y209-F213 HydrophobicContact CE1-CB 3.78Å; Y209-F213 HydrophobicContact CE1-CD2 4.37Å; Y209-F213 AromaticContact CE2-CD2 3.95Å; Y209-F213 HydrophobicContact CE2-CD2 3.95Å; Y209-F213 AromaticContact CZ-CD2 3.79Å; P210-F213 HydrophobicContact CB-CB 4.46Å; P210-F213 HydrophobicContact CB-CD1 4.46Å; P210-F213 HydrophobicContact CB-CD2 3.79Å; P210-F213 HydrophobicContact CB-CE2 4.08Å; P210-F213 HydrophobicContact CB-CG 3.98Å; P210-F213 HydrophobicContact CG-CD2 3.66Å; P210-F213 HydrophobicContact CG-CE2 3.59Å; P210-F213 HydrophobicContact CG-CG 4.36Å; P210-F213 HydrophobicContact CG-CZ 4.24Å; P210-F213 PolarHBondContact O-N 2.83Å; W211-F213 PolarHBondContact O-N 2.99Å; F213-L215 PolarHBondContact O-N 3.44Å; F213-L215 VanDerWaalsContact O-N 3.12Å; F213-R216 PolarHBondContact O-N 2.84Å; F213-E217 WeakPolarHBondContact O-CG 3.49Å; F213-E217 PolarHBondContact O-N 2.95Å; F213-E217 VanDerWaalsContact O-N 3.08Å; F213-Y303 HydrophobicContact CE1-CE1 4.39Å; F213-Y303 HydrophobicContact CZ-CE1 4.49Å |
| 214 | M | 96.9 | Very high | 96.2 | Very high | 12 Ų | 12 | 39.5 Ų | 39.5 | 6% | 0.059 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -55.2 | -37 | -177.8 | -67.7 | -170.8 | 73.3 | 0 | 0 | 113.4 | K207 Y209 P210 W211 R216 S220 L223 W230 | K207-M214 HydrophobicContact CD-SD 3.69Å; K207-M214 HydrophobicContact CG-SD 4.26Å; Y209-M214 HydrophobicContact CD1-CG 3.47Å; Y209-M214 VanDerWaalsContact CD1-CG 3.47Å; Y209-M214 HydrophobicContact CD1-SD 4.19Å; Y209-M214 HydrophobicContact CE1-CG 3.81Å; P210-M214 PolarHBondContact O-N 2.92Å; P210-M214 VanDerWaalsContact O-N 3.12Å; W211-M214 HydrophobicContact CE3-CB 3.96Å; W211-M214 HydrophobicContact CE3-SD 4.11Å; W211-M214 HydrophobicContact CZ3-CB 4.26Å; W211-M214 HydrophobicContact CZ3-CE 4.21Å; W211-M214 HydrophobicContact CZ3-SD 4.02Å; W211-M214 PolarHBondContact O-N 3.44Å; M214-R216 PolarHBondContact O-N 3.5Å; M214-S220 VanDerWaalsContact O-CB 3.27Å; M214-S220 WeakPolarHBondContact O-CB 3.49Å; M214-L223 HydrophobicContact CE-CD2 3.85Å; M214-W230 HydrophobicContact CE-CE3 4.1Å; M214-W230 HydrophobicContact CE-CH2 3.36Å; M214-W230 HydrophobicContact CE-CZ2 4.26Å; M214-W230 HydrophobicContact CE-CZ3 3.24Å; M214-W230 HydrophobicContact SD-CZ3 4.22Å |
| 215 | L | 97.6 | Very high | 96 | Very high | 3 Ų | 3 | 45.5 Ų | 45.5 | 2% | 0.016 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -14.3 | -179 | -63.4 | 175.5 | 0 | 0 | 0 | 113.3 | I53 P54 T57 F60 V61 W211 F213 S220 L223 | I53-L215 HydrophobicContact CG2-CD1 4.38Å; P54-L215 HydrophobicContact CG-CB 4.37Å; P54-L215 WeakPolarHBondContact CG-O 3.34Å; T57-L215 HydrophobicContact CG2-CB 4.35Å; T57-L215 HydrophobicContact CG2-CD2 3.88Å; F60-L215 HydrophobicContact CD1-CD2 4.26Å; F60-L215 HydrophobicContact CE1-CD2 4.45Å; V61-L215 HydrophobicContact CG2-CD1 4.46Å; W211-L215 HydrophobicContact CB-CD1 4.42Å; W211-L215 HydrophobicContact CE3-CD2 4.01Å; W211-L215 HydrophobicContact CE3-CG 4.1Å; W211-L215 HydrophobicContact CZ3-CD2 4.37Å; W211-L215 WeakPolarHBondContact O-CB 3.29Å; W211-L215 WeakPolarHBondContact O-CG 3.45Å; W211-L215 PolarHBondContact O-N 3.23Å; F213-L215 PolarHBondContact O-N 3.44Å; F213-L215 VanDerWaalsContact O-N 3.12Å; L215-S220 WeakPolarHBondContact O-CB 3.37Å; L215-L223 HydrophobicContact CD2-CD1 3.93Å |
| 216 | R | 96 | Very high | 95.8 | Very high | 95 Ų | 95 | 45.8 Ų | 45.8 | 36% | 0.358 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.1 | -20.3 | -179.6 | -72.8 | 168.2 | 178.8 | 50.5 | 15.3 | 113.8 | R52 P54 E212 F213 M214 | R52-R216 PolarHBondContact O-NH2 2.89Å; P54-R216 HydrophobicContact CG-CG 4.12Å; E212-R216 VanDerWaalsContact O-CD 3.25Å; E212-R216 WeakPolarHBondContact O-CD 3.31Å; E212-R216 PolarHBondContact O-NH1 2.93Å; F213-R216 PolarHBondContact O-N 2.84Å; M214-R216 PolarHBondContact O-N 3.5Å |
| 217 | E | 95.2 | Very high | 95.6 | Very high | 66 Ų | 66 | 48.6 Ų | 48.6 | 31% | 0.308 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -67.4 | 159.8 | 177.7 | -74 | 165.7 | -178.1 | 0 | 0 | 111.9 | Y209 F213 F219 S220 | Y209-E217 WeakPolarHBondContact CE1-OE1 3.32Å; Y209-E217 PolarHBondContact OH-OE1 3.03Å; F213-E217 WeakPolarHBondContact O-CG 3.49Å; F213-E217 PolarHBondContact O-N 2.95Å; F213-E217 VanDerWaalsContact O-N 3.08Å; E217-F219 PolarHBondContact O-N 2.74Å; E217-F219 VanDerWaalsContact O-N 3.16Å; E217-S220 WeakPolarHBondContact O-CB 3.36Å; E217-S220 PolarHBondContact O-N 3.35Å; E217-S220 PolarHBondContact O-OG 3.2Å |
| 218 | M | 93.9 | Very high | 95.5 | Very high | 151 Ų | 151 | 49.2 Ų | 49.2 | 74% | 0.744 | 25% | 0.254 | S | S | * | . | G | 310 helix | trans | -58.6 | -30.6 | -179.4 | 63.6 | -173.8 | -66.8 | 0 | 0 | 113.4 | S220 T221 | M218-S220 PolarHBondContact O-N 2.95Å; M218-T221 PolarHBondContact O-OG1 2.88Å |
| 219 | F | 93.7 | Very high | 95.5 | Very high | 90 Ų | 90 | 53.6 Ų | 53.6 | 40% | 0.395 | 27% | 0.27 | S | S | . | . | G | 310 helix | trans | -75.9 | -9.3 | 179 | -56.8 | -69.2 | 0 | 0 | 0 | 113.7 | L188 F194 E217 T221 K222 | L188-F219 HydrophobicContact CD2-CD1 4.44Å; F194-F219 HydrophobicContact CE1-CB 4.32Å; F194-F219 HydrophobicContact CZ-CB 4.33Å; E217-F219 PolarHBondContact O-N 2.74Å; E217-F219 VanDerWaalsContact O-N 3.16Å; F219-T221 PolarHBondContact O-N 3.3Å; F219-K222 WeakPolarHBondContact O-CB 3.32Å; F219-K222 PolarHBondContact O-N 3.45Å |
| 220 | S | 95.8 | Very high | 95.6 | Very high | 10 Ų | 10 | 52.2 Ų | 52.2 | 7% | 0.07 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -53.2 | -29.6 | 175.4 | 59.9 | 0 | 0 | 0 | 0 | 113.2 | H56 M214 L215 E217 M218 K222 L223 | H56-S220 PolarHBondContact NE2-OG 3.13Å; M214-S220 VanDerWaalsContact O-CB 3.27Å; M214-S220 WeakPolarHBondContact O-CB 3.49Å; L215-S220 WeakPolarHBondContact O-CB 3.37Å; E217-S220 WeakPolarHBondContact O-CB 3.36Å; E217-S220 PolarHBondContact O-N 3.35Å; E217-S220 PolarHBondContact O-OG 3.2Å; M218-S220 PolarHBondContact O-N 2.95Å; S220-K222 PolarHBondContact O-N 2.92Å; S220-L223 PolarHBondContact O-N 2.94Å |
| 221 | T | 94.2 | Very high | 95.7 | Very high | 87 Ų | 87 | 51.7 Ų | 51.7 | 53% | 0.534 | 26% | 0.261 | S | S | . | . | G | 310 helix | trans | -70 | -10 | 177 | 60.7 | 0 | 0 | 0 | 0 | 114.3 | M218 F219 | M218-T221 PolarHBondContact O-OG1 2.88Å; F219-T221 PolarHBondContact O-N 3.3Å |
| 222 | K | 95.1 | Very high | 95.7 | Very high | 76 Ų | 76 | 51.7 Ų | 51.7 | 33% | 0.33 | 26% | 0.261 | S | S | . | . | G | 310 helix | trans | -105.4 | -13.6 | 179.6 | -58.7 | -58.4 | 179.5 | -174.5 | 0 | 113.7 | L188 F194 F219 S220 E224 D225 A226 | L188-K222 HydrophobicContact CD1-CB 4.36Å; L188-K222 HydrophobicContact CD1-CG 4.11Å; L188-K222 HydrophobicContact CD2-CG 4.24Å; F194-K222 HydrophobicContact CE2-CB 4.44Å; F194-K222 HydrophobicContact CZ-CB 3.97Å; F219-K222 WeakPolarHBondContact O-CB 3.32Å; F219-K222 PolarHBondContact O-N 3.45Å; S220-K222 PolarHBondContact O-N 2.92Å; K222-E224 VanDerWaalsContact C-N 3.28Å; K222-E224 PolarHBondContact O-N 3.38Å; K222-D225 PolarHBondContact O-N 3.46Å; K222-A226 WeakPolarHBondContact O-CB 3.48Å; K222-A226 PolarHBondContact O-N 2.76Å |
| 223 | L | 96.2 | Very high | 95.8 | Very high | 5 Ų | 5 | 50.9 Ų | 50.9 | 3% | 0.026 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | -40.2 | -173.1 | -64.6 | 171.9 | 0 | 0 | 0 | 113.5 | F60 F194 W211 M214 L215 S220 W230 | F60-L223 HydrophobicContact CD1-CB 4.09Å; F60-L223 HydrophobicContact CD1-CD1 4.27Å; F60-L223 HydrophobicContact CD2-CB 4.29Å; F60-L223 HydrophobicContact CE1-CB 3.84Å; F60-L223 HydrophobicContact CE1-CD1 3.97Å; F60-L223 HydrophobicContact CE1-CG 4.45Å; F60-L223 HydrophobicContact CE2-CB 4.06Å; F60-L223 WeakPolarHBondContact CE2-O 3.45Å; F60-L223 HydrophobicContact CG-CB 4.3Å; F60-L223 HydrophobicContact CZ-CB 3.83Å; F194-L223 HydrophobicContact CE2-CD2 4.22Å; F194-L223 HydrophobicContact CZ-CD2 4.44Å; W211-L223 HydrophobicContact CZ3-CD1 4.08Å; W211-L223 HydrophobicContact CZ3-CD2 4.45Å; M214-L223 HydrophobicContact CE-CD2 3.85Å; L215-L223 HydrophobicContact CD2-CD1 3.93Å; S220-L223 PolarHBondContact O-N 2.94Å; L223-W230 HydrophobicContact CD2-CH2 3.84Å; L223-W230 HydrophobicContact CD2-CZ2 3.43Å; L223-W230 VanDerWaalsContact CD2-CZ2 3.43Å |
| 224 | E | 94 | Very high | 95.9 | Very high | 92 Ų | 92 | 47.5 Ų | 47.5 | 43% | 0.43 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -39.7 | -179 | -167.4 | 165.3 | -174.5 | 0 | 0 | 112.4 | S59 F60 K222 | S59-E224 WeakPolarHBondContact CB-OE1 3.41Å; S59-E224 WeakPolarHBondContact CB-OE2 3.41Å; S59-E224 PolarHBondContact OG-OE1 3.29Å; F60-E224 HydrophobicContact CB-CB 4.21Å; F60-E224 HydrophobicContact CB-CG 4.49Å; F60-E224 HydrophobicContact CD2-CB 4.07Å; F60-E224 HydrophobicContact CD2-CG 4.48Å; F60-E224 HydrophobicContact CG-CB 4.5Å; K222-E224 VanDerWaalsContact C-N 3.28Å; K222-E224 PolarHBondContact O-N 3.38Å |
| 225 | D | 93.3 | Very high | 96 | Very high | 130 Ų | 130 | 47.4 Ų | 47.4 | 70% | 0.695 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.9 | -18.7 | -173.2 | -65 | -35.7 | 0 | 0 | 0 | 113.7 | K222 G227 | K222-D225 PolarHBondContact O-N 3.46Å; D225-G227 PolarHBondContact O-N 3.34Å; D225-G227 VanDerWaalsContact O-N 3.13Å |
| 226 | A | 95 | Very high | 96.1 | Very high | 5 Ų | 5 | 47.2 Ų | 47.2 | 4% | 0.041 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -66.6 | -14.8 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | F194 K222 V228 | F194-A226 HydrophobicContact CD2-CB 3.44Å; F194-A226 VanDerWaalsContact CD2-CB 3.44Å; F194-A226 HydrophobicContact CE2-CB 3.58Å; F194-A226 HydrophobicContact CG-CB 4.37Å; K222-A226 WeakPolarHBondContact O-CB 3.48Å; K222-A226 PolarHBondContact O-N 2.76Å; A226-V228 VanDerWaalsContact C-N 3.3Å; A226-V228 HydrophobicContact CB-CG2 4.17Å; A226-V228 PolarHBondContact O-N 2.97Å |
| 227 | G | 93.6 | Very high | 96.2 | Very high | 60 Ų | 60 | 43.2 Ų | 43.2 | 62% | 0.619 | 23% | 0.227 | S | C | * | . | trans | 74.1 | 18.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | D225 | D225-G227 PolarHBondContact O-N 3.34Å; D225-G227 VanDerWaalsContact O-N 3.13Å | ||
| 228 | V | 96.9 | Very high | 96.3 | Very high | 12 Ų | 12 | 40.1 Ų | 40.1 | 7% | 0.073 | 21% | 0.212 | C | C | . | . | trans | -82.3 | 133.5 | 177.7 | -178.5 | 0 | 0 | 0 | 0 | 110.4 | F194 I202 L205 A226 W230 | F194-V228 HydrophobicContact CB-CG2 4.4Å; F194-V228 HydrophobicContact CD2-CG2 3.85Å; I202-V228 WeakPolarHBondContact O-CG2 3.31Å; L205-V228 HydrophobicContact CB-CG1 3.68Å; A226-V228 VanDerWaalsContact C-N 3.3Å; A226-V228 HydrophobicContact CB-CG2 4.17Å; A226-V228 PolarHBondContact O-N 2.97Å; V228-W230 HydrophobicContact CB-CD2 4.37Å; V228-W230 HydrophobicContact CB-CZ2 3.96Å; V228-W230 HydrophobicContact CG1-CD2 3.82Å; V228-W230 HydrophobicContact CG1-CE3 4.3Å; V228-W230 HydrophobicContact CG1-CG 4.14Å; V228-W230 HydrophobicContact CG1-CH2 4.46Å; V228-W230 HydrophobicContact CG1-CZ2 3.99Å; V228-W230 HydrophobicContact CG2-CZ2 4.22Å; V228-W230 VanDerWaalsContact O-CD1 3.27Å | ||
| 229 | R | 96.8 | Very high | 96.5 | Very high | 98 Ų | 98 | 33 Ų | 33 | 37% | 0.37 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 110.6 | 162.1 | -68.2 | -177.9 | -65.5 | -163.6 | 11.5 | 109 | Y144 G145 F146 S203 N204 L205 | Y144-R229 PolarHBondContact O-NH1 3.43Å; Y144-R229 PolarHBondContact O-NH2 2.78Å; G145-R229 PolarHBondContact O-NH2 2.92Å; F146-R229 HydrophobicContact CE2-CB 4.46Å; F146-R229 HydrophobicContact CZ-CB 4.06Å; S203-R229 PolarHBondContact O-N 2.93Å; N204-R229 WeakPolarHBondContact CA-O 3.31Å; N204-R229 PolarHBondContact OD1-NE 3.21Å; N204-R229 PolarHBondContact OD1-NH2 3.19Å; L205-R229 PolarHBondContact N-O 3.07Å |
| 230 | W | 97.8 | Very high | 96.7 | Very high | 5 Ų | 5 | 29.9 Ų | 29.9 | 2% | 0.019 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 135.9 | -174.7 | -61.6 | 90.7 | 0 | 0 | 0 | 111.7 | F60 F194 L205 K207 W211 M214 L223 V228 E232 | F60-W230 AromaticContact CE2-CD1 3.98Å; F60-W230 AromaticContact CE2-NE1 3.96Å; F60-W230 AromaticContact CZ-CD1 3.61Å; F60-W230 HydrophobicContact CZ-CG 4.35Å; F60-W230 AromaticContact CZ-NE1 3.64Å; F194-W230 HydrophobicContact CD2-CH2 4.37Å; F194-W230 HydrophobicContact CD2-CZ2 4.12Å; F194-W230 HydrophobicContact CE2-CH2 4.25Å; F194-W230 AromaticContact CE2-CZ2 3.9Å; F194-W230 HydrophobicContact CE2-CZ2 3.9Å; L205-W230 HydrophobicContact CB-CE3 4.4Å; L205-W230 HydrophobicContact CB-CZ3 4.48Å; L205-W230 HydrophobicContact CD2-CE3 4.06Å; L205-W230 HydrophobicContact CD2-CH2 3.79Å; L205-W230 HydrophobicContact CD2-CZ3 3.35Å; L205-W230 HydrophobicContact CG-CE3 4.37Å; L205-W230 HydrophobicContact CG-CZ3 4.11Å; K207-W230 HydrophobicContact CG-CE3 4.28Å; W211-W230 HydrophobicContact CH2-CB 4.04Å; W211-W230 AromaticContact CH2-CD2 3.68Å; W211-W230 HydrophobicContact CH2-CD2 3.68Å; W211-W230 AromaticContact CH2-CE3 3.96Å; W211-W230 HydrophobicContact CH2-CE3 3.96Å; W211-W230 AromaticContact CH2-CG 3.71Å; W211-W230 HydrophobicContact CH2-CG 3.71Å; W211-W230 HydrophobicContact CZ2-CB 3.79Å; W211-W230 HydrophobicContact CZ2-CD2 4.26Å; W211-W230 HydrophobicContact CZ2-CE3 4.42Å; W211-W230 HydrophobicContact CZ2-CG 4Å; M214-W230 HydrophobicContact CE-CE3 4.1Å; M214-W230 HydrophobicContact CE-CH2 3.36Å; M214-W230 HydrophobicContact CE-CZ2 4.26Å; M214-W230 HydrophobicContact CE-CZ3 3.24Å; M214-W230 HydrophobicContact SD-CZ3 4.22Å; L223-W230 HydrophobicContact CD2-CH2 3.84Å; L223-W230 HydrophobicContact CD2-CZ2 3.43Å; L223-W230 VanDerWaalsContact CD2-CZ2 3.43Å; V228-W230 HydrophobicContact CB-CD2 4.37Å; V228-W230 HydrophobicContact CB-CZ2 3.96Å; V228-W230 HydrophobicContact CG1-CD2 3.82Å; V228-W230 HydrophobicContact CG1-CE3 4.3Å; V228-W230 HydrophobicContact CG1-CG 4.14Å; V228-W230 HydrophobicContact CG1-CH2 4.46Å; V228-W230 HydrophobicContact CG1-CZ2 3.99Å; V228-W230 HydrophobicContact CG2-CZ2 4.22Å; V228-W230 VanDerWaalsContact O-CD1 3.27Å; W230-E232 CarbonylContact O-C 3.26Å |
| 231 | L | 98 | Very high | 96.7 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 108.5 | 172.9 | -163.4 | 65.6 | 0 | 0 | 0 | 107.5 | L72 F137 L140 F146 L205 F206 K207 | L72-L231 HydrophobicContact CB-CD1 3.79Å; L72-L231 HydrophobicContact CB-CD2 3.95Å; L72-L231 HydrophobicContact CB-CG 3.8Å; L72-L231 HydrophobicContact CD2-CD2 4.09Å; L72-L231 HydrophobicContact CG-CD2 4.44Å; F137-L231 HydrophobicContact CE1-CD2 4.38Å; L140-L231 HydrophobicContact CD1-CD1 4.5Å; L140-L231 HydrophobicContact CD1-CD2 3.8Å; F146-L231 HydrophobicContact CE1-CD2 4.37Å; L205-L231 PolarHBondContact O-N 3.1Å; F206-L231 CarbonylContact C-O 3.59Å; F206-L231 WeakPolarHBondContact CA-O 3.33Å; F206-L231 HydrophobicContact CB-CB 4.36Å; F206-L231 HydrophobicContact CD2-CB 4.09Å; F206-L231 HydrophobicContact CD2-CD2 4.16Å; F206-L231 HydrophobicContact CD2-CG 3.96Å; F206-L231 WeakPolarHBondContact CD2-O 3.35Å; K207-L231 PolarHBondContact N-O 2.84Å |
| 232 | E | 98.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.141 | C | C | . | . | S | Bend | cis | -73.8 | 148.1 | 2 | -65.9 | -60 | 173.4 | 0 | 0 | 114.1 | S71 L72 Y73 W211 W230 K236 | S71-E232 VanDerWaalsContact CA-OE2 3.27Å; S71-E232 WeakPolarHBondContact CA-OE2 3.27Å; S71-E232 VanDerWaalsContact CB-OE2 3.28Å; S71-E232 WeakPolarHBondContact CB-OE2 3.27Å; L72-E232 WeakPolarHBondContact CA-OE1 3.47Å; L72-E232 VanDerWaalsContact CB-OE1 3.24Å; L72-E232 WeakPolarHBondContact CB-OE1 3.43Å; L72-E232 PolarHBondContact N-OE1 3.46Å; L72-E232 PolarHBondContact N-OE2 2.9Å; Y73-E232 PolarHBondContact N-OE1 2.89Å; Y73-E232 VanDerWaalsContact O-OE1 3.09Å; W211-E232 VanDerWaalsContact CZ2-O 3.28Å; W211-E232 WeakPolarHBondContact CZ2-O 3.31Å; W211-E232 PolarHBondContact NE1-O 2.82Å; W230-E232 CarbonylContact O-C 3.26Å; E232-K236 HydrophobicContact CB-CB 4.3Å; E232-K236 HydrophobicContact CB-CD 3.56Å; E232-K236 HydrophobicContact CB-CG 4.48Å; E232-K236 HydrophobicContact CG-CD 3.75Å; E232-K236 IonicContact OE1-NZ 2.81Å; E232-K236 PolarHBondContact OE1-NZ 3.37Å; E232-K236 WeakPolarHBondContact OE2-CD 3.44Å; E232-K236 WeakPolarHBondContact OE2-CE 3.32Å; E232-K236 IonicContact OE2-NZ 2.83Å; E232-K236 PolarHBondContact OE2-NZ 3.01Å |
| 233 | P | 98.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 13% | 0.125 | C | C | . | . | trans | -67 | 155.7 | -179.8 | 28.5 | -38 | 0 | 0 | 0 | 112.3 | Q69 P70 W211 W235 K236 | Q69-P233 HydrophobicContact CB-CB 3.76Å; P70-P233 VanDerWaalsContact O-CD 3.23Å; P70-P233 WeakPolarHBondContact O-CD 3.29Å; P70-P233 WeakPolarHBondContact O-CG 3.33Å; W211-P233 PolarHBondContact NE1-O 2.97Å; P233-W235 HydrophobicContact CB-CG 4.47Å; P233-W235 HydrophobicContact CG-CD2 4.23Å; P233-W235 VanDerWaalsContact CG-CE2 3.44Å; P233-W235 HydrophobicContact CG-CG 4.35Å; P233-W235 HydrophobicContact CG-CZ2 3.85Å; P233-W235 PolarHBondContact O-N 2.8Å; P233-W235 VanDerWaalsContact O-N 3.09Å; P233-K236 HydrophobicContact CG-CD 4.42Å; P233-K236 HydrophobicContact CG-CG 4.45Å; P233-K236 WeakPolarHBondContact O-CB 3.5Å; P233-K236 PolarHBondContact O-N 2.85Å | ||
| 234 | A | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -26.3 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | F60 V61 W211 K236 S237 | F60-A234 HydrophobicContact CD1-CB 3.74Å; F60-A234 HydrophobicContact CE1-CB 3.32Å; F60-A234 HydrophobicContact CZ-CB 3.82Å; V61-A234 HydrophobicContact CG2-CB 4.28Å; W211-A234 HydrophobicContact CH2-CB 4.22Å; W211-A234 HydrophobicContact CZ2-CB 4.02Å; A234-K236 PolarHBondContact O-N 2.8Å; A234-S237 WeakPolarHBondContact O-CB 3.43Å; A234-S237 PolarHBondContact O-N 2.5Å; A234-S237 PolarHBondContact O-OG 2.93Å |
| 235 | W | 98.4 | Very high | 97.4 | Very high | 10 Ų | 10 | 18 Ų | 18 | 4% | 0.038 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -22.9 | 175.6 | 64 | -103.5 | 0 | 0 | 0 | 112.5 | L35 V38 S64 W65 Q69 P233 S237 I238 I239 | L35-W235 HydrophobicContact CD2-CH2 3.91Å; L35-W235 HydrophobicContact CD2-CZ3 3.78Å; V38-W235 HydrophobicContact CG1-CB 4.11Å; V38-W235 HydrophobicContact CG1-CE3 4.47Å; V38-W235 HydrophobicContact CG2-CE3 4.01Å; V38-W235 HydrophobicContact CG2-CZ3 4.44Å; S64-W235 WeakPolarHBondContact OG-CB 3.33Å; S64-W235 PolarHBondContact OG-N 2.77Å; W65-W235 HydrophobicContact CB-CB 4.08Å; W65-W235 HydrophobicContact CB-CG 4.44Å; W65-W235 HydrophobicContact CE3-CB 4.31Å; W65-W235 AromaticContact CE3-CD2 3.8Å; W65-W235 HydrophobicContact CE3-CD2 3.8Å; W65-W235 HydrophobicContact CE3-CE3 4.16Å; W65-W235 AromaticContact CE3-CG 3.86Å; W65-W235 HydrophobicContact CE3-CG 3.86Å; W65-W235 HydrophobicContact CZ3-CD2 4.12Å; W65-W235 HydrophobicContact CZ3-CE3 4.15Å; W65-W235 HydrophobicContact CZ3-CZ2 4.45Å; W65-W235 HydrophobicContact CZ3-CZ3 4.35Å; Q69-W235 PolarHBondContact O-NE1 2.71Å; P233-W235 HydrophobicContact CB-CG 4.47Å; P233-W235 HydrophobicContact CG-CD2 4.23Å; P233-W235 VanDerWaalsContact CG-CE2 3.44Å; P233-W235 HydrophobicContact CG-CG 4.35Å; P233-W235 HydrophobicContact CG-CZ2 3.85Å; P233-W235 PolarHBondContact O-N 2.8Å; P233-W235 VanDerWaalsContact O-N 3.09Å; W235-S237 PolarHBondContact O-N 2.81Å; W235-I238 WeakPolarHBondContact O-CB 3.49Å; W235-I238 PolarHBondContact O-N 3.02Å; W235-I239 HydrophobicContact CE3-CD1 4.48Å; W235-I239 HydrophobicContact CE3-CG1 4.44Å; W235-I239 HydrophobicContact CH2-CD1 4.45Å; W235-I239 HydrophobicContact CZ3-CD1 3.64Å; W235-I239 HydrophobicContact CZ3-CG1 4.08Å |
| 236 | K | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -66.8 | -14.1 | 172.9 | -78.5 | -177.7 | 147.5 | -172.6 | 0 | 113.3 | Y73 A93 E232 P233 A234 I238 I239 S240 | Y73-K236 PolarHBondContact O-NZ 2.7Å; A93-K236 HydrophobicContact CB-CD 4.46Å; A93-K236 HydrophobicContact CB-CG 4.43Å; A93-K236 VanDerWaalsContact O-CD 3.26Å; A93-K236 WeakPolarHBondContact O-CD 3.12Å; A93-K236 WeakPolarHBondContact O-CE 3.5Å; A93-K236 PolarHBondContact O-NZ 2.64Å; E232-K236 HydrophobicContact CB-CB 4.3Å; E232-K236 HydrophobicContact CB-CD 3.56Å; E232-K236 HydrophobicContact CB-CG 4.48Å; E232-K236 HydrophobicContact CG-CD 3.75Å; E232-K236 IonicContact OE1-NZ 2.81Å; E232-K236 PolarHBondContact OE1-NZ 3.37Å; E232-K236 WeakPolarHBondContact OE2-CD 3.44Å; E232-K236 WeakPolarHBondContact OE2-CE 3.32Å; E232-K236 IonicContact OE2-NZ 2.83Å; E232-K236 PolarHBondContact OE2-NZ 3.01Å; P233-K236 HydrophobicContact CG-CD 4.42Å; P233-K236 HydrophobicContact CG-CG 4.45Å; P233-K236 WeakPolarHBondContact O-CB 3.5Å; P233-K236 PolarHBondContact O-N 2.85Å; A234-K236 PolarHBondContact O-N 2.8Å; K236-I238 PolarHBondContact O-N 2.79Å; K236-I239 HydrophobicContact CB-CG1 4.44Å; K236-I239 HydrophobicContact CG-CD1 4.19Å; K236-I239 HydrophobicContact CG-CG1 4.24Å; K236-I239 PolarHBondContact O-N 2.98Å; K236-S240 VanDerWaalsContact O-CB 3.3Å; K236-S240 WeakPolarHBondContact O-CB 3.42Å; K236-S240 PolarHBondContact O-N 2.74Å; K236-S240 PolarHBondContact O-OG 3.03Å |
| 237 | S | 98.2 | Very high | 97.8 | Very high | 11 Ų | 11 | 12 Ų | 12 | 8% | 0.077 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -60.2 | -22.5 | 166.6 | 67.9 | 0 | 0 | 0 | 0 | 113.4 | A234 W235 N241 | A234-S237 WeakPolarHBondContact O-CB 3.43Å; A234-S237 PolarHBondContact O-N 2.5Å; A234-S237 PolarHBondContact O-OG 2.93Å; W235-S237 PolarHBondContact O-N 2.81Å; S237-N241 WeakPolarHBondContact O-CB 3.02Å |
| 238 | I | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 9.1 Ų | 9.1 | 0% | 0 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -78.7 | -51.6 | 176.7 | -65.1 | 165.1 | 0 | 0 | 0 | 110.1 | V37 V38 V41 I42 F51 I53 V61 W235 K236 N241 | V37-I238 HydrophobicContact CG1-CG2 4.46Å; V38-I238 HydrophobicContact CG1-CD1 4.08Å; V38-I238 HydrophobicContact CG2-CB 4.46Å; V38-I238 HydrophobicContact CG2-CG2 4.31Å; V41-I238 HydrophobicContact CB-CD1 4.12Å; V41-I238 HydrophobicContact CB-CG2 3.99Å; V41-I238 HydrophobicContact CG1-CD1 3.77Å; V41-I238 HydrophobicContact CG1-CG1 3.95Å; V41-I238 HydrophobicContact CG1-CG2 4.07Å; V41-I238 HydrophobicContact CG2-CG2 3.96Å; I42-I238 HydrophobicContact CG2-CD1 3.66Å; F51-I238 HydrophobicContact CD1-CB 4.39Å; F51-I238 HydrophobicContact CD1-CG2 3.85Å; F51-I238 HydrophobicContact CE1-CG2 3.59Å; F51-I238 VanDerWaalsContact CE1-O 3.3Å; F51-I238 WeakPolarHBondContact CE1-O 3.18Å; F51-I238 HydrophobicContact CZ-CG2 4.26Å; I53-I238 HydrophobicContact CD1-CD1 4.49Å; I53-I238 HydrophobicContact CD1-CG1 3.74Å; V61-I238 HydrophobicContact CG1-CD1 3.95Å; V61-I238 HydrophobicContact CG1-CG1 4.37Å; W235-I238 WeakPolarHBondContact O-CB 3.49Å; W235-I238 PolarHBondContact O-N 3.02Å; K236-I238 PolarHBondContact O-N 2.79Å; I238-N241 PolarHBondContact O-N 3.07Å |
| 239 | I | 98.3 | Very high | 98.2 | Very high | 1 Ų | 1 | 10.2 Ų | 10.2 | 1% | 0.005 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -82 | -13.6 | -173.7 | 57.1 | 158.4 | 0 | 0 | 0 | 114 | C34 V38 N91 A93 W235 K236 N241 L244 | C34-I239 HydrophobicContact CB-CB 4.39Å; C34-I239 HydrophobicContact CB-CG2 3.85Å; C34-I239 WeakPolarHBondContact O-CG2 3.43Å; V38-I239 HydrophobicContact CG2-CG2 3.43Å; V38-I239 VanDerWaalsContact CG2-CG2 3.43Å; N91-I239 WeakPolarHBondContact CB-O 3.43Å; A93-I239 HydrophobicContact CB-CD1 3.41Å; A93-I239 VanDerWaalsContact CB-CD1 3.41Å; A93-I239 HydrophobicContact CB-CG1 3.62Å; W235-I239 HydrophobicContact CE3-CD1 4.48Å; W235-I239 HydrophobicContact CE3-CG1 4.44Å; W235-I239 HydrophobicContact CH2-CD1 4.45Å; W235-I239 HydrophobicContact CZ3-CD1 3.64Å; W235-I239 HydrophobicContact CZ3-CG1 4.08Å; K236-I239 HydrophobicContact CB-CG1 4.44Å; K236-I239 HydrophobicContact CG-CD1 4.19Å; K236-I239 HydrophobicContact CG-CG1 4.24Å; K236-I239 PolarHBondContact O-N 2.98Å; I239-N241 VanDerWaalsContact C-N 3.31Å; I239-L244 HydrophobicContact CB-CD2 4.3Å; I239-L244 HydrophobicContact CG2-CD1 4.25Å; I239-L244 VanDerWaalsContact O-CD2 3.25Å; I239-L244 WeakPolarHBondContact O-CD2 3.46Å |
| 240 | S | 97.3 | Very high | 98.2 | Very high | 26 Ų | 26 | 11.2 Ų | 11.2 | 18% | 0.182 | 6% | 0.055 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -7.9 | 172.2 | -47.6 | 0 | 0 | 0 | 0 | 113.4 | N91 A93 D94 K236 | N91-S240 WeakPolarHBondContact O-CA 3.48Å; A93-S240 WeakPolarHBondContact CB-OG 3.43Å; A93-S240 PolarHBondContact N-OG 3.35Å; D94-S240 WeakPolarHBondContact CB-OG 3.33Å; D94-S240 PolarHBondContact N-OG 3.11Å; K236-S240 VanDerWaalsContact O-CB 3.3Å; K236-S240 WeakPolarHBondContact O-CB 3.42Å; K236-S240 PolarHBondContact O-N 2.74Å; K236-S240 PolarHBondContact O-OG 3.03Å |
| 241 | N | 96 | Very high | 98.3 | Very high | 4 Ų | 4 | 13.6 Ų | 13.6 | 2% | 0.021 | 7% | 0.067 | C | C | . | . | S | Bend | trans | -93.9 | 135.8 | -178 | 179.5 | -28.9 | 0 | 0 | 0 | 109.8 | F51 S237 I238 I239 A243 L244 I279 F280 | F51-N241 HydrophobicContact CD1-CB 4.2Å; F51-N241 PolarHBondContact O-ND2 3.24Å; S237-N241 WeakPolarHBondContact O-CB 3.02Å; I238-N241 PolarHBondContact O-N 3.07Å; I239-N241 VanDerWaalsContact C-N 3.31Å; N241-A243 PolarHBondContact O-N 3.4Å; N241-A243 VanDerWaalsContact O-N 3.13Å; N241-A243 WeakPolarHBondContact OD1-CB 3.44Å; N241-A243 PolarHBondContact OD1-N 3.2Å; N241-L244 WeakPolarHBondContact O-CB 2.93Å; N241-L244 PolarHBondContact O-N 3.14Å; N241-I279 WeakPolarHBondContact ND2-CG2 3.33Å; N241-I279 WeakPolarHBondContact OD1-CG2 3.49Å; N241-I279 PolarHBondContact OD1-O 3.37Å; N241-I279 VanDerWaalsContact OD1-O 3.06Å; N241-F280 HydrophobicContact CB-CE1 4.23Å; N241-F280 WeakPolarHBondContact ND2-CE1 3.45Å |
| 242 | K | 98.3 | Very high | 98.3 | Very high | 9 Ų | 9 | 16.3 Ų | 16.3 | 4% | 0.039 | 8% | 0.079 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -12.7 | -178.6 | -63.7 | -174.3 | 176.8 | 48.6 | 0 | 114.1 | E90 L244 L245 P246 K277 P278 I279 S281 I309 | E90-K242 WeakPolarHBondContact OE2-CE 3.45Å; E90-K242 IonicContact OE2-NZ 2.7Å; E90-K242 PolarHBondContact OE2-NZ 2.84Å; K242-L244 PolarHBondContact O-N 3.19Å; K242-L244 VanDerWaalsContact O-N 3.15Å; K242-L245 HydrophobicContact CB-CD1 4.44Å; K242-L245 PolarHBondContact O-N 3.46Å; K242-P246 WeakPolarHBondContact O-CD 3.46Å; K242-K277 HydrophobicContact CD-CB 3.56Å; K242-K277 HydrophobicContact CD-CD 3.85Å; K242-K277 HydrophobicContact CD-CG 4.31Å; K242-P278 WeakPolarHBondContact CD-O 3.32Å; K242-I279 PolarHBondContact N-O 2.99Å; K242-S281 WeakPolarHBondContact CE-OG 3.34Å; K242-S281 PolarHBondContact NZ-O 2.96Å; K242-S281 PolarHBondContact NZ-OG 3.15Å; K242-I309 HydrophobicContact CB-CG1 4.02Å |
| 243 | A | 98.4 | Very high | 98.3 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -17.7 | 163.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | F51 N241 L245 P246 F263 | F51-A243 HydrophobicContact CD1-CB 3.82Å; F51-A243 HydrophobicContact CD2-CB 4.02Å; F51-A243 HydrophobicContact CE1-CB 3.85Å; F51-A243 HydrophobicContact CE2-CB 4.05Å; F51-A243 HydrophobicContact CG-CB 3.92Å; F51-A243 VanDerWaalsContact CZ-C 3.47Å; F51-A243 HydrophobicContact CZ-CB 3.98Å; F51-A243 WeakPolarHBondContact CZ-O 3.46Å; N241-A243 PolarHBondContact O-N 3.4Å; N241-A243 VanDerWaalsContact O-N 3.13Å; N241-A243 WeakPolarHBondContact OD1-CB 3.44Å; N241-A243 PolarHBondContact OD1-N 3.2Å; A243-L245 VanDerWaalsContact C-N 3.29Å; A243-L245 PolarHBondContact O-N 3.46Å; A243-P246 WeakPolarHBondContact O-CD 3.36Å; A243-F263 HydrophobicContact CB-CE1 3.66Å; A243-F263 HydrophobicContact CB-CZ 3.99Å |
| 244 | L | 98.7 | Very high | 98.2 | Very high | 2 Ų | 2 | 26.4 Ų | 26.4 | 1% | 0.01 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -54.6 | -42.7 | 167.6 | 173.3 | 64.4 | 0 | 0 | 0 | 112.2 | C34 V37 N91 I239 N241 K242 L247 L248 | C34-L244 HydrophobicContact CB-CD1 4.43Å; V37-L244 HydrophobicContact CB-CD1 3.77Å; V37-L244 HydrophobicContact CG1-CD1 3.79Å; V37-L244 HydrophobicContact CG2-CD1 3.85Å; N91-L244 HydrophobicContact CB-CD2 3.79Å; I239-L244 HydrophobicContact CB-CD2 4.3Å; I239-L244 HydrophobicContact CG2-CD1 4.25Å; I239-L244 VanDerWaalsContact O-CD2 3.25Å; I239-L244 WeakPolarHBondContact O-CD2 3.46Å; N241-L244 WeakPolarHBondContact O-CB 2.93Å; N241-L244 PolarHBondContact O-N 3.14Å; K242-L244 PolarHBondContact O-N 3.19Å; K242-L244 VanDerWaalsContact O-N 3.15Å; L244-L247 PolarHBondContact O-N 3.12Å; L244-L248 HydrophobicContact CD1-CD1 3.88Å; L244-L248 HydrophobicContact CD1-CD2 4.32Å; L244-L248 HydrophobicContact CD1-CG 3.77Å; L244-L248 HydrophobicContact CD2-CD1 4.09Å; L244-L248 HydrophobicContact CG-CD1 3.66Å; L244-L248 HydrophobicContact CG-CG 4.02Å; L244-L248 WeakPolarHBondContact O-CG 3.45Å; L244-L248 PolarHBondContact O-N 2.95Å |
| 245 | L | 98.8 | Very high | 98.3 | Very high | 6 Ų | 6 | 27.8 Ų | 27.8 | 3% | 0.031 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -66.9 | -47.3 | -168.2 | -55.6 | 167.5 | 0 | 0 | 0 | 112.6 | L88 L89 K242 A243 L247 L248 W249 A261 I309 | L88-L245 HydrophobicContact CD2-CD2 4.26Å; L88-L245 HydrophobicContact CG-CD2 4.43Å; L89-L245 VanDerWaalsContact O-CD1 3.31Å; L89-L245 WeakPolarHBondContact O-CD1 3.28Å; K242-L245 HydrophobicContact CB-CD1 4.44Å; K242-L245 PolarHBondContact O-N 3.46Å; A243-L245 VanDerWaalsContact C-N 3.29Å; A243-L245 PolarHBondContact O-N 3.46Å; L245-L247 VanDerWaalsContact C-N 3.29Å; L245-L247 PolarHBondContact O-N 2.95Å; L245-L248 PolarHBondContact O-N 3.47Å; L245-W249 PolarHBondContact O-N 3.19Å; L245-A261 HydrophobicContact CB-CB 3.87Å; L245-I309 HydrophobicContact CD1-CD1 4.15Å |
| 246 | P | 98.6 | Very high | 98.3 | Very high | 7 Ų | 7 | 30.4 Ų | 30.4 | 5% | 0.045 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -57.5 | -39.9 | 171.6 | -26.1 | 35.4 | 0 | 0 | 0 | 113.5 | K242 A243 W249 E250 A261 Y262 F263 I309 | K242-P246 WeakPolarHBondContact O-CD 3.46Å; A243-P246 WeakPolarHBondContact O-CD 3.36Å; P246-W249 PolarHBondContact O-N 3.05Å; P246-E250 WeakPolarHBondContact O-CB 3.36Å; P246-E250 PolarHBondContact O-N 3.12Å; P246-A261 WeakPolarHBondContact CA-O 3.31Å; P246-A261 HydrophobicContact CG-CB 4.32Å; P246-Y262 VanDerWaalsContact CG-C 3.49Å; P246-F263 HydrophobicContact CB-CD2 3.89Å; P246-F263 HydrophobicContact CB-CE2 3.78Å; P246-F263 HydrophobicContact CB-CZ 4.34Å; P246-F263 HydrophobicContact CG-CD2 4.23Å; P246-F263 HydrophobicContact CG-CE2 4.25Å; P246-F263 HydrophobicContact CG-CG 4.39Å; P246-F263 HydrophobicContact CG-CZ 4.44Å; P246-I309 HydrophobicContact CG-CB 4.1Å; P246-I309 HydrophobicContact CG-CG2 3.72Å |
| 247 | L | 98.5 | Very high | 98.3 | Very high | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -69.7 | -39.7 | -179.6 | -92.5 | -70.5 | 0 | 0 | 0 | 112.3 | V37 K40 L47 F51 L244 L245 W249 E250 M251 F263 | V37-L247 HydrophobicContact CG1-CB 3.85Å; V37-L247 HydrophobicContact CG1-CG 4.39Å; V37-L247 HydrophobicContact CG2-CB 4.27Å; K40-L247 HydrophobicContact CD-CD1 4.22Å; L47-L247 HydrophobicContact CD1-CD1 4.26Å; L47-L247 HydrophobicContact CD2-CD1 4.05Å; L47-L247 HydrophobicContact CD2-CD2 4.44Å; F51-L247 HydrophobicContact CE2-CD2 3.92Å; F51-L247 HydrophobicContact CE2-CG 3.84Å; F51-L247 HydrophobicContact CZ-CB 4.36Å; F51-L247 HydrophobicContact CZ-CD2 4.41Å; F51-L247 HydrophobicContact CZ-CG 4.08Å; L244-L247 PolarHBondContact O-N 3.12Å; L245-L247 VanDerWaalsContact C-N 3.29Å; L245-L247 PolarHBondContact O-N 2.95Å; L247-W249 VanDerWaalsContact C-N 3.33Å; L247-E250 PolarHBondContact O-N 3.43Å; L247-M251 VanDerWaalsContact O-CB 3.31Å; L247-M251 WeakPolarHBondContact O-CB 3.42Å; L247-M251 WeakPolarHBondContact O-CG 3.23Å; L247-M251 PolarHBondContact O-N 3.38Å; L247-F263 HydrophobicContact CD2-CE2 3.51Å; L247-F263 HydrophobicContact CD2-CZ 3.67Å |
| 248 | L | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -58.6 | -47.1 | 171.5 | -78 | 173.9 | 0 | 0 | 0 | 110.6 | M33 V37 L88 L244 L245 E250 M251 F252 L258 | M33-L248 HydrophobicContact CB-CD2 3.76Å; V37-L248 HydrophobicContact CG2-CD2 3.67Å; V37-L248 HydrophobicContact CG2-CG 3.97Å; L88-L248 HydrophobicContact CD2-CD1 3.69Å; L244-L248 HydrophobicContact CD1-CD1 3.88Å; L244-L248 HydrophobicContact CD1-CD2 4.32Å; L244-L248 HydrophobicContact CD1-CG 3.77Å; L244-L248 HydrophobicContact CD2-CD1 4.09Å; L244-L248 HydrophobicContact CG-CD1 3.66Å; L244-L248 HydrophobicContact CG-CG 4.02Å; L244-L248 WeakPolarHBondContact O-CG 3.45Å; L244-L248 PolarHBondContact O-N 2.95Å; L245-L248 PolarHBondContact O-N 3.47Å; L248-E250 PolarHBondContact O-N 3.45Å; L248-M251 PolarHBondContact O-N 3.03Å; L248-F252 HydrophobicContact CD2-CD2 4.18Å; L248-F252 HydrophobicContact CD2-CE2 4.18Å; L248-F252 WeakPolarHBondContact O-CB 3.34Å; L248-F252 WeakPolarHBondContact O-CD2 3.45Å; L248-F252 PolarHBondContact O-N 3.15Å; L248-L258 HydrophobicContact CB-CD1 3.92Å; L248-L258 HydrophobicContact CB-CD2 4.25Å; L248-L258 HydrophobicContact CD1-CD2 4.21Å |
| 249 | W | 98.6 | Very high | 98.3 | Very high | 35 Ų | 35 | 30.6 Ų | 30.6 | 13% | 0.133 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.6 | -39.6 | 179.3 | -177 | -115.5 | 0 | 0 | 0 | 112.8 | L245 P246 L247 F252 P253 N254 L258 P260 Y262 | L245-W249 PolarHBondContact O-N 3.19Å; P246-W249 PolarHBondContact O-N 3.05Å; L247-W249 VanDerWaalsContact C-N 3.33Å; W249-F252 CarbonylContact O-C 3.58Å; W249-P253 WeakPolarHBondContact O-CA 3.38Å; W249-N254 VanDerWaalsContact CH2-N 3.3Å; W249-N254 VanDerWaalsContact CZ3-N 3.3Å; W249-L258 HydrophobicContact CE3-CB 4.01Å; W249-L258 HydrophobicContact CZ3-CB 4.33Å; W249-P260 HydrophobicContact CD2-CB 4.4Å; W249-P260 HydrophobicContact CH2-CG 3.87Å; W249-P260 HydrophobicContact CZ2-CB 4Å; W249-P260 HydrophobicContact CZ2-CG 3.68Å; W249-P260 HydrophobicContact CZ3-CG 4.43Å; W249-Y262 AromaticContact NE1-CZ 3.81Å; W249-Y262 PolarHBondContact NE1-OH 3.14Å |
| 250 | E | 98.2 | Very high | 98.3 | Very high | 119 Ų | 119 | 31.6 Ų | 31.6 | 56% | 0.556 | 17% | 0.169 | S | C | * | . | H | α-helix | trans | -63.7 | -44.3 | 175 | -173.4 | -162.2 | 124.9 | 0 | 0 | 111.9 | K40 P246 L247 L248 | K40-E250 IonicContact NZ-OE1 2.62Å; K40-E250 PolarHBondContact NZ-OE1 2.89Å; P246-E250 WeakPolarHBondContact O-CB 3.36Å; P246-E250 PolarHBondContact O-N 3.12Å; L247-E250 PolarHBondContact O-N 3.43Å; L248-E250 PolarHBondContact O-N 3.45Å |
| 251 | M | 98.5 | Very high | 98.4 | Very high | 54 Ų | 54 | 30.4 Ų | 30.4 | 27% | 0.266 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -77.5 | -30.4 | -175.6 | -70.7 | 176.8 | 60.6 | 0 | 0 | 113.1 | K36 V37 K40 L247 L248 P253 | K36-M251 HydrophobicContact CB-CE 3.91Å; V37-M251 HydrophobicContact CB-SD 4.47Å; V37-M251 HydrophobicContact CG2-SD 3.77Å; K40-M251 HydrophobicContact CB-CE 4.45Å; K40-M251 HydrophobicContact CB-SD 4.23Å; K40-M251 HydrophobicContact CD-CE 4.22Å; K40-M251 HydrophobicContact CD-CG 4.02Å; K40-M251 HydrophobicContact CD-SD 3.43Å; K40-M251 WeakPolarHBondContact CD-SD 3.19Å; K40-M251 HydrophobicContact CG-SD 4.47Å; L247-M251 VanDerWaalsContact O-CB 3.31Å; L247-M251 WeakPolarHBondContact O-CB 3.42Å; L247-M251 WeakPolarHBondContact O-CG 3.23Å; L247-M251 PolarHBondContact O-N 3.38Å; L248-M251 PolarHBondContact O-N 3.03Å; M251-P253 VanDerWaalsContact C-CD 3.47Å |
| 252 | F | 98.7 | Very high | 98.5 | Very high | 57 Ų | 57 | 33 Ų | 33 | 25% | 0.25 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -130 | 63.8 | -175.5 | -52.2 | -80.8 | 0 | 0 | 0 | 110.4 | M33 K36 L248 W249 N254 H255 L258 | M33-F252 HydrophobicContact CB-CD2 4.18Å; M33-F252 HydrophobicContact CB-CE2 3.73Å; M33-F252 HydrophobicContact CB-CZ 4.05Å; M33-F252 HydrophobicContact CE-CB 3.61Å; M33-F252 HydrophobicContact CE-CD1 4.18Å; M33-F252 HydrophobicContact CE-CD2 3.57Å; M33-F252 HydrophobicContact CE-CE2 4.26Å; M33-F252 HydrophobicContact CE-CG 3.53Å; M33-F252 HydrophobicContact CG-CD1 4.46Å; M33-F252 HydrophobicContact CG-CD2 4.27Å; M33-F252 HydrophobicContact CG-CE1 4.22Å; M33-F252 HydrophobicContact CG-CE2 4.03Å; M33-F252 HydrophobicContact CG-CG 4.49Å; M33-F252 HydrophobicContact CG-CZ 4Å; K36-F252 HydrophobicContact CB-CZ 4.05Å; K36-F252 HydrophobicContact CG-CZ 4.36Å; L248-F252 HydrophobicContact CD2-CD2 4.18Å; L248-F252 HydrophobicContact CD2-CE2 4.18Å; L248-F252 WeakPolarHBondContact O-CB 3.34Å; L248-F252 WeakPolarHBondContact O-CD2 3.45Å; L248-F252 PolarHBondContact O-N 3.15Å; W249-F252 CarbonylContact O-C 3.58Å; F252-N254 PolarHBondContact O-N 3.42Å; F252-H255 HydrophobicContact CB-CB 4.22Å; F252-H255 WeakPolarHBondContact O-CB 3.45Å; F252-H255 PolarHBondContact O-N 2.87Å; F252-L258 HydrophobicContact CB-CD1 4.02Å |
| 253 | P | 97.8 | Very high | 98.5 | Very high | 82 Ų | 82 | 33 Ų | 33 | 53% | 0.532 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | 135.4 | -173.7 | 26.8 | -35.5 | 0 | 0 | 0 | 111.1 | W249 M251 H255 | W249-P253 WeakPolarHBondContact O-CA 3.38Å; M251-P253 VanDerWaalsContact C-CD 3.47Å; P253-H255 PolarHBondContact O-N 2.83Å |
| 254 | N | 97.4 | Very high | 98.4 | Very high | 131 Ų | 131 | 35.1 Ų | 35.1 | 70% | 0.701 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.9 | 18.8 | -179.1 | -46.5 | -66 | 0 | 0 | 0 | 115.3 | W249 F252 | W249-N254 VanDerWaalsContact CH2-N 3.3Å; W249-N254 VanDerWaalsContact CZ3-N 3.3Å; F252-N254 PolarHBondContact O-N 3.42Å |
| 255 | H | 98.6 | Very high | 98.3 | Very high | 29 Ų | 29 | 40.4 Ų | 40.4 | 13% | 0.134 | 21% | 0.213 | C | C | . | . | trans | -57.9 | 133.4 | 173.9 | -167.5 | -86.2 | 0 | 0 | 0 | 111 | E29 M33 F252 P253 N257 L258 | E29-H255 IonicContact OE1-NE2 3.29Å; E29-H255 PolarHBondContact OE1-NE2 2.88Å; E29-H255 IonicContact OE2-CE1 3.76Å; E29-H255 IonicContact OE2-NE2 3.77Å; M33-H255 HydrophobicContact CE-CB 4.26Å; F252-H255 HydrophobicContact CB-CB 4.22Å; F252-H255 WeakPolarHBondContact O-CB 3.45Å; F252-H255 PolarHBondContact O-N 2.87Å; P253-H255 PolarHBondContact O-N 2.83Å; H255-N257 PolarHBondContact CE1-OD1 2.83Å; H255-N257 VanDerWaalsContact CE1-OD1 3.22Å; H255-N257 PolarHBondContact ND1-N 2.95Å; H255-N257 VanDerWaalsContact ND1-N 3.2Å; H255-N257 PolarHBondContact O-N 3.22Å; H255-N257 VanDerWaalsContact O-N 3.14Å; H255-L258 HydrophobicContact CB-CB 4.11Å; H255-L258 HydrophobicContact CB-CD1 3.81Å; H255-L258 HydrophobicContact CB-CG 3.79Å; H255-L258 PolarHBondContact O-N 2.86Å | ||
| 256 | P | 98.3 | Very high | 98.1 | Very high | 64 Ų | 64 | 43.2 Ų | 43.2 | 42% | 0.416 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -28.9 | -174.7 | 19.4 | -32 | 0 | 0 | 0 | 114 | E85 K87 | E85-P256 HydrophobicContact CB-CB 4.29Å; E85-P256 HydrophobicContact CG-CB 3.82Å; K87-P256 WeakPolarHBondContact CD-O 3.47Å; K87-P256 VanDerWaalsContact CE-O 3.28Å; K87-P256 WeakPolarHBondContact CE-O 3.39Å; K87-P256 PolarHBondContact NZ-O 2.88Å |
| 257 | N | 98.8 | Very high | 98 | Very high | 2 Ų | 2 | 50.9 Ų | 50.9 | 1% | 0.011 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | 0.3 | -179.3 | -50.7 | 97.9 | 0 | 0 | 0 | 114.2 | V26 L30 E85 P86 L88 H255 | V26-N257 HydrophobicContact CG1-CB 4.04Å; L30-N257 HydrophobicContact CD1-CB 4.37Å; L30-N257 HydrophobicContact CD2-CB 4Å; L30-N257 HydrophobicContact CG-CB 4.39Å; E85-N257 PolarHBondContact OE2-ND2 2.85Å; P86-N257 VanDerWaalsContact O-CA 3.24Å; P86-N257 WeakPolarHBondContact O-CA 3.43Å; P86-N257 WeakPolarHBondContact O-CB 3.27Å; P86-N257 PolarHBondContact O-ND2 3.31Å; L88-N257 PolarHBondContact N-O 2.67Å; H255-N257 PolarHBondContact CE1-OD1 2.83Å; H255-N257 VanDerWaalsContact CE1-OD1 3.22Å; H255-N257 PolarHBondContact ND1-N 2.95Å; H255-N257 VanDerWaalsContact ND1-N 3.2Å; H255-N257 PolarHBondContact O-N 3.22Å; H255-N257 VanDerWaalsContact O-N 3.14Å |
| 258 | L | 98.8 | Very high | 97.8 | Very high | 7 Ų | 7 | 53.2 Ų | 53.2 | 4% | 0.037 | 28% | 0.279 | C | S | . | . | trans | -100.3 | 161.9 | 176.6 | -61.8 | -175.6 | 0 | 0 | 0 | 112 | L30 M33 K87 L88 L248 W249 F252 H255 | L30-L258 HydrophobicContact CD2-CD2 3.91Å; M33-L258 HydrophobicContact CE-CD1 3.59Å; M33-L258 HydrophobicContact CE-CD2 4.23Å; M33-L258 HydrophobicContact CE-CG 3.96Å; K87-L258 PolarHBondContact NZ-O 2.97Å; L88-L258 HydrophobicContact CB-CD2 4.37Å; L88-L258 HydrophobicContact CD2-CD2 4.1Å; L248-L258 HydrophobicContact CB-CD1 3.92Å; L248-L258 HydrophobicContact CB-CD2 4.25Å; L248-L258 HydrophobicContact CD1-CD2 4.21Å; W249-L258 HydrophobicContact CE3-CB 4.01Å; W249-L258 HydrophobicContact CZ3-CB 4.33Å; F252-L258 HydrophobicContact CB-CD1 4.02Å; H255-L258 HydrophobicContact CB-CB 4.11Å; H255-L258 HydrophobicContact CB-CD1 3.81Å; H255-L258 HydrophobicContact CB-CG 3.79Å; H255-L258 PolarHBondContact O-N 2.86Å | ||
| 259 | L | 98.5 | Very high | 97.6 | Very high | 6 Ų | 6 | 56.7 Ų | 56.7 | 3% | 0.031 | 30% | 0.302 | C | S | . | . | trans | -117.7 | 139.4 | 170.9 | -65.5 | 168.4 | 0 | 0 | 0 | 108.2 | K87 L89 A261 Q311 Q312 H314 | K87-L259 HydrophobicContact CB-CD1 4.3Å; K87-L259 HydrophobicContact CB-CD2 4.43Å; K87-L259 HydrophobicContact CB-CG 4.29Å; K87-L259 HydrophobicContact CD-CD2 4.09Å; K87-L259 HydrophobicContact CD-CG 4.43Å; K87-L259 HydrophobicContact CG-CD2 4.2Å; L89-L259 HydrophobicContact CD2-CD1 3.97Å; L259-A261 PolarHBondContact O-N 3.21Å; L259-A261 VanDerWaalsContact O-N 3.16Å; L259-Q311 HydrophobicContact CB-CG 3.84Å; L259-Q311 HydrophobicContact CD1-CG 4.26Å; L259-Q312 HydrophobicContact CB-CB 4.45Å; L259-H314 HydrophobicContact CD1-CB 3.72Å; L259-H314 HydrophobicContact CD2-CB 3.83Å; L259-H314 HydrophobicContact CG-CB 4.43Å | ||
| 260 | P | 98.4 | Very high | 97.4 | Very high | 23 Ų | 23 | 64.5 Ų | 64.5 | 15% | 0.149 | 34% | 0.34 | C | S | . | . | trans | -47.1 | 122.7 | 169 | -24.4 | 29.8 | 0 | 0 | 0 | 110.9 | W249 Y262 Q311 Q312 | W249-P260 HydrophobicContact CD2-CB 4.4Å; W249-P260 HydrophobicContact CH2-CG 3.87Å; W249-P260 HydrophobicContact CZ2-CB 4Å; W249-P260 HydrophobicContact CZ2-CG 3.68Å; W249-P260 HydrophobicContact CZ3-CG 4.43Å; P260-Y262 HydrophobicContact CB-CE2 4.03Å; P260-Q311 CarbonylContact O-C 3.56Å; P260-Q311 WeakPolarHBondContact O-CA 3.28Å; P260-Q312 HydrophobicContact CB-CB 4.15Å; P260-Q312 HydrophobicContact CG-CB 4.11Å; P260-Q312 PolarHBondContact O-N 2.77Å | ||
| 261 | A | 98.6 | Very high | 97.2 | Very high | 1 Ų | 1 | 60.4 Ų | 60.4 | 1% | 0.008 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 145 | -180 | 0 | 0 | 0 | 0 | 0 | 109.9 | L245 P246 L259 V310 Q311 | L245-A261 HydrophobicContact CB-CB 3.87Å; P246-A261 WeakPolarHBondContact CA-O 3.31Å; P246-A261 HydrophobicContact CG-CB 4.32Å; L259-A261 PolarHBondContact O-N 3.21Å; L259-A261 VanDerWaalsContact O-N 3.16Å; A261-V310 CarbonylContact C-O 3.57Å; A261-V310 WeakPolarHBondContact CA-O 2.85Å; A261-Q311 HydrophobicContact CB-CB 4.3Å; A261-Q311 HydrophobicContact CB-CG 4.23Å |
| 262 | Y | 98.4 | Very high | 97.1 | Very high | 59 Ų | 59 | 65.3 Ų | 65.3 | 23% | 0.231 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 153 | -176.1 | -53.7 | -85.4 | 0 | 0 | 0 | 109.6 | P246 W249 P260 H268 M271 I309 V310 | P246-Y262 VanDerWaalsContact CG-C 3.49Å; W249-Y262 AromaticContact NE1-CZ 3.81Å; W249-Y262 PolarHBondContact NE1-OH 3.14Å; P260-Y262 HydrophobicContact CB-CE2 4.03Å; Y262-H268 HydrophobicContact CD1-CB 3.79Å; Y262-H268 HydrophobicContact CD2-CB 3.83Å; Y262-H268 HydrophobicContact CE1-CB 4.47Å; Y262-H268 HydrophobicContact CG-CB 3.43Å; Y262-H268 VanDerWaalsContact CG-CB 3.43Å; Y262-M271 HydrophobicContact CD2-CE 4.26Å; Y262-I309 CarbonylContact O-C 3.52Å; Y262-I309 WeakPolarHBondContact O-CA 3.3Å; Y262-I309 WeakPolarHBondContact O-CB 3.48Å; Y262-V310 HydrophobicContact CD2-CG2 4.4Å; Y262-V310 PolarHBondContact N-O 3.18Å; Y262-V310 PolarHBondContact O-N 3.29Å |
| 263 | F | 98.2 | Very high | 97 | Very high | 9 Ų | 9 | 65.5 Ų | 65.5 | 4% | 0.039 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 135.2 | 165.5 | -67.2 | -83.6 | 0 | 0 | 0 | 108.7 | K50 A243 P246 L247 E265 D266 I309 | K50-F263 HydrophobicContact CB-CE1 4.26Å; K50-F263 HydrophobicContact CB-CZ 4.05Å; K50-F263 HydrophobicContact CD-CD2 4.2Å; K50-F263 HydrophobicContact CD-CE2 3.85Å; K50-F263 HydrophobicContact CD-CZ 4.06Å; A243-F263 HydrophobicContact CB-CE1 3.66Å; A243-F263 HydrophobicContact CB-CZ 3.99Å; P246-F263 HydrophobicContact CB-CD2 3.89Å; P246-F263 HydrophobicContact CB-CE2 3.78Å; P246-F263 HydrophobicContact CB-CZ 4.34Å; P246-F263 HydrophobicContact CG-CD2 4.23Å; P246-F263 HydrophobicContact CG-CE2 4.25Å; P246-F263 HydrophobicContact CG-CG 4.39Å; P246-F263 HydrophobicContact CG-CZ 4.44Å; L247-F263 HydrophobicContact CD2-CE2 3.51Å; L247-F263 HydrophobicContact CD2-CZ 3.67Å; F263-E265 HydrophobicContact CB-CG 4.26Å; F263-E265 PolarHBondContact O-N 3.25Å; F263-D266 HydrophobicContact CB-CB 4.26Å; F263-D266 WeakPolarHBondContact CB-OD2 3.44Å; F263-D266 PolarHBondContact O-N 2.71Å; F263-I309 HydrophobicContact CD1-CG2 4.2Å |
| 264 | A | 97.2 | Very high | 97 | Very high | 44 Ų | 44 | 63.9 Ų | 63.9 | 36% | 0.364 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -20 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | M308 V310 | A264-M308 HydrophobicContact CB-CB 3.85Å; A264-M308 VanDerWaalsContact CB-O 3.26Å; A264-M308 WeakPolarHBondContact CB-O 3.33Å; A264-M308 PolarHBondContact N-O 2.73Å; A264-V310 HydrophobicContact CB-CG1 4.13Å |
| 265 | E | 95.5 | Very high | 97.1 | Very high | 112 Ų | 112 | 58.4 Ų | 58.4 | 52% | 0.523 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -14.7 | 177.9 | 64.7 | -167.5 | -165.5 | 0 | 0 | 113.9 | R52 F263 | R52-E265 IonicContact CZ-OE1 3.78Å; R52-E265 IonicContact NH1-OE1 3.52Å; R52-E265 IonicContact NH2-OE1 3.25Å; R52-E265 PolarHBondContact NH2-OE1 2.87Å; R52-E265 IonicContact NH2-OE2 3.03Å; R52-E265 PolarHBondContact NH2-OE2 3.25Å; F263-E265 HydrophobicContact CB-CG 4.26Å; F263-E265 PolarHBondContact O-N 3.25Å |
| 266 | D | 96.1 | Very high | 97 | Very high | 65 Ų | 65 | 58.3 Ų | 58.3 | 35% | 0.348 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -91.8 | 159.4 | 179.2 | -69.9 | -27.3 | 0 | 0 | 0 | 110.8 | K50 F263 H268 | K50-D266 IonicContact NZ-OD1 3.99Å; K50-D266 IonicContact NZ-OD2 2.91Å; K50-D266 PolarHBondContact NZ-OD2 2.63Å; F263-D266 HydrophobicContact CB-CB 4.26Å; F263-D266 WeakPolarHBondContact CB-OD2 3.44Å; F263-D266 PolarHBondContact O-N 2.71Å; D266-H268 PolarHBondContact O-CD2 2.88Å; D266-H268 PolarHBondContact O-N 3.05Å |
| 267 | D | 94.9 | Very high | 97 | Very high | 169 Ų | 169 | 56 Ų | 56 | 90% | 0.904 | 28% | 0.283 | S | S | * | . | trans | -69.2 | 129.2 | 169.4 | -170.7 | 27.8 | 0 | 0 | 0 | 109.8 | ||||
| 268 | H | 95.4 | Very high | 97 | Very high | 50 Ų | 50 | 55.9 Ų | 55.9 | 23% | 0.231 | 28% | 0.283 | C | S | . | . | trans | -141.9 | 155.8 | -178.1 | 66 | 73.9 | 0 | 0 | 0 | 111.4 | Y262 D266 | Y262-H268 HydrophobicContact CD1-CB 3.79Å; Y262-H268 HydrophobicContact CD2-CB 3.83Å; Y262-H268 HydrophobicContact CE1-CB 4.47Å; Y262-H268 HydrophobicContact CG-CB 3.43Å; Y262-H268 VanDerWaalsContact CG-CB 3.43Å; D266-H268 PolarHBondContact O-CD2 2.88Å; D266-H268 PolarHBondContact O-N 3.05Å | ||
| 269 | P | 95.2 | Very high | 96.9 | Very high | 72 Ų | 72 | 55.6 Ų | 55.6 | 47% | 0.468 | 28% | 0.281 | S | S | . | . | trans | -54.1 | 146.4 | 176.2 | -25.6 | 35.2 | 0 | 0 | 0 | 112.3 | M271 | P269-M271 PolarHBondContact O-N 2.76Š| ||
| 270 | Q | 93.5 | Very high | 96.8 | Very high | 200 Ų | 200 | 55.9 Ų | 55.9 | 94% | 0.935 | 28% | 0.282 | S | S | * | . | trans | -64.1 | 131.3 | 171.6 | -70.8 | -172.5 | -7 | 0 | 0 | 109.9 | ||||
| 271 | M | 94.9 | Very high | 96.6 | Very high | 32 Ų | 32 | 55.3 Ų | 55.3 | 16% | 0.158 | 28% | 0.279 | C | S | . | . | trans | -116.6 | 131.2 | 175.8 | -66.9 | -177.4 | -76.5 | 0 | 0 | 109 | Y262 P269 Y274 V310 Q312 | Y262-M271 HydrophobicContact CD2-CE 4.26Å; P269-M271 PolarHBondContact O-N 2.76Å; M271-Y274 HydrophobicContact CB-CD1 3.75Å; M271-Y274 HydrophobicContact CB-CG 4.24Å; M271-Y274 HydrophobicContact CE-CG 4.09Å; M271-Y274 WeakPolarHBondContact O-CD1 3.28Å; M271-V310 HydrophobicContact CE-CB 3.8Å; M271-V310 HydrophobicContact CE-CG2 3.51Å; M271-Q312 HydrophobicContact SD-CB 4.33Å | ||
| 272 | E | 95.1 | Very high | 96.2 | Very high | 157 Ų | 157 | 57.5 Ų | 57.5 | 73% | 0.734 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -68.7 | -39.4 | 177.1 | -65.8 | -178.4 | 170.2 | 0 | 0 | 111.5 | E291 N292 | E272-E291 CarbonylContact O-C 3.53Å; E272-E291 WeakPolarHBondContact O-CA 3.47Å; E272-N292 PolarHBondContact O-N 3.04Å |
| 273 | K | 97.8 | Very high | 95.7 | Very high | 61 Ų | 61 | 58.4 Ų | 58.4 | 27% | 0.265 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 125.1 | 177.9 | -163 | 177.6 | -172.4 | 153.1 | 0 | 111.2 | I290 E291 F313 | K273-I290 CarbonylContact C-O 3.52Å; K273-I290 VanDerWaalsContact CA-O 3.27Å; K273-I290 WeakPolarHBondContact CA-O 3.37Å; K273-E291 HydrophobicContact CB-CG 4.38Å; K273-E291 HydrophobicContact CD-CB 4.44Å; K273-E291 HydrophobicContact CD-CG 4.17Å; K273-E291 VanDerWaalsContact CD-OE1 3.26Å; K273-E291 WeakPolarHBondContact CD-OE1 3.32Å; K273-E291 VanDerWaalsContact CE-OE1 3.29Å; K273-E291 WeakPolarHBondContact CE-OE1 3.33Å; K273-E291 HydrophobicContact CG-CB 4.05Å; K273-E291 HydrophobicContact CG-CG 4.1Å; K273-E291 IonicContact NZ-OE1 3.83Å; K273-E291 PolarHBondContact NZ-OE1 2.88Å; K273-F313 HydrophobicContact CB-CB 4.17Å; K273-F313 HydrophobicContact CD-CB 4.16Å; K273-F313 HydrophobicContact CD-CD1 3.49Å; K273-F313 VanDerWaalsContact CD-CD1 3.49Å; K273-F313 HydrophobicContact CD-CE1 4Å; K273-F313 HydrophobicContact CD-CG 3.83Å; K273-F313 HydrophobicContact CG-CB 3.7Å; K273-F313 HydrophobicContact CG-CD1 4.02Å; K273-F313 HydrophobicContact CG-CG 3.86Å; K273-F313 PolarHBondContact O-N 2.89Å |
| 274 | Y | 98.1 | Very high | 95.3 | Very high | 49 Ų | 49 | 58.4 Ų | 58.4 | 19% | 0.192 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 164.6 | -175.3 | 61.6 | -86.4 | 0 | 0 | 0 | 111.6 | M271 V276 I290 V310 Q311 | M271-Y274 HydrophobicContact CB-CD1 3.75Å; M271-Y274 HydrophobicContact CB-CG 4.24Å; M271-Y274 HydrophobicContact CE-CG 4.09Å; M271-Y274 WeakPolarHBondContact O-CD1 3.28Å; Y274-V276 HydrophobicContact CD2-CG2 4.07Å; Y274-V276 HydrophobicContact CE2-CG2 3.71Å; Y274-I290 HydrophobicContact CD1-CB 4.28Å; Y274-I290 HydrophobicContact CD2-CB 4.22Å; Y274-I290 HydrophobicContact CD2-CG1 4.27Å; Y274-I290 HydrophobicContact CE1-CB 3.87Å; Y274-I290 HydrophobicContact CE1-CG2 3.83Å; Y274-I290 HydrophobicContact CE2-CB 3.81Å; Y274-I290 HydrophobicContact CE2-CG1 3.68Å; Y274-I290 HydrophobicContact CE2-CG2 4.34Å; Y274-I290 HydrophobicContact CG-CB 4.45Å; Y274-I290 PolarHBondContact N-O 3.04Å; Y274-I290 PolarHBondContact O-N 3.14Å; Y274-V310 HydrophobicContact CD2-CB 4.07Å; Y274-V310 HydrophobicContact CD2-CG1 3.97Å; Y274-V310 HydrophobicContact CE2-CG1 3.99Å; Y274-Q311 CarbonylContact C-O 3.57Å; Y274-Q311 VanDerWaalsContact CA-O 3.3Å; Y274-Q311 WeakPolarHBondContact CA-O 3.46Å; Y274-Q311 VanDerWaalsContact CB-O 3.31Å; Y274-Q311 WeakPolarHBondContact CB-O 3.47Å |
| 275 | V | 98.2 | Very high | 95.1 | Very high | 16 Ų | 16 | 57.1 Ų | 57.1 | 10% | 0.097 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 131.5 | 176.4 | -171.9 | 0 | 0 | 0 | 0 | 108.3 | K277 V287 S288 I289 V310 Q311 F313 | V275-K277 HydrophobicContact CG1-CD 4.34Å; V275-K277 HydrophobicContact CG1-CG 3.72Å; V275-V287 HydrophobicContact CG1-CG1 3.38Å; V275-S288 CarbonylContact C-O 3.53Å; V275-S288 VanDerWaalsContact CA-O 3.31Å; V275-S288 WeakPolarHBondContact CA-O 3.34Å; V275-S288 WeakPolarHBondContact CG1-O 3.46Å; V275-I289 HydrophobicContact CG2-CG1 4.36Å; V275-V310 CarbonylContact O-C 3.55Å; V275-V310 WeakPolarHBondContact O-CA 3.27Å; V275-Q311 PolarHBondContact N-O 2.77Å; V275-Q311 PolarHBondContact O-N 2.89Å; V275-F313 HydrophobicContact CG2-CB 4.32Å; V275-F313 HydrophobicContact CG2-CD2 3.82Å |
| 276 | V | 98.1 | Very high | 95.2 | Very high | 26 Ų | 26 | 53.7 Ų | 53.7 | 16% | 0.158 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 126.1 | 168.5 | -174.3 | 0 | 0 | 0 | 0 | 107.5 | Y274 V287 S288 I290 M308 I309 V310 | Y274-V276 HydrophobicContact CD2-CG2 4.07Å; Y274-V276 HydrophobicContact CE2-CG2 3.71Å; V276-V287 WeakPolarHBondContact O-CA 3.49Å; V276-S288 PolarHBondContact N-O 3.1Å; V276-S288 PolarHBondContact O-N 2.99Å; V276-I290 HydrophobicContact CG2-CG1 3.89Å; V276-M308 HydrophobicContact CG1-CB 3.83Å; V276-M308 HydrophobicContact CG1-CG 3.98Å; V276-M308 HydrophobicContact CG1-SD 4.12Å; V276-I309 WeakPolarHBondContact CA-O 3.23Å; V276-V310 HydrophobicContact CG2-CG1 4.25Å |
| 277 | K | 98.1 | Very high | 95.2 | Very high | 15 Ų | 15 | 51.1 Ų | 51.1 | 7% | 0.065 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 134.2 | 179.8 | -53 | -178.3 | 176.5 | 174 | 0 | 109.9 | L89 K242 V275 V287 M308 I309 | L89-K277 PolarHBondContact O-NZ 3.4Å; K242-K277 HydrophobicContact CD-CB 3.56Å; K242-K277 HydrophobicContact CD-CD 3.85Å; K242-K277 HydrophobicContact CD-CG 4.31Å; V275-K277 HydrophobicContact CG1-CD 4.34Å; V275-K277 HydrophobicContact CG1-CG 3.72Å; K277-V287 HydrophobicContact CB-CG2 4.47Å; K277-V287 HydrophobicContact CG-CG1 4.34Å; K277-V287 HydrophobicContact CG-CG2 4.18Å; K277-M308 CarbonylContact O-C 3.54Å; K277-M308 VanDerWaalsContact O-CA 3.31Å; K277-M308 WeakPolarHBondContact O-CA 3.48Å; K277-I309 HydrophobicContact CB-CD1 3.96Å; K277-I309 HydrophobicContact CB-CG1 4.17Å; K277-I309 HydrophobicContact CD-CD1 4.18Å; K277-I309 HydrophobicContact CG-CD1 4.19Å; K277-I309 PolarHBondContact N-O 2.64Å; K277-I309 PolarHBondContact O-N 2.62Å |
| 278 | P | 98.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.1 | 142.4 | 170.3 | -21.5 | 30.3 | 0 | 0 | 0 | 112.3 | K242 F280 S281 N286 M308 | K242-P278 WeakPolarHBondContact CD-O 3.32Å; P278-F280 WeakPolarHBondContact CB-O 3.34Å; P278-F280 PolarHBondContact O-N 3.07Å; P278-S281 PolarHBondContact O-OG 2.86Å; P278-S281 VanDerWaalsContact O-OG 3.06Å; P278-N286 HydrophobicContact CG-CB 3.57Å; P278-M308 WeakPolarHBondContact CA-SD 3.46Å; P278-M308 HydrophobicContact CB-CE 4.41Å; P278-M308 HydrophobicContact CB-SD 3.83Å; P278-M308 HydrophobicContact CG-CE 4.1Å; P278-M308 HydrophobicContact CG-SD 3.71Å; P278-M308 VanDerWaalsContact N-SD 3.36Å |
| 279 | I | 97.6 | Very high | 95.4 | Very high | 2 Ų | 2 | 41.9 Ų | 41.9 | 1% | 0.01 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -50.8 | -46.7 | 175.9 | -75.6 | 177.1 | 0 | 0 | 0 | 110.8 | R52 N241 K242 G307 I309 | R52-I279 HydrophobicContact CG-CD1 4.03Å; R52-I279 HydrophobicContact CG-CG2 4.01Å; N241-I279 WeakPolarHBondContact ND2-CG2 3.33Å; N241-I279 WeakPolarHBondContact OD1-CG2 3.49Å; N241-I279 PolarHBondContact OD1-O 3.37Å; N241-I279 VanDerWaalsContact OD1-O 3.06Å; K242-I279 PolarHBondContact N-O 2.99Å; I279-G307 WeakPolarHBondContact CG1-O 3.31Å; I279-G307 PolarHBondContact N-O 3.11Å; I279-I309 HydrophobicContact CG1-CG2 4.33Å |
| 280 | F | 96.5 | Very high | 95.6 | Very high | 12 Ų | 12 | 39.1 Ų | 39.1 | 5% | 0.053 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -106.2 | 125 | 166.7 | -54.6 | -52.4 | 0 | 0 | 0 | 109.3 | R52 E212 N241 P278 Y303 E306 | R52-F280 HydrophobicContact CB-CE2 3.84Å; R52-F280 HydrophobicContact CB-CZ 3.79Å; E212-F280 HydrophobicContact CB-CD1 3.7Å; E212-F280 HydrophobicContact CB-CD2 4.14Å; E212-F280 HydrophobicContact CB-CE1 3.83Å; E212-F280 HydrophobicContact CB-CE2 4.3Å; E212-F280 HydrophobicContact CB-CG 3.85Å; E212-F280 HydrophobicContact CB-CZ 4.15Å; E212-F280 HydrophobicContact CG-CB 4.26Å; E212-F280 HydrophobicContact CG-CD1 4.24Å; E212-F280 HydrophobicContact CG-CG 4.15Å; N241-F280 HydrophobicContact CB-CE1 4.23Å; N241-F280 WeakPolarHBondContact ND2-CE1 3.45Å; P278-F280 WeakPolarHBondContact CB-O 3.34Å; P278-F280 PolarHBondContact O-N 3.07Å; F280-Y303 HydrophobicContact CB-CD1 4.16Å; F280-Y303 HydrophobicContact CB-CE1 4.34Å; F280-Y303 VanDerWaalsContact O-CB 3.26Å; F280-Y303 WeakPolarHBondContact O-CB 3.46Å; F280-Y303 WeakPolarHBondContact O-CD1 3.47Å; F280-Y303 VanDerWaalsContact O-CG 3.26Å; F280-E306 HydrophobicContact CD2-CB 3.99Å; F280-E306 HydrophobicContact CD2-CG 3.71Å; F280-E306 HydrophobicContact CE2-CB 4.01Å; F280-E306 HydrophobicContact CE2-CG 3.74Å |
| 281 | S | 93.5 | Very high | 95.8 | Very high | 10 Ų | 10 | 33 Ų | 33 | 7% | 0.07 | 16% | 0.164 | C | C | . | . | trans | -168.8 | 157.3 | 173 | 43.3 | 0 | 0 | 0 | 0 | 109.1 | K242 P278 A285 | K242-S281 WeakPolarHBondContact CE-OG 3.34Å; K242-S281 PolarHBondContact NZ-O 2.96Å; K242-S281 PolarHBondContact NZ-OG 3.15Å; P278-S281 PolarHBondContact O-OG 2.86Å; P278-S281 VanDerWaalsContact O-OG 3.06Å; S281-A285 WeakPolarHBondContact CB-O 3.45Å | ||
| 282 | R | 90.8 | Very high | 95.8 | Very high | 47 Ų | 47 | 37.2 Ų | 37.2 | 18% | 0.177 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -135.4 | 151.5 | -178.2 | -62.2 | 174.3 | 175.3 | -83.7 | -11.9 | 108.8 | D94 T95 P210 E212 G284 A285 Y303 | D94-R282 IonicContact OD2-NH2 3.9Å; T95-R282 PolarHBondContact OG1-NH1 3.49Å; T95-R282 PolarHBondContact OG1-NH2 3.38Å; P210-R282 VanDerWaalsContact CB-NH2 3.27Å; P210-R282 VanDerWaalsContact CG-CZ 3.4Å; P210-R282 VanDerWaalsContact CG-NE 3.33Å; E212-R282 IonicContact OE1-CZ 3.25Å; E212-R282 IonicContact OE1-NE 2.77Å; E212-R282 PolarHBondContact OE1-NE 3.32Å; E212-R282 IonicContact OE1-NH2 3.02Å; E212-R282 PolarHBondContact OE1-NH2 3.14Å; E212-R282 IonicContact OE2-NH2 3.43Å; E212-R282 PolarHBondContact OE2-NH2 2.96Å; R282-G284 PolarHBondContact O-N 2.85Å; R282-A285 WeakPolarHBondContact O-CB 3.26Å; R282-A285 PolarHBondContact O-N 3Å; R282-Y303 HydrophobicContact CB-CE2 4.45Å; R282-Y303 VanDerWaalsContact CD-OH 3.31Å; R282-Y303 WeakPolarHBondContact CD-OH 3.4Å |
| 283 | E | 87.1 | Confident | 95.7 | Very high | 79 Ų | 79 | 32.9 Ų | 32.9 | 37% | 0.369 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.5 | 38.9 | 170.7 | -66.9 | 147.1 | -144.2 | 0 | 0 | 114.6 | A285 D350 | E283-A285 PolarHBondContact O-N 3.47Å; E283-D350 HydrophobicContact CB-CB 4.1Å; E283-D350 HydrophobicContact CG-CB 4.06Å; E283-D350 WeakPolarHBondContact OE2-CB 3.48Å; E283-D350 VanDerWaalsContact OE2-CG 3.32Å |
| 284 | G | 90 | Very high | 95.6 | Very high | 9 Ų | 9 | 37.4 Ų | 37.4 | 9% | 0.093 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.9 | 3.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | R282 N286 V287 A299 | R282-G284 PolarHBondContact O-N 2.85Å; G284-N286 PolarHBondContact O-N 3.34Å; G284-V287 VanDerWaalsContact O-CB 3.26Å; G284-V287 WeakPolarHBondContact O-CB 3.42Å; G284-V287 WeakPolarHBondContact O-CG2 3.28Å; G284-V287 PolarHBondContact O-N 3.28Å; G284-V287 VanDerWaalsContact O-N 3.13Å; G284-A299 VanDerWaalsContact O-CB 3.31Å; G284-A299 WeakPolarHBondContact O-CB 3.38Å |
| 285 | A | 93.6 | Very high | 95.5 | Very high | 16 Ų | 16 | 39.3 Ų | 39.3 | 13% | 0.132 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | 131.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | S281 R282 E283 V287 Y303 | S281-A285 WeakPolarHBondContact CB-O 3.45Å; R282-A285 WeakPolarHBondContact O-CB 3.26Å; R282-A285 PolarHBondContact O-N 3Å; E283-A285 PolarHBondContact O-N 3.47Å; A285-V287 PolarHBondContact O-N 3.33Å; A285-V287 VanDerWaalsContact O-N 3.09Å; A285-Y303 HydrophobicContact CB-CD2 3.64Å; A285-Y303 HydrophobicContact CB-CE2 4.01Å |
| 286 | N | 96.2 | Very high | 95.4 | Very high | 40 Ų | 40 | 41.7 Ų | 41.7 | 21% | 0.214 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.1 | 16.1 | -177.6 | -52.2 | 90.2 | 0 | 0 | 0 | 115.3 | P278 G284 A299 E300 G301 Y303 | P278-N286 HydrophobicContact CG-CB 3.57Å; G284-N286 PolarHBondContact O-N 3.34Å; N286-A299 VanDerWaalsContact CA-O 3.3Å; N286-A299 WeakPolarHBondContact CA-O 3.4Å; N286-A299 PolarHBondContact N-O 2.92Å; N286-E300 PolarHBondContact N-O 3.37Å; N286-G301 VanDerWaalsContact CG-C 3.49Å; N286-G301 VanDerWaalsContact ND2-C 3.34Å; N286-G301 PolarHBondContact ND2-N 3.17Å; N286-G301 PolarHBondContact ND2-O 3.2Å; N286-G301 WeakPolarHBondContact OD1-CA 3.43Å; N286-G301 PolarHBondContact OD1-O 3.41Å; N286-Y303 PolarHBondContact ND2-O 2.85Å; N286-Y303 WeakPolarHBondContact OD1-CA 3.38Å; N286-Y303 WeakPolarHBondContact OD1-CB 3.44Å; N286-Y303 PolarHBondContact OD1-N 3.38Å; N286-Y303 PolarHBondContact OD1-O 3.04Å |
| 287 | V | 97 | Very high | 95.3 | Very high | 11 Ų | 11 | 43.5 Ų | 43.5 | 7% | 0.067 | 24% | 0.239 | C | C | . | . | trans | -73.8 | 139.8 | 171.8 | 175.6 | 0 | 0 | 0 | 0 | 109.3 | V275 V276 K277 G284 A285 A298 A299 I347 | V275-V287 HydrophobicContact CG1-CG1 3.38Å; V276-V287 WeakPolarHBondContact O-CA 3.49Å; K277-V287 HydrophobicContact CB-CG2 4.47Å; K277-V287 HydrophobicContact CG-CG1 4.34Å; K277-V287 HydrophobicContact CG-CG2 4.18Å; G284-V287 VanDerWaalsContact O-CB 3.26Å; G284-V287 WeakPolarHBondContact O-CB 3.42Å; G284-V287 WeakPolarHBondContact O-CG2 3.28Å; G284-V287 PolarHBondContact O-N 3.28Å; G284-V287 VanDerWaalsContact O-N 3.13Å; A285-V287 PolarHBondContact O-N 3.33Å; A285-V287 VanDerWaalsContact O-N 3.09Å; V287-A298 WeakPolarHBondContact O-CA 3.13Å; V287-A299 PolarHBondContact O-N 2.89Å; V287-I347 HydrophobicContact CB-CD1 4.09Å; V287-I347 HydrophobicContact CB-CG2 4.15Å; V287-I347 HydrophobicContact CG1-CD1 3.92Å; V287-I347 HydrophobicContact CG1-CG1 4.16Å; V287-I347 HydrophobicContact CG1-CG2 4.34Å; V287-I347 WeakPolarHBondContact O-CD1 3.28Å | ||
| 288 | S | 97.5 | Very high | 95.1 | Very high | 22 Ų | 22 | 46 Ų | 46 | 15% | 0.154 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 147.3 | 172 | 59.4 | 0 | 0 | 0 | 0 | 111.9 | V275 V276 E297 | V275-S288 CarbonylContact C-O 3.53Å; V275-S288 VanDerWaalsContact CA-O 3.31Å; V275-S288 WeakPolarHBondContact CA-O 3.34Å; V275-S288 WeakPolarHBondContact CG1-O 3.46Å; V276-S288 PolarHBondContact N-O 3.1Å; V276-S288 PolarHBondContact O-N 2.99Å; S288-E297 CarbonylContact C-O 3.52Å; S288-E297 VanDerWaalsContact CA-O 3.29Å; S288-E297 WeakPolarHBondContact CA-O 3.32Å; S288-E297 WeakPolarHBondContact CB-O 3.45Å |
| 289 | I | 97.6 | Very high | 95 | Very high | 4 Ų | 4 | 46.8 Ų | 46.8 | 2% | 0.021 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 124.8 | 176.4 | -54.5 | 168.8 | 0 | 0 | 0 | 107.9 | V275 T295 I296 E297 F313 L346 I347 | V275-I289 HydrophobicContact CG2-CG1 4.36Å; I289-T295 CarbonylContact O-C 3.54Å; I289-T295 WeakPolarHBondContact O-CA 3.23Å; I289-I296 HydrophobicContact CB-CD1 4.29Å; I289-I296 HydrophobicContact CB-CG1 3.81Å; I289-I296 HydrophobicContact CG2-CD1 3.64Å; I289-I296 HydrophobicContact CG2-CG1 3.66Å; I289-I296 WeakPolarHBondContact O-CG1 3.45Å; I289-I296 PolarHBondContact O-N 3.4Å; I289-E297 HydrophobicContact CB-CB 4.25Å; I289-E297 HydrophobicContact CD1-CB 4Å; I289-E297 HydrophobicContact CD1-CG 4.49Å; I289-E297 HydrophobicContact CG1-CB 4.29Å; I289-E297 PolarHBondContact N-O 3.5Å; I289-F313 HydrophobicContact CD1-CD2 4.42Å; I289-F313 HydrophobicContact CD1-CE2 3.89Å; I289-F313 HydrophobicContact CG1-CD2 4.46Å; I289-F313 HydrophobicContact CG1-CE2 4.41Å; I289-F313 HydrophobicContact CG2-CD2 3.66Å; I289-F313 HydrophobicContact CG2-CE2 3.94Å; I289-F313 HydrophobicContact CG2-CG 4.47Å; I289-L346 HydrophobicContact CD1-CB 3.59Å; I289-L346 HydrophobicContact CD1-CD1 4.05Å; I289-L346 HydrophobicContact CD1-CG 4.45Å; I289-I347 HydrophobicContact CD1-CG1 4.12Å; I289-I347 HydrophobicContact CG1-CG1 4.43Å |
| 290 | I | 97.7 | Very high | 94.8 | Very high | 13 Ų | 13 | 55.5 Ų | 55.5 | 7% | 0.067 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 131 | 179.7 | -47.6 | -57.4 | 0 | 0 | 0 | 108.8 | K273 Y274 V276 K294 T295 | K273-I290 CarbonylContact C-O 3.52Å; K273-I290 VanDerWaalsContact CA-O 3.27Å; K273-I290 WeakPolarHBondContact CA-O 3.37Å; Y274-I290 HydrophobicContact CD1-CB 4.28Å; Y274-I290 HydrophobicContact CD2-CB 4.22Å; Y274-I290 HydrophobicContact CD2-CG1 4.27Å; Y274-I290 HydrophobicContact CE1-CB 3.87Å; Y274-I290 HydrophobicContact CE1-CG2 3.83Å; Y274-I290 HydrophobicContact CE2-CB 3.81Å; Y274-I290 HydrophobicContact CE2-CG1 3.68Å; Y274-I290 HydrophobicContact CE2-CG2 4.34Å; Y274-I290 HydrophobicContact CG-CB 4.45Å; Y274-I290 PolarHBondContact N-O 3.04Å; Y274-I290 PolarHBondContact O-N 3.14Å; V276-I290 HydrophobicContact CG2-CG1 3.89Å; I290-K294 CarbonylContact C-O 3.51Å; I290-K294 WeakPolarHBondContact CA-O 3.21Å; I290-T295 HydrophobicContact CD1-CG2 4.19Å; I290-T295 VanDerWaalsContact CD1-OG1 3.28Å; I290-T295 WeakPolarHBondContact CD1-OG1 3.26Å |
| 291 | E | 97.7 | Very high | 94.6 | Very high | 73 Ų | 73 | 56.8 Ų | 56.8 | 34% | 0.341 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 121.8 | 173.1 | -171.2 | 176.3 | -108.8 | 0 | 0 | 108.9 | E272 K273 G293 K294 I296 | E272-E291 CarbonylContact O-C 3.53Å; E272-E291 WeakPolarHBondContact O-CA 3.47Å; K273-E291 HydrophobicContact CB-CG 4.38Å; K273-E291 HydrophobicContact CD-CB 4.44Å; K273-E291 HydrophobicContact CD-CG 4.17Å; K273-E291 VanDerWaalsContact CD-OE1 3.26Å; K273-E291 WeakPolarHBondContact CD-OE1 3.32Å; K273-E291 VanDerWaalsContact CE-OE1 3.29Å; K273-E291 WeakPolarHBondContact CE-OE1 3.33Å; K273-E291 HydrophobicContact CG-CB 4.05Å; K273-E291 HydrophobicContact CG-CG 4.1Å; K273-E291 IonicContact NZ-OE1 3.83Å; K273-E291 PolarHBondContact NZ-OE1 2.88Å; E291-G293 PolarHBondContact O-N 2.91Å; E291-K294 PolarHBondContact N-O 2.8Å; E291-K294 PolarHBondContact O-N 3.47Å; E291-I296 HydrophobicContact CB-CD1 4.19Å; E291-I296 HydrophobicContact CB-CG2 3.87Å |
| 292 | N | 95.2 | Very high | 94.7 | Very high | 119 Ų | 119 | 61.6 Ų | 61.6 | 64% | 0.636 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.5 | 41.4 | -178.2 | -60.8 | -53.7 | 0 | 0 | 0 | 113.2 | E272 K294 | E272-N292 PolarHBondContact O-N 3.04Å; N292-K294 PolarHBondContact O-N 3.45Å |
| 293 | G | 93.2 | Very high | 94.9 | Very high | 66 Ų | 66 | 61.1 Ų | 61.1 | 68% | 0.68 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.7 | 7.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115 | E291 | E291-G293 PolarHBondContact O-N 2.91Š|
| 294 | K | 96.2 | Very high | 95.3 | Very high | 156 Ų | 156 | 58.2 Ų | 58.2 | 68% | 0.678 | 35% | 0.347 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 132 | 176.2 | -62.2 | -179.4 | -178.2 | 177.6 | 0 | 110.3 | I290 E291 N292 I296 | I290-K294 CarbonylContact C-O 3.51Å; I290-K294 WeakPolarHBondContact CA-O 3.21Å; E291-K294 PolarHBondContact N-O 2.8Å; E291-K294 PolarHBondContact O-N 3.47Å; N292-K294 PolarHBondContact O-N 3.45Å; K294-I296 PolarHBondContact O-N 2.85Å |
| 295 | T | 96.9 | Very high | 95.5 | Very high | 89 Ų | 89 | 66.7 Ų | 66.7 | 55% | 0.546 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 120.4 | 168.7 | -51.7 | 0 | 0 | 0 | 0 | 109.2 | I289 I290 E297 A298 | I289-T295 CarbonylContact O-C 3.54Å; I289-T295 WeakPolarHBondContact O-CA 3.23Å; I290-T295 HydrophobicContact CD1-CG2 4.19Å; I290-T295 VanDerWaalsContact CD1-OG1 3.28Å; I290-T295 WeakPolarHBondContact CD1-OG1 3.26Å; T295-E297 WeakPolarHBondContact CG2-O 3.41Å; T295-A298 HydrophobicContact CG2-CB 3.99Å |
| 296 | I | 95.9 | Very high | 95.6 | Very high | 66 Ų | 66 | 68.4 Ų | 68.4 | 34% | 0.338 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | -24 | 176.7 | 62.2 | 169.3 | 0 | 0 | 0 | 112.5 | I289 E291 K294 | I289-I296 HydrophobicContact CB-CD1 4.29Å; I289-I296 HydrophobicContact CB-CG1 3.81Å; I289-I296 HydrophobicContact CG2-CD1 3.64Å; I289-I296 HydrophobicContact CG2-CG1 3.66Å; I289-I296 WeakPolarHBondContact O-CG1 3.45Å; I289-I296 PolarHBondContact O-N 3.4Å; E291-I296 HydrophobicContact CB-CD1 4.19Å; E291-I296 HydrophobicContact CB-CG2 3.87Å; K294-I296 PolarHBondContact O-N 2.85Å |
| 297 | E | 94.3 | Very high | 95.6 | Very high | 65 Ų | 65 | 67.4 Ų | 67.4 | 30% | 0.304 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 143.4 | 176.8 | -168.5 | 77.6 | 168.6 | 0 | 0 | 108.4 | S288 I289 T295 L346 I347 | S288-E297 CarbonylContact C-O 3.52Å; S288-E297 VanDerWaalsContact CA-O 3.29Å; S288-E297 WeakPolarHBondContact CA-O 3.32Å; S288-E297 WeakPolarHBondContact CB-O 3.45Å; I289-E297 HydrophobicContact CB-CB 4.25Å; I289-E297 HydrophobicContact CD1-CB 4Å; I289-E297 HydrophobicContact CD1-CG 4.49Å; I289-E297 HydrophobicContact CG1-CB 4.29Å; I289-E297 PolarHBondContact N-O 3.5Å; T295-E297 WeakPolarHBondContact CG2-O 3.41Å; E297-L346 HydrophobicContact CG-CB 4.4Å; E297-I347 HydrophobicContact CB-CD1 4.43Å; E297-I347 HydrophobicContact CG-CD1 3.78Å; E297-I347 HydrophobicContact CG-CG1 4.13Å |
| 298 | A | 95.6 | Very high | 95.7 | Very high | 67 Ų | 67 | 69.5 Ų | 69.5 | 55% | 0.554 | 40% | 0.398 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 135.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | V287 T295 | V287-A298 WeakPolarHBondContact O-CA 3.13Å; T295-A298 HydrophobicContact CG2-CB 3.99Å |
| 299 | A | 94.5 | Very high | 95.7 | Very high | 17 Ų | 17 | 68.4 Ų | 68.4 | 14% | 0.14 | 39% | 0.39 | C | S | . | . | trans | -95.5 | 146.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | G284 N286 V287 I347 | G284-A299 VanDerWaalsContact O-CB 3.31Å; G284-A299 WeakPolarHBondContact O-CB 3.38Å; N286-A299 VanDerWaalsContact CA-O 3.3Å; N286-A299 WeakPolarHBondContact CA-O 3.4Å; N286-A299 PolarHBondContact N-O 2.92Å; V287-A299 PolarHBondContact O-N 2.89Å; A299-I347 HydrophobicContact CB-CD1 4.24Å; A299-I347 HydrophobicContact CB-CG2 4.5Å | ||
| 300 | E | 94 | Very high | 95.8 | Very high | 185 Ų | 185 | 68.5 Ų | 68.5 | 86% | 0.864 | 39% | 0.391 | S | S | * | . | trans | -79.1 | 170.9 | 170.8 | -63.9 | -169.2 | 166.8 | 0 | 0 | 111 | N286 | N286-E300 PolarHBondContact N-O 3.37Š| ||
| 301 | G | 93.3 | Very high | 95.8 | Very high | 38 Ų | 38 | 68.1 Ų | 68.1 | 39% | 0.392 | 39% | 0.389 | S | S | . | . | trans | 158.8 | 176.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | N286 | N286-G301 VanDerWaalsContact CG-C 3.49Å; N286-G301 VanDerWaalsContact ND2-C 3.34Å; N286-G301 PolarHBondContact ND2-N 3.17Å; N286-G301 PolarHBondContact ND2-O 3.2Å; N286-G301 WeakPolarHBondContact OD1-CA 3.43Å; N286-G301 PolarHBondContact OD1-O 3.41Å | ||
| 302 | P | 94.3 | Very high | 95.8 | Very high | 111 Ų | 111 | 68.7 Ų | 68.7 | 72% | 0.721 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -89.3 | 2.1 | -175.9 | 36.1 | -36.5 | 0 | 0 | 0 | 114.6 | ||
| 303 | Y | 95.4 | Very high | 96 | Very high | 38 Ų | 38 | 65 Ų | 65 | 15% | 0.149 | 37% | 0.37 | C | S | . | . | trans | -97 | 160.3 | -170.6 | -65.5 | -77 | 0 | 0 | 0 | 113.9 | F213 F280 R282 A285 N286 | F213-Y303 HydrophobicContact CE1-CE1 4.39Å; F213-Y303 HydrophobicContact CZ-CE1 4.49Å; F280-Y303 HydrophobicContact CB-CD1 4.16Å; F280-Y303 HydrophobicContact CB-CE1 4.34Å; F280-Y303 VanDerWaalsContact O-CB 3.26Å; F280-Y303 WeakPolarHBondContact O-CB 3.46Å; F280-Y303 WeakPolarHBondContact O-CD1 3.47Å; F280-Y303 VanDerWaalsContact O-CG 3.26Å; R282-Y303 HydrophobicContact CB-CE2 4.45Å; R282-Y303 VanDerWaalsContact CD-OH 3.31Å; R282-Y303 WeakPolarHBondContact CD-OH 3.4Å; A285-Y303 HydrophobicContact CB-CD2 3.64Å; A285-Y303 HydrophobicContact CB-CE2 4.01Å; N286-Y303 PolarHBondContact ND2-O 2.85Å; N286-Y303 WeakPolarHBondContact OD1-CA 3.38Å; N286-Y303 WeakPolarHBondContact OD1-CB 3.44Å; N286-Y303 PolarHBondContact OD1-N 3.38Å; N286-Y303 PolarHBondContact OD1-O 3.04Å | ||
| 304 | G | 94.9 | Very high | 96.1 | Very high | 18 Ų | 18 | 64.9 Ų | 64.9 | 19% | 0.186 | 35% | 0.352 | C | S | . | . | trans | 129.6 | -11.9 | 168.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | E306 G307 | G304-E306 PolarHBondContact O-N 3.38Å; G304-G307 PolarHBondContact O-N 3.21Å | ||
| 305 | E | 95.3 | Very high | 96 | Very high | 186 Ų | 186 | 61.1 Ų | 61.1 | 87% | 0.869 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -30.5 | -177.5 | -63.8 | -169.2 | 163.7 | 0 | 0 | 112.7 | G307 | E305-G307 VanDerWaalsContact C-N 3.27Å; E305-G307 PolarHBondContact O-N 3.4Å |
| 306 | E | 94.7 | Very high | 96 | Very high | 53 Ų | 53 | 57.8 Ų | 57.8 | 25% | 0.248 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -6 | -177.5 | -56.7 | 90.7 | 162.3 | 0 | 0 | 113.6 | R52 F280 G304 | R52-E306 HydrophobicContact CB-CB 4.43Å; R52-E306 HydrophobicContact CG-CB 4.05Å; R52-E306 PolarHBondContact NE-O 2.92Å; F280-E306 HydrophobicContact CD2-CB 3.99Å; F280-E306 HydrophobicContact CD2-CG 3.71Å; F280-E306 HydrophobicContact CE2-CB 4.01Å; F280-E306 HydrophobicContact CE2-CG 3.74Å; G304-E306 PolarHBondContact O-N 3.38Å |
| 307 | G | 97.2 | Very high | 96 | Very high | 19 Ų | 19 | 55.4 Ų | 55.4 | 20% | 0.196 | 31% | 0.311 | C | S | . | . | trans | 107.6 | -179.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113 | I279 G304 E305 | I279-G307 WeakPolarHBondContact CG1-O 3.31Å; I279-G307 PolarHBondContact N-O 3.11Å; G304-G307 PolarHBondContact O-N 3.21Å; E305-G307 VanDerWaalsContact C-N 3.27Å; E305-G307 PolarHBondContact O-N 3.4Å | ||
| 308 | M | 98.1 | Very high | 96.1 | Very high | 54 Ų | 54 | 57.5 Ų | 57.5 | 27% | 0.266 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 157 | -168.5 | -55.9 | -75.4 | 177 | 0 | 0 | 110.8 | A264 V276 K277 P278 | A264-M308 HydrophobicContact CB-CB 3.85Å; A264-M308 VanDerWaalsContact CB-O 3.26Å; A264-M308 WeakPolarHBondContact CB-O 3.33Å; A264-M308 PolarHBondContact N-O 2.73Å; V276-M308 HydrophobicContact CG1-CB 3.83Å; V276-M308 HydrophobicContact CG1-CG 3.98Å; V276-M308 HydrophobicContact CG1-SD 4.12Å; K277-M308 CarbonylContact O-C 3.54Å; K277-M308 VanDerWaalsContact O-CA 3.31Å; K277-M308 WeakPolarHBondContact O-CA 3.48Å; P278-M308 WeakPolarHBondContact CA-SD 3.46Å; P278-M308 HydrophobicContact CB-CE 4.41Å; P278-M308 HydrophobicContact CB-SD 3.83Å; P278-M308 HydrophobicContact CG-CE 4.1Å; P278-M308 HydrophobicContact CG-SD 3.71Å; P278-M308 VanDerWaalsContact N-SD 3.36Å |
| 309 | I | 98.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 156.1 | 160.2 | 65.5 | 84.2 | 0 | 0 | 0 | 109.3 | K242 L245 P246 Y262 F263 V276 K277 I279 Q311 | K242-I309 HydrophobicContact CB-CG1 4.02Å; L245-I309 HydrophobicContact CD1-CD1 4.15Å; P246-I309 HydrophobicContact CG-CB 4.1Å; P246-I309 HydrophobicContact CG-CG2 3.72Å; Y262-I309 CarbonylContact O-C 3.52Å; Y262-I309 WeakPolarHBondContact O-CA 3.3Å; Y262-I309 WeakPolarHBondContact O-CB 3.48Å; F263-I309 HydrophobicContact CD1-CG2 4.2Å; V276-I309 WeakPolarHBondContact CA-O 3.23Å; K277-I309 HydrophobicContact CB-CD1 3.96Å; K277-I309 HydrophobicContact CB-CG1 4.17Å; K277-I309 HydrophobicContact CD-CD1 4.18Å; K277-I309 HydrophobicContact CG-CD1 4.19Å; K277-I309 PolarHBondContact N-O 2.64Å; K277-I309 PolarHBondContact O-N 2.62Å; I279-I309 HydrophobicContact CG1-CG2 4.33Å; I309-Q311 HydrophobicContact CD1-CB 4Å |
| 310 | V | 98.3 | Very high | 95.7 | Very high | 6 Ų | 6 | 61.3 Ų | 61.3 | 4% | 0.036 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 136.5 | 165.5 | -64.3 | 0 | 0 | 0 | 0 | 108.7 | A261 Y262 A264 M271 Y274 V275 V276 | A261-V310 CarbonylContact C-O 3.57Å; A261-V310 WeakPolarHBondContact CA-O 2.85Å; Y262-V310 HydrophobicContact CD2-CG2 4.4Å; Y262-V310 PolarHBondContact N-O 3.18Å; Y262-V310 PolarHBondContact O-N 3.29Å; A264-V310 HydrophobicContact CB-CG1 4.13Å; M271-V310 HydrophobicContact CE-CB 3.8Å; M271-V310 HydrophobicContact CE-CG2 3.51Å; Y274-V310 HydrophobicContact CD2-CB 4.07Å; Y274-V310 HydrophobicContact CD2-CG1 3.97Å; Y274-V310 HydrophobicContact CE2-CG1 3.99Å; V275-V310 CarbonylContact O-C 3.55Å; V275-V310 WeakPolarHBondContact O-CA 3.27Å; V276-V310 HydrophobicContact CG2-CG1 4.25Å |
| 311 | Q | 98.6 | Very high | 95.5 | Very high | 4 Ų | 4 | 58.4 Ų | 58.4 | 2% | 0.019 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 138.4 | 177.7 | -175.3 | 178.3 | 45.5 | 0 | 0 | 109.3 | L88 L89 L259 P260 A261 Y274 V275 I309 F313 | L88-Q311 PolarHBondContact O-NE2 3.49Å; L89-Q311 PolarHBondContact O-OE1 3.32Å; L259-Q311 HydrophobicContact CB-CG 3.84Å; L259-Q311 HydrophobicContact CD1-CG 4.26Å; P260-Q311 CarbonylContact O-C 3.56Å; P260-Q311 WeakPolarHBondContact O-CA 3.28Å; A261-Q311 HydrophobicContact CB-CB 4.3Å; A261-Q311 HydrophobicContact CB-CG 4.23Å; Y274-Q311 CarbonylContact C-O 3.57Å; Y274-Q311 VanDerWaalsContact CA-O 3.3Å; Y274-Q311 WeakPolarHBondContact CA-O 3.46Å; Y274-Q311 VanDerWaalsContact CB-O 3.31Å; Y274-Q311 WeakPolarHBondContact CB-O 3.47Å; V275-Q311 PolarHBondContact N-O 2.77Å; V275-Q311 PolarHBondContact O-N 2.89Å; I309-Q311 HydrophobicContact CD1-CB 4Å; Q311-F313 PolarHBondContact O-N 2.9Å |
| 312 | Q | 98.2 | Very high | 95.5 | Very high | 86 Ų | 86 | 57 Ų | 57 | 40% | 0.402 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -52.2 | 132.3 | 174.1 | -175.7 | 176.5 | 37.2 | 0 | 0 | 109.7 | L259 P260 M271 H314 | L259-Q312 HydrophobicContact CB-CB 4.45Å; P260-Q312 HydrophobicContact CB-CB 4.15Å; P260-Q312 HydrophobicContact CG-CB 4.11Å; P260-Q312 PolarHBondContact O-N 2.77Å; M271-Q312 HydrophobicContact SD-CB 4.33Å; Q312-H314 PolarHBondContact O-N 2.62Å |
| 313 | F | 97.8 | Very high | 95.5 | Very high | 40 Ų | 40 | 54 Ų | 54 | 18% | 0.175 | 29% | 0.288 | C | S | . | . | trans | -68 | 131.1 | 177.8 | 176.4 | -92.4 | 0 | 0 | 0 | 109.9 | K273 V275 I289 Q311 P315 | K273-F313 HydrophobicContact CB-CB 4.17Å; K273-F313 HydrophobicContact CD-CB 4.16Å; K273-F313 HydrophobicContact CD-CD1 3.49Å; K273-F313 VanDerWaalsContact CD-CD1 3.49Å; K273-F313 HydrophobicContact CD-CE1 4Å; K273-F313 HydrophobicContact CD-CG 3.83Å; K273-F313 HydrophobicContact CG-CB 3.7Å; K273-F313 HydrophobicContact CG-CD1 4.02Å; K273-F313 HydrophobicContact CG-CG 3.86Å; K273-F313 PolarHBondContact O-N 2.89Å; V275-F313 HydrophobicContact CG2-CB 4.32Å; V275-F313 HydrophobicContact CG2-CD2 3.82Å; I289-F313 HydrophobicContact CD1-CD2 4.42Å; I289-F313 HydrophobicContact CD1-CE2 3.89Å; I289-F313 HydrophobicContact CG1-CD2 4.46Å; I289-F313 HydrophobicContact CG1-CE2 4.41Å; I289-F313 HydrophobicContact CG2-CD2 3.66Å; I289-F313 HydrophobicContact CG2-CE2 3.94Å; I289-F313 HydrophobicContact CG2-CG 4.47Å; Q311-F313 PolarHBondContact O-N 2.9Å; F313-P315 HydrophobicContact CE1-CB 3.93Å; F313-P315 HydrophobicContact CZ-CB 4.28Å | ||
| 314 | H | 96.7 | Very high | 95.5 | Very high | 65 Ų | 65 | 52.8 Ų | 52.8 | 30% | 0.301 | 28% | 0.284 | S | S | . | . | trans | -124.5 | 124.9 | 168.5 | -165.3 | 79.6 | 0 | 0 | 0 | 108.2 | L259 Q312 L316 | L259-H314 HydrophobicContact CD1-CB 3.72Å; L259-H314 HydrophobicContact CD2-CB 3.83Å; L259-H314 HydrophobicContact CG-CB 4.43Å; Q312-H314 PolarHBondContact O-N 2.62Å; H314-L316 PolarHBondContact O-N 2.85Å | ||
| 315 | P | 94.3 | Very high | 95.6 | Very high | 76 Ų | 76 | 52.1 Ų | 52.1 | 49% | 0.494 | 28% | 0.276 | S | S | . | . | P | Polyproline II helix | trans | -66.5 | 134.2 | -178.6 | 27.7 | -33 | 0 | 0 | 0 | 110.3 | F313 | F313-P315 HydrophobicContact CE1-CB 3.93Å; F313-P315 HydrophobicContact CZ-CB 4.28Å |
| 316 | L | 96.8 | Very high | 95.8 | Very high | 20 Ų | 20 | 43.4 Ų | 43.4 | 11% | 0.105 | 24% | 0.236 | C | C | . | . | P | Polyproline II helix | trans | -65.9 | 141.4 | 163.4 | -66.6 | -177.8 | 0 | 0 | 0 | 109.3 | A79 L89 H314 K318 Y323 L325 | A79-L316 HydrophobicContact CB-CD2 3.74Å; L89-L316 HydrophobicContact CD1-CD2 3.79Å; H314-L316 PolarHBondContact O-N 2.85Å; L316-K318 PolarHBondContact O-N 2.95Å; L316-Y323 HydrophobicContact CB-CD1 4.32Å; L316-L325 HydrophobicContact CD2-CD1 3.87Å |
| 317 | P | 95.3 | Very high | 95.9 | Very high | 16 Ų | 16 | 41 Ų | 41 | 10% | 0.104 | 23% | 0.225 | C | C | . | . | P | Polyproline II helix | trans | -52.9 | 138.6 | 171 | -20.9 | 28 | 0 | 0 | 0 | 110.9 | W80 D81 F319 Y323 M324 | W80-P317 WeakPolarHBondContact O-CG 3.43Å; D81-P317 HydrophobicContact CB-CB 3.98Å; D81-P317 HydrophobicContact CB-CG 3.86Å; P317-F319 HydrophobicContact CB-CD2 4.41Å; P317-F319 HydrophobicContact CB-CE2 3.84Å; P317-Y323 CarbonylContact O-C 3.52Å; P317-Y323 WeakPolarHBondContact O-CA 3.26Å; P317-M324 HydrophobicContact CB-CB 4.41Å; P317-M324 HydrophobicContact CB-SD 4.47Å; P317-M324 WeakPolarHBondContact CD-O 3.3Å; P317-M324 HydrophobicContact CG-SD 4.37Å; P317-M324 PolarHBondContact O-N 3.46Å |
| 318 | K | 95.3 | Very high | 96 | Very high | 109 Ų | 109 | 40.1 Ų | 40.1 | 47% | 0.474 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 120 | -179.5 | -175.9 | 173 | 175.2 | 163.4 | 0 | 110.7 | L316 G320 D321 S322 Y323 | L316-K318 PolarHBondContact O-N 2.95Å; K318-G320 WeakPolarHBondContact CE-O 3.31Å; K318-D321 IonicContact NZ-OD1 2.8Å; K318-S322 CarbonylContact C-O 3.57Å; K318-S322 VanDerWaalsContact CA-O 3.28Å; K318-S322 WeakPolarHBondContact CA-O 3.29Å; K318-Y323 HydrophobicContact CB-CD1 4.14Å; K318-Y323 HydrophobicContact CB-CE1 4.07Å; K318-Y323 HydrophobicContact CD-CE1 3.91Å; K318-Y323 HydrophobicContact CG-CD1 4.42Å; K318-Y323 HydrophobicContact CG-CE1 4.16Å |
| 319 | F | 91.4 | Very high | 96 | Very high | 96 Ų | 96 | 37.6 Ų | 37.6 | 42% | 0.421 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 114.2 | 173.6 | -68.7 | -89.4 | 0 | 0 | 0 | 109.1 | Y13 P317 D321 S322 M324 | Y13-F319 AromaticContact CE1-CD2 3.81Å; Y13-F319 HydrophobicContact CE1-CD2 3.81Å; Y13-F319 HydrophobicContact CE1-CE1 4.37Å; Y13-F319 AromaticContact CE1-CE2 3.65Å; Y13-F319 HydrophobicContact CE1-CE2 3.65Å; Y13-F319 HydrophobicContact CE1-CG 4.25Å; Y13-F319 AromaticContact CE1-CZ 3.95Å; Y13-F319 HydrophobicContact CE1-CZ 3.95Å; Y13-F319 WeakPolarHBondContact OH-CD2 3.21Å; P317-F319 HydrophobicContact CB-CD2 4.41Å; P317-F319 HydrophobicContact CB-CE2 3.84Å; F319-D321 PolarHBondContact O-N 2.96Å; F319-D321 VanDerWaalsContact O-N 3.15Å; F319-S322 PolarHBondContact N-O 3.35Å; F319-S322 PolarHBondContact O-N 3.21Å; F319-M324 HydrophobicContact CD2-CB 3.99Å; F319-M324 HydrophobicContact CE2-CB 4.22Å; F319-M324 HydrophobicContact CE2-SD 3.95Å |
| 320 | G | 90.3 | Very high | 96 | Very high | 67 Ų | 67 | 37.6 Ų | 37.6 | 69% | 0.691 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.2 | -119.2 | -170.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | K318 | K318-G320 WeakPolarHBondContact CE-O 3.31Š|
| 321 | D | 90.5 | Very high | 96 | Very high | 124 Ų | 124 | 37.7 Ų | 37.7 | 66% | 0.663 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -103.3 | 7.7 | 175.7 | -70 | -40.1 | 0 | 0 | 0 | 113.6 | K318 F319 | K318-D321 IonicContact NZ-OD1 2.8Å; F319-D321 PolarHBondContact O-N 2.96Å; F319-D321 VanDerWaalsContact O-N 3.15Å |
| 322 | S | 92.8 | Very high | 96 | Very high | 10 Ų | 10 | 39 Ų | 39 | 7% | 0.07 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 146.7 | -179.9 | -59.4 | 0 | 0 | 0 | 0 | 112.2 | K318 F319 E342 D343 R353 | K318-S322 CarbonylContact C-O 3.57Å; K318-S322 VanDerWaalsContact CA-O 3.28Å; K318-S322 WeakPolarHBondContact CA-O 3.29Å; F319-S322 PolarHBondContact N-O 3.35Å; F319-S322 PolarHBondContact O-N 3.21Å; S322-E342 WeakPolarHBondContact CB-OE2 3.48Å; S322-E342 PolarHBondContact OG-OE2 3.48Å; S322-D343 CarbonylContact C-O 3.53Å; S322-D343 WeakPolarHBondContact CA-O 3.21Å; S322-R353 PolarHBondContact OG-NH2 3.2Å |
| 323 | Y | 95.8 | Very high | 95.9 | Very high | 48 Ų | 48 | 37.9 Ų | 37.9 | 19% | 0.188 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 127.1 | 169.5 | -62.8 | -81.9 | 0 | 0 | 0 | 109.5 | L316 P317 K318 E342 D343 R344 A345 L346 | L316-Y323 HydrophobicContact CB-CD1 4.32Å; P317-Y323 CarbonylContact O-C 3.52Å; P317-Y323 WeakPolarHBondContact O-CA 3.26Å; K318-Y323 HydrophobicContact CB-CD1 4.14Å; K318-Y323 HydrophobicContact CB-CE1 4.07Å; K318-Y323 HydrophobicContact CD-CE1 3.91Å; K318-Y323 HydrophobicContact CG-CD1 4.42Å; K318-Y323 HydrophobicContact CG-CE1 4.16Å; Y323-E342 WeakPolarHBondContact O-CA 3.39Å; Y323-D343 PolarHBondContact N-O 3.2Å; Y323-D343 PolarHBondContact O-N 3.07Å; Y323-R344 WeakPolarHBondContact CE2-O 3.35Å; Y323-A345 VanDerWaalsContact CD2-O 3.28Å; Y323-A345 WeakPolarHBondContact CD2-O 3.31Å; Y323-L346 HydrophobicContact CD1-CD2 4.08Å; Y323-L346 HydrophobicContact CD2-CD2 4.28Å; Y323-L346 HydrophobicContact CE1-CD2 3.52Å; Y323-L346 HydrophobicContact CE2-CD2 3.77Å; Y323-L346 HydrophobicContact CE2-CG 4.35Å; Y323-L346 HydrophobicContact CG-CD2 4.42Å |
| 324 | M | 95.8 | Very high | 95.9 | Very high | 11 Ų | 11 | 41.3 Ų | 41.3 | 5% | 0.054 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 136 | -173.5 | 179.5 | -135.6 | 178.4 | 0 | 0 | 111.3 | Y13 P317 F319 I326 I340 R341 | Y13-M324 HydrophobicContact CD1-CE 4.01Å; Y13-M324 HydrophobicContact CD1-SD 4.36Å; Y13-M324 HydrophobicContact CE1-CE 3.93Å; Y13-M324 HydrophobicContact CE1-CG 3.88Å; Y13-M324 HydrophobicContact CE1-SD 3.75Å; Y13-M324 HydrophobicContact CE2-CG 4.48Å; Y13-M324 WeakPolarHBondContact OH-CG 3.13Å; P317-M324 HydrophobicContact CB-CB 4.41Å; P317-M324 HydrophobicContact CB-SD 4.47Å; P317-M324 WeakPolarHBondContact CD-O 3.3Å; P317-M324 HydrophobicContact CG-SD 4.37Å; P317-M324 PolarHBondContact O-N 3.46Å; F319-M324 HydrophobicContact CD2-CB 3.99Å; F319-M324 HydrophobicContact CE2-CB 4.22Å; F319-M324 HydrophobicContact CE2-SD 3.95Å; M324-I326 HydrophobicContact CE-CD1 3.88Å; M324-I326 HydrophobicContact CE-CG1 3.37Å; M324-I326 HydrophobicContact SD-CG1 4.39Å; M324-I340 HydrophobicContact CE-CB 4.31Å; M324-I340 HydrophobicContact CE-CD1 3.76Å; M324-I340 HydrophobicContact CE-CG1 3.83Å; M324-I340 HydrophobicContact CE-CG2 3.53Å; M324-I340 HydrophobicContact CG-CG2 3.59Å; M324-I340 HydrophobicContact SD-CG2 4.44Å; M324-R341 CarbonylContact C-O 3.54Å; M324-R341 WeakPolarHBondContact CA-O 3.26Å |
| 325 | L | 96.8 | Very high | 96 | Very high | 4 Ų | 4 | 39.1 Ų | 39.1 | 2% | 0.021 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 136.8 | 171.2 | -178.4 | 74.5 | 0 | 0 | 0 | 109.9 | D77 L78 L89 L316 R341 T348 | D77-L325 HydrophobicContact CB-CD1 4.18Å; D77-L325 HydrophobicContact CB-CD2 4.12Å; D77-L325 HydrophobicContact CB-CG 4.45Å; L78-L325 WeakPolarHBondContact O-CD1 3.08Å; L89-L325 HydrophobicContact CD1-CD1 3.45Å; L89-L325 VanDerWaalsContact CD1-CD1 3.45Å; L316-L325 HydrophobicContact CD2-CD1 3.87Å; L325-R341 VanDerWaalsContact CD2-NH2 3.34Å; L325-R341 PolarHBondContact N-O 2.83Å; L325-R341 PolarHBondContact O-N 3.04Å; L325-T348 HydrophobicContact CD2-CG2 3.91Å |
| 326 | I | 98 | Very high | 96.2 | Very high | 4 Ų | 4 | 35.5 Ų | 35.5 | 2% | 0.021 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 121.1 | 172.2 | -61.1 | 172.3 | 0 | 0 | 0 | 108.5 | L23 D77 L78 W80 M324 I338 | L23-I326 HydrophobicContact CD1-CD1 4.37Å; L23-I326 HydrophobicContact CD2-CD1 4.22Å; L23-I326 HydrophobicContact CD2-CG2 4.46Å; D77-I326 WeakPolarHBondContact CA-O 3.39Å; L78-I326 HydrophobicContact CB-CB 4.27Å; L78-I326 PolarHBondContact N-O 3.48Å; L78-I326 PolarHBondContact O-N 3.46Å; W80-I326 HydrophobicContact CB-CD1 4.06Å; W80-I326 HydrophobicContact CE3-CD1 4.11Å; M324-I326 HydrophobicContact CE-CD1 3.88Å; M324-I326 HydrophobicContact CE-CG1 3.37Å; M324-I326 HydrophobicContact SD-CG1 4.39Å; I326-I338 HydrophobicContact CG2-CB 4.18Å; I326-I338 HydrophobicContact CG2-CG2 3.98Å |
| 327 | G | 98.1 | Very high | 96.3 | Very high | 2 Ų | 2 | 34.5 Ų | 34.5 | 2% | 0.021 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 104.9 | 163.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | L76 W329 I338 G339 | L76-G327 CarbonylContact O-C 3.55Å; L76-G327 WeakPolarHBondContact O-CA 3.21Å; G327-W329 VanDerWaalsContact O-CD1 3.29Å; G327-I338 CarbonylContact O-C 3.6Å; G327-I338 VanDerWaalsContact O-CA 3.29Å; G327-I338 WeakPolarHBondContact O-CA 3.45Å; G327-G339 PolarHBondContact N-O 3.45Å; G327-G339 PolarHBondContact O-N 2.98Å |
| 328 | S | 98.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 120.2 | 178.1 | -165.8 | 0 | 0 | 0 | 0 | 111.1 | T27 R75 L76 | T27-S328 WeakPolarHBondContact CG2-OG 3.43Å; T27-S328 WeakPolarHBondContact OG1-CB 3.44Å; T27-S328 PolarHBondContact OG1-OG 3.07Å; R75-S328 CarbonylContact C-O 3.56Å; R75-S328 WeakPolarHBondContact CA-O 3.44Å; L76-S328 PolarHBondContact N-O 3.5Å; L76-S328 PolarHBondContact O-N 3.15Å |
| 329 | W | 98.7 | Very high | 96.5 | Very high | 2 Ų | 2 | 28.7 Ų | 28.7 | 1% | 0.008 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 139.9 | -168.6 | -66.9 | 92.4 | 0 | 0 | 0 | 112.1 | Y73 S74 R75 P96 T97 L99 A102 L129 G327 P335 A336 G337 | Y73-W329 AromaticContact CD2-CE3 3.97Å; Y73-W329 HydrophobicContact CD2-CE3 3.97Å; Y73-W329 AromaticContact CD2-CZ3 3.55Å; Y73-W329 HydrophobicContact CD2-CZ3 3.55Å; Y73-W329 HydrophobicContact CE2-CE3 4.49Å; Y73-W329 HydrophobicContact CE2-CH2 4.4Å; Y73-W329 AromaticContact CE2-CZ3 3.63Å; Y73-W329 HydrophobicContact CE2-CZ3 3.63Å; S74-W329 WeakPolarHBondContact O-CA 3.41Å; R75-W329 HydrophobicContact CB-CD2 4.05Å; R75-W329 HydrophobicContact CB-CE3 3.79Å; R75-W329 HydrophobicContact CB-CH2 4.17Å; R75-W329 HydrophobicContact CB-CZ2 4.39Å; R75-W329 HydrophobicContact CB-CZ3 3.83Å; R75-W329 VanDerWaalsContact CD-CZ2 3.46Å; R75-W329 HydrophobicContact CG-CD2 3.9Å; R75-W329 HydrophobicContact CG-CE3 4.17Å; R75-W329 HydrophobicContact CG-CG 4.4Å; R75-W329 HydrophobicContact CG-CH2 4.35Å; R75-W329 HydrophobicContact CG-CZ2 4.08Å; R75-W329 HydrophobicContact CG-CZ3 4.37Å; P96-W329 HydrophobicContact CB-CH2 4.04Å; P96-W329 HydrophobicContact CB-CZ3 3.83Å; P96-W329 HydrophobicContact CG-CZ3 3.91Å; T97-W329 WeakPolarHBondContact O-CH2 3.24Å; T97-W329 WeakPolarHBondContact O-CZ2 3.4Å; L99-W329 VanDerWaalsContact CA-CH2 3.47Å; L99-W329 HydrophobicContact CB-CH2 3.59Å; L99-W329 HydrophobicContact CB-CZ2 4.21Å; L99-W329 HydrophobicContact CB-CZ3 3.98Å; L99-W329 HydrophobicContact CD1-CD2 4.28Å; L99-W329 HydrophobicContact CD1-CE3 3.85Å; L99-W329 HydrophobicContact CD1-CH2 4.09Å; L99-W329 HydrophobicContact CD1-CZ3 3.77Å; L99-W329 HydrophobicContact CG-CH2 4.46Å; L99-W329 HydrophobicContact CG-CZ3 4.43Å; A102-W329 HydrophobicContact CB-CZ2 4.33Å; L129-W329 HydrophobicContact CD1-CB 4.31Å; L129-W329 HydrophobicContact CD1-CG 4.11Å; L129-W329 HydrophobicContact CD2-CB 3.53Å; L129-W329 HydrophobicContact CD2-CG 4.05Å; L129-W329 HydrophobicContact CG-CB 4.43Å; G327-W329 VanDerWaalsContact O-CD1 3.29Å; W329-P335 WeakPolarHBondContact O-CA 3.27Å; W329-A336 PolarHBondContact O-N 3.36Å; W329-G337 WeakPolarHBondContact CB-O 3.46Å; W329-G337 PolarHBondContact N-O 2.92Å |
| 330 | L | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 140.9 | 165.5 | -59.7 | 102.2 | 0 | 0 | 0 | 110.4 | T27 H31 Y73 S74 L76 Q334 | T27-L330 HydrophobicContact CG2-CD1 3.57Å; T27-L330 HydrophobicContact CG2-CD2 4.04Å; T27-L330 HydrophobicContact CG2-CG 3.64Å; H31-L330 HydrophobicContact CB-CD1 4.42Å; H31-L330 HydrophobicContact CB-CD2 3.56Å; Y73-L330 CarbonylContact C-O 3.58Å; Y73-L330 WeakPolarHBondContact CA-O 3.5Å; Y73-L330 VanDerWaalsContact CB-O 3.28Å; Y73-L330 WeakPolarHBondContact CB-O 3.26Å; S74-L330 PolarHBondContact N-O 2.98Å; S74-L330 PolarHBondContact O-N 3.08Å; S74-L330 WeakPolarHBondContact OG-CD1 3.42Å; L76-L330 HydrophobicContact CD1-CD1 4.21Å; L76-L330 HydrophobicContact CG-CD1 3.96Å; L330-Q334 CarbonylContact C-O 3.54Å; L330-Q334 WeakPolarHBondContact CA-O 3.46Å |
| 331 | V | 98.7 | Very high | 97 | Very high | 7 Ų | 7 | 21.8 Ų | 21.8 | 4% | 0.042 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 115.6 | 159.8 | 179.1 | 0 | 0 | 0 | 0 | 107.3 | L72 L129 K132 L133 R136 D333 Q334 A336 | L72-V331 CarbonylContact O-C 3.49Å; L129-V331 HydrophobicContact CD2-CG2 4.12Å; K132-V331 HydrophobicContact CB-CB 3.91Å; K132-V331 HydrophobicContact CB-CG1 4.13Å; K132-V331 HydrophobicContact CB-CG2 3.91Å; K132-V331 WeakPolarHBondContact O-CG1 3.48Å; L133-V331 HydrophobicContact CD2-CG1 4.21Å; L133-V331 HydrophobicContact CD2-CG2 4.06Å; L133-V331 HydrophobicContact CG-CG1 4.49Å; L133-V331 HydrophobicContact CG-CG2 3.87Å; R136-V331 HydrophobicContact CB-CG1 3.67Å; R136-V331 HydrophobicContact CG-CG1 4.06Å; V331-D333 PolarHBondContact O-N 3.31Å; V331-Q334 PolarHBondContact N-O 3.03Å; V331-Q334 PolarHBondContact O-N 2.91Å; V331-A336 HydrophobicContact CB-CB 4.21Å; V331-A336 HydrophobicContact CG2-CB 3.67Å |
| 332 | N | 97.6 | Very high | 97.2 | Very high | 31 Ų | 31 | 16.6 Ų | 16.6 | 17% | 0.166 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.6 | -100.1 | -164.8 | -175.5 | 53.8 | 0 | 0 | 0 | 111.8 | S71 L72 R136 | S71-N332 PolarHBondContact OG-OD1 2.9Å; L72-N332 PolarHBondContact O-N 3.1Å; R136-N332 PolarHBondContact NH2-OD1 3.25Å |
| 333 | D | 96.5 | Very high | 97.2 | Very high | 63 Ų | 63 | 17.2 Ų | 17.2 | 34% | 0.337 | 9% | 0.085 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111.6 | -0.1 | -177.6 | -59.7 | -55.3 | 0 | 0 | 0 | 113.1 | H31 V331 | H31-D333 IonicContact CD2-OD1 3.53Å; H31-D333 IonicContact CE1-OD1 2.71Å; H31-D333 IonicContact NE2-OD1 3.91Å; H31-D333 PolarHBondContact NE2-OD1 2.99Å; V331-D333 PolarHBondContact O-N 3.31Å |
| 334 | Q | 98.3 | Very high | 96.9 | Very high | 113 Ų | 113 | 23.9 Ų | 23.9 | 53% | 0.528 | 11% | 0.11 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 130.3 | -174.1 | -61.5 | -167.5 | 10.2 | 0 | 0 | 111.6 | L330 V331 A336 | L330-Q334 CarbonylContact C-O 3.54Å; L330-Q334 WeakPolarHBondContact CA-O 3.46Å; V331-Q334 PolarHBondContact N-O 3.03Å; V331-Q334 PolarHBondContact O-N 2.91Å; Q334-A336 PolarHBondContact O-N 2.97Å |
| 335 | P | 98.6 | Very high | 96.6 | Very high | 18 Ų | 18 | 24.4 Ų | 24.4 | 12% | 0.117 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -51.4 | 134.5 | 162.9 | -22.4 | 32.4 | 0 | 0 | 0 | 110.2 | E24 T27 A28 F126 K132 W329 | E24-P335 HydrophobicContact CB-CB 4.32Å; E24-P335 HydrophobicContact CG-CB 4.23Å; E24-P335 VanDerWaalsContact O-CG 3.23Å; E24-P335 WeakPolarHBondContact O-CG 3.49Å; T27-P335 HydrophobicContact CG2-CB 4.22Å; T27-P335 HydrophobicContact CG2-CG 4.16Å; A28-P335 HydrophobicContact CB-CG 3.85Å; F126-P335 HydrophobicContact CZ-CB 4.08Å; K132-P335 PolarHBondContact NZ-O 3.4Å; W329-P335 WeakPolarHBondContact O-CA 3.27Å |
| 336 | A | 98.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | -17.2 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | S128 L129 K132 W329 V331 Q334 | S128-A336 CarbonylContact C-O 3.49Å; S128-A336 WeakPolarHBondContact CA-O 3.42Å; S128-A336 PolarHBondContact N-O 3.14Å; S128-A336 PolarHBondContact OG-O 3.09Å; L129-A336 HydrophobicContact CD2-CB 3.57Å; L129-A336 HydrophobicContact CG-CB 4.21Å; L129-A336 PolarHBondContact N-O 3.31Å; K132-A336 HydrophobicContact CD-CB 3.78Å; W329-A336 PolarHBondContact O-N 3.36Å; V331-A336 HydrophobicContact CB-CB 4.21Å; V331-A336 HydrophobicContact CG2-CB 3.67Å; Q334-A336 PolarHBondContact O-N 2.97Å |
| 337 | G | 98.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 163.4 | -175 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | F126 W329 | F126-G337 CarbonylContact O-C 3.44Å; F126-G337 WeakPolarHBondContact O-CA 3.5Å; W329-G337 WeakPolarHBondContact CB-O 3.46Å; W329-G337 PolarHBondContact N-O 2.92Å |
| 338 | I | 98.3 | Very high | 95.3 | Very high | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.005 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 150.7 | 175.8 | 62.3 | 175.1 | 0 | 0 | 0 | 112.4 | L15 L23 Q106 F126 I326 G327 H357 | L15-I338 HydrophobicContact CD1-CD1 4.31Å; L15-I338 HydrophobicContact CD2-CD1 3.98Å; L23-I338 HydrophobicContact CD1-CD1 4.07Å; L23-I338 HydrophobicContact CD1-CG2 4.29Å; Q106-I338 PolarHBondContact NE2-O 3.06Å; F126-I338 HydrophobicContact CD1-CB 4.42Å; F126-I338 HydrophobicContact CD1-CG1 4.22Å; F126-I338 HydrophobicContact CD1-CG2 3.69Å; F126-I338 HydrophobicContact CE1-CG2 3.8Å; F126-I338 PolarHBondContact O-N 3.44Å; F126-I338 VanDerWaalsContact O-N 3.1Å; I326-I338 HydrophobicContact CG2-CB 4.18Å; I326-I338 HydrophobicContact CG2-CG2 3.98Å; G327-I338 CarbonylContact O-C 3.6Å; G327-I338 VanDerWaalsContact O-CA 3.29Å; G327-I338 WeakPolarHBondContact O-CA 3.45Å; I338-H357 WeakPolarHBondContact CG1-CE1 3.35Å; I338-H357 WeakPolarHBondContact CG1-NE2 3.35Å; I338-H357 PolarHBondContact O-CE1 2.86Å |
| 339 | G | 97.3 | Very high | 94.7 | Very high | 2 Ų | 2 | 31.6 Ų | 31.6 | 2% | 0.021 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 148.9 | 160 | 0 | 0 | 0 | 0 | 0 | 110.4 | G327 | G327-G339 PolarHBondContact N-O 3.45Å; G327-G339 PolarHBondContact O-N 2.98Å |
| 340 | I | 96.6 | Very high | 93.8 | Very high | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 125.3 | 179.1 | -60.6 | 170.5 | 0 | 0 | 0 | 109.1 | Y13 M324 F354 Y355 H357 | Y13-I340 VanDerWaalsContact CB-CD1 3.4Å; Y13-I340 HydrophobicContact CD1-CD1 4.25Å; Y13-I340 HydrophobicContact CD2-CB 4.18Å; Y13-I340 HydrophobicContact CD2-CD1 3.71Å; Y13-I340 HydrophobicContact CD2-CG2 3.62Å; Y13-I340 HydrophobicContact CE2-CB 4.43Å; Y13-I340 HydrophobicContact CE2-CG2 3.44Å; Y13-I340 VanDerWaalsContact CE2-CG2 3.44Å; Y13-I340 HydrophobicContact CG-CD1 3.52Å; Y13-I340 HydrophobicContact CG-CG2 4.26Å; M324-I340 HydrophobicContact CE-CB 4.31Å; M324-I340 HydrophobicContact CE-CD1 3.76Å; M324-I340 HydrophobicContact CE-CG1 3.83Å; M324-I340 HydrophobicContact CE-CG2 3.53Å; M324-I340 HydrophobicContact CG-CG2 3.59Å; M324-I340 HydrophobicContact SD-CG2 4.44Å; I340-F354 WeakPolarHBondContact O-CA 3.35Å; I340-Y355 PolarHBondContact O-N 3.13Å; I340-H357 HydrophobicContact CD1-CB 3.72Å |
| 341 | R | 95.1 | Very high | 93 | Very high | 17 Ų | 17 | 36.9 Ų | 36.9 | 6% | 0.064 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 138.2 | 178.4 | -63 | -171.7 | -63.9 | 171.6 | 1.9 | 110.6 | D77 M324 L325 T348 R353 F354 | D77-R341 IonicContact OD1-NH2 3.39Å; D77-R341 IonicContact OD2-NH2 3.86Å; D77-R341 PolarHBondContact OD2-NH2 2.93Å; M324-R341 CarbonylContact C-O 3.54Å; M324-R341 WeakPolarHBondContact CA-O 3.26Å; L325-R341 VanDerWaalsContact CD2-NH2 3.34Å; L325-R341 PolarHBondContact N-O 2.83Å; L325-R341 PolarHBondContact O-N 3.04Å; R341-T348 HydrophobicContact CB-CG2 4.43Å; R341-R353 CarbonylContact C-O 3.55Å; R341-R353 VanDerWaalsContact CA-O 3.27Å; R341-R353 WeakPolarHBondContact CA-O 3.41Å; R341-F354 HydrophobicContact CG-CD2 4.3Å |
| 342 | E | 94.2 | Very high | 92.4 | Very high | 14 Ų | 14 | 36.6 Ų | 36.6 | 7% | 0.065 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 134 | 173.9 | -76 | -167.5 | -173.4 | 0 | 0 | 111.7 | Y13 S322 Y323 R353 Y355 | Y13-E342 HydrophobicContact CE2-CG 4.46Å; Y13-E342 WeakPolarHBondContact CE2-OE1 3.48Å; Y13-E342 VanDerWaalsContact CZ-OE1 3.31Å; Y13-E342 PolarHBondContact OH-OE1 2.94Å; S322-E342 WeakPolarHBondContact CB-OE2 3.48Å; S322-E342 PolarHBondContact OG-OE2 3.48Å; Y323-E342 WeakPolarHBondContact O-CA 3.39Å; E342-R353 PolarHBondContact N-O 3.25Å; E342-R353 PolarHBondContact O-N 2.99Å; E342-R353 IonicContact OE2-NH2 2.78Å; E342-Y355 HydrophobicContact CB-CD2 3.94Å; E342-Y355 HydrophobicContact CB-CE2 3.83Å; E342-Y355 HydrophobicContact CG-CD2 3.74Å; E342-Y355 HydrophobicContact CG-CE2 3.9Å; E342-Y355 WeakPolarHBondContact OE2-CE2 3.36Å |
| 343 | D | 92.2 | Very high | 92.1 | Very high | 24 Ų | 24 | 37.3 Ų | 37.3 | 13% | 0.128 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 150.4 | 169.7 | -155.6 | -50.1 | 0 | 0 | 0 | 110.2 | S322 Y323 A345 Q349 S352 | S322-D343 CarbonylContact C-O 3.53Å; S322-D343 WeakPolarHBondContact CA-O 3.21Å; Y323-D343 PolarHBondContact N-O 3.2Å; Y323-D343 PolarHBondContact O-N 3.07Å; D343-A345 WeakPolarHBondContact OD1-CB 3.21Å; D343-A345 PolarHBondContact OD1-N 3.16Å; D343-Q349 PolarHBondContact OD2-N 3.24Å; D343-Q349 VanDerWaalsContact OD2-N 3.09Å; D343-S352 PolarHBondContact OD2-OG 2.78Å; D343-S352 VanDerWaalsContact OD2-OG 3.09Å |
| 344 | R | 90.7 | Very high | 92 | Very high | 188 Ų | 188 | 34.4 Ų | 34.4 | 71% | 0.709 | 16% | 0.162 | S | C | * | . | S | Bend | trans | -78.5 | -26.5 | 171.2 | -68.8 | -178.3 | 177.5 | 169.5 | 1.2 | 111.5 | Y323 | Y323-R344 WeakPolarHBondContact CE2-O 3.35Š|
| 345 | A | 89.9 | Confident | 91.9 | Very high | 21 Ų | 21 | 29.4 Ų | 29.4 | 17% | 0.174 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -77.6 | 159.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y323 D343 I347 | Y323-A345 VanDerWaalsContact CD2-O 3.28Å; Y323-A345 WeakPolarHBondContact CD2-O 3.31Å; D343-A345 WeakPolarHBondContact OD1-CB 3.21Å; D343-A345 PolarHBondContact OD1-N 3.16Å; A345-I347 PolarHBondContact O-N 3.05Å |
| 346 | L | 90 | Very high | 91.8 | Very high | 50 Ų | 50 | 28.5 Ų | 28.5 | 26% | 0.262 | 13% | 0.133 | S | C | . | . | S | Bend | trans | -71 | -18 | 174.7 | -70.1 | 172.2 | 0 | 0 | 0 | 112.9 | I289 E297 Y323 | I289-L346 HydrophobicContact CD1-CB 3.59Å; I289-L346 HydrophobicContact CD1-CD1 4.05Å; I289-L346 HydrophobicContact CD1-CG 4.45Å; E297-L346 HydrophobicContact CG-CB 4.4Å; Y323-L346 HydrophobicContact CD1-CD2 4.08Å; Y323-L346 HydrophobicContact CD2-CD2 4.28Å; Y323-L346 HydrophobicContact CE1-CD2 3.52Å; Y323-L346 HydrophobicContact CE2-CD2 3.77Å; Y323-L346 HydrophobicContact CE2-CG 4.35Å; Y323-L346 HydrophobicContact CG-CD2 4.42Å |
| 347 | I | 89.5 | Confident | 91.8 | Very high | 12 Ų | 12 | 28.5 Ų | 28.5 | 6% | 0.062 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -110.3 | 114.5 | 178.1 | -59.8 | 169.6 | 0 | 0 | 0 | 106.5 | V287 I289 E297 A299 A345 Q349 | V287-I347 HydrophobicContact CB-CD1 4.09Å; V287-I347 HydrophobicContact CB-CG2 4.15Å; V287-I347 HydrophobicContact CG1-CD1 3.92Å; V287-I347 HydrophobicContact CG1-CG1 4.16Å; V287-I347 HydrophobicContact CG1-CG2 4.34Å; V287-I347 WeakPolarHBondContact O-CD1 3.28Å; I289-I347 HydrophobicContact CD1-CG1 4.12Å; I289-I347 HydrophobicContact CG1-CG1 4.43Å; E297-I347 HydrophobicContact CB-CD1 4.43Å; E297-I347 HydrophobicContact CG-CD1 3.78Å; E297-I347 HydrophobicContact CG-CG1 4.13Å; A299-I347 HydrophobicContact CB-CD1 4.24Å; A299-I347 HydrophobicContact CB-CG2 4.5Å; A345-I347 PolarHBondContact O-N 3.05Å; I347-Q349 PolarHBondContact O-N 3.41Å |
| 348 | T | 85 | Confident | 91.8 | Very high | 17 Ų | 17 | 28.5 Ų | 28.5 | 10% | 0.104 | 13% | 0.133 | C | C | . | . | trans | -62.6 | 124.8 | 173.3 | -53.1 | 0 | 0 | 0 | 0 | 110 | L325 R341 S352 | L325-T348 HydrophobicContact CD2-CG2 3.91Å; R341-T348 HydrophobicContact CB-CG2 4.43Å; T348-S352 WeakPolarHBondContact CG2-OG 3.47Å | ||
| 349 | Q | 85.6 | Confident | 91.7 | Very high | 83 Ų | 83 | 29.7 Ų | 29.7 | 39% | 0.388 | 14% | 0.138 | S | C | . | . | trans | -113.9 | 178.6 | -178.8 | -67.6 | 175.9 | 35.6 | 0 | 0 | 112.2 | D343 I347 M351 S352 | D343-Q349 PolarHBondContact OD2-N 3.24Å; D343-Q349 VanDerWaalsContact OD2-N 3.09Å; I347-Q349 PolarHBondContact O-N 3.41Å; Q349-M351 VanDerWaalsContact C-N 3.29Å; Q349-M351 PolarHBondContact O-N 3.49Å; Q349-S352 PolarHBondContact N-OG 3.39Å; Q349-S352 VanDerWaalsContact N-OG 3.15Å; Q349-S352 VanDerWaalsContact O-CB 3.29Å; Q349-S352 WeakPolarHBondContact O-CB 3.21Å; Q349-S352 PolarHBondContact O-N 3.34Å; Q349-S352 VanDerWaalsContact O-N 3.1Å; Q349-S352 PolarHBondContact O-OG 3.34Å | ||
| 350 | D | 80.7 | Confident | 91.7 | Very high | 49 Ų | 49 | 30.5 Ų | 30.5 | 26% | 0.262 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | -44.6 | 179.9 | -171.4 | 35.5 | 0 | 0 | 0 | 113.2 | E283 S352 | E283-D350 HydrophobicContact CB-CB 4.1Å; E283-D350 HydrophobicContact CG-CB 4.06Å; E283-D350 WeakPolarHBondContact OE2-CB 3.48Å; E283-D350 VanDerWaalsContact OE2-CG 3.32Å; D350-S352 PolarHBondContact O-N 3.3Å; D350-S352 VanDerWaalsContact O-N 3.14Å |
| 351 | M | 81.6 | Confident | 91.2 | Very high | 63 Ų | 63 | 40.6 Ų | 40.6 | 31% | 0.31 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | 14.4 | -177.8 | -63.6 | -60.5 | -62.9 | 0 | 0 | 114.5 | M1 Y2 E4 Q349 R353 | M1-M351 HydrophobicContact CB-CE 4.09Å; M1-M351 HydrophobicContact CB-SD 4.42Å; M1-M351 WeakPolarHBondContact O-CE 3.41Å; Y2-M351 HydrophobicContact CD2-CE 4.11Å; Y2-M351 HydrophobicContact CD2-SD 3.71Å; Y2-M351 HydrophobicContact CE2-SD 4.33Å; E4-M351 HydrophobicContact CB-CE 4.37Å; Q349-M351 VanDerWaalsContact C-N 3.29Å; Q349-M351 PolarHBondContact O-N 3.49Å; M351-R353 PolarHBondContact O-N 2.87Å |
| 352 | S | 85.6 | Confident | 91 | Very high | 2 Ų | 2 | 41.8 Ų | 41.8 | 1% | 0.014 | 20% | 0.196 | C | C | . | . | P | Polyproline II helix | trans | -59.6 | 139.6 | 177.8 | -63.4 | 0 | 0 | 0 | 0 | 111 | Y6 D343 T348 Q349 D350 | Y6-S352 WeakPolarHBondContact CD2-O 3.16Å; Y6-S352 WeakPolarHBondContact CE2-O 3.24Å; D343-S352 PolarHBondContact OD2-OG 2.78Å; D343-S352 VanDerWaalsContact OD2-OG 3.09Å; T348-S352 WeakPolarHBondContact CG2-OG 3.47Å; Q349-S352 PolarHBondContact N-OG 3.39Å; Q349-S352 VanDerWaalsContact N-OG 3.15Å; Q349-S352 VanDerWaalsContact O-CB 3.29Å; Q349-S352 WeakPolarHBondContact O-CB 3.21Å; Q349-S352 PolarHBondContact O-N 3.34Å; Q349-S352 VanDerWaalsContact O-N 3.1Å; Q349-S352 PolarHBondContact O-OG 3.34Å; D350-S352 PolarHBondContact O-N 3.3Å; D350-S352 VanDerWaalsContact O-N 3.14Å |
| 353 | R | 92.3 | Very high | 90.9 | Very high | 45 Ų | 45 | 43.3 Ų | 43.3 | 17% | 0.17 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 130 | -178.2 | -74.4 | 170.8 | -70.2 | 147.4 | 5.2 | 110.3 | P5 Y6 C8 S322 R341 E342 M351 Y355 | P5-R353 WeakPolarHBondContact O-CG 3.45Å; Y6-R353 CarbonylContact O-C 3.46Å; Y6-R353 WeakPolarHBondContact O-CA 3.45Å; C8-R353 VanDerWaalsContact SG-CG 3.59Å; S322-R353 PolarHBondContact OG-NH2 3.2Å; R341-R353 CarbonylContact C-O 3.55Å; R341-R353 VanDerWaalsContact CA-O 3.27Å; R341-R353 WeakPolarHBondContact CA-O 3.41Å; E342-R353 PolarHBondContact N-O 3.25Å; E342-R353 PolarHBondContact O-N 2.99Å; E342-R353 IonicContact OE2-NH2 2.78Å; M351-R353 PolarHBondContact O-N 2.87Å; R353-Y355 HydrophobicContact CB-CD2 4.22Å; R353-Y355 HydrophobicContact CB-CE2 3.7Å; R353-Y355 PolarHBondContact NH1-OH 2.98Å; R353-Y355 VanDerWaalsContact NH1-OH 3.13Å |
| 354 | F | 94.7 | Very high | 90.8 | Very high | 2 Ų | 2 | 44.3 Ų | 44.3 | 1% | 0.009 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 130.2 | 172 | -158.9 | -71.8 | 0 | 0 | 0 | 110 | Y6 W7 C8 E101 A102 I340 R341 | Y6-F354 PolarHBondContact O-N 3.15Å; W7-F354 HydrophobicContact CE3-CB 4.19Å; W7-F354 AromaticContact CE3-CD1 3.61Å; W7-F354 HydrophobicContact CE3-CD1 3.61Å; W7-F354 HydrophobicContact CE3-CE1 4.33Å; W7-F354 HydrophobicContact CE3-CG 4.12Å; W7-F354 HydrophobicContact CH2-CD1 4.11Å; W7-F354 HydrophobicContact CH2-CE1 4.23Å; W7-F354 AromaticContact CZ3-CD1 3.2Å; W7-F354 HydrophobicContact CZ3-CD1 3.2Å; W7-F354 AromaticContact CZ3-CE1 3.5Å; W7-F354 HydrophobicContact CZ3-CE1 3.5Å; W7-F354 HydrophobicContact CZ3-CG 4.1Å; C8-F354 PolarHBondContact N-O 2.92Å; E101-F354 HydrophobicContact CB-CD2 3.86Å; E101-F354 HydrophobicContact CB-CE2 3.89Å; E101-F354 HydrophobicContact CB-CG 4.19Å; E101-F354 HydrophobicContact CB-CZ 4.26Å; A102-F354 HydrophobicContact CB-CE2 4.23Å; A102-F354 HydrophobicContact CB-CZ 3.9Å; I340-F354 WeakPolarHBondContact O-CA 3.35Å; R341-F354 HydrophobicContact CG-CD2 4.3Å |
| 355 | Y | 95.6 | Very high | 90.8 | Very high | 8 Ų | 8 | 35.9 Ų | 35.9 | 3% | 0.031 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 137.7 | 176.1 | -80.2 | -93 | 0 | 0 | 0 | 110.5 | C8 D10 A11 Y13 I340 E342 R353 | C8-Y355 HydrophobicContact CB-CD1 3.98Å; C8-Y355 HydrophobicContact CB-CD2 4.27Å; C8-Y355 HydrophobicContact CB-CE1 3.55Å; C8-Y355 HydrophobicContact CB-CE2 3.87Å; C8-Y355 HydrophobicContact CB-CG 4.32Å; C8-Y355 VanDerWaalsContact CB-CZ 3.48Å; D10-Y355 WeakPolarHBondContact OD1-CE1 3.44Å; D10-Y355 PolarHBondContact OD1-OH 3.32Å; A11-Y355 HydrophobicContact CB-CD1 4.21Å; A11-Y355 HydrophobicContact CB-CE1 3.97Å; A11-Y355 WeakPolarHBondContact O-CD1 3.35Å; Y13-Y355 HydrophobicContact CE2-CG 4.31Å; I340-Y355 PolarHBondContact O-N 3.13Å; E342-Y355 HydrophobicContact CB-CD2 3.94Å; E342-Y355 HydrophobicContact CB-CE2 3.83Å; E342-Y355 HydrophobicContact CG-CD2 3.74Å; E342-Y355 HydrophobicContact CG-CE2 3.9Å; E342-Y355 WeakPolarHBondContact OE2-CE2 3.36Å; R353-Y355 HydrophobicContact CB-CD2 4.22Å; R353-Y355 HydrophobicContact CB-CE2 3.7Å; R353-Y355 PolarHBondContact NH1-OH 2.98Å; R353-Y355 VanDerWaalsContact NH1-OH 3.13Å |
| 356 | P | 97.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 18% | 0.177 | C | C | . | . | trans | -70 | 159.8 | 175.2 | 27.6 | -32.7 | 0 | 0 | 0 | 111.4 | W7 C8 Y12 Y13 Q106 W109 | W7-P356 HydrophobicContact CH2-CB 3.89Å; W7-P356 HydrophobicContact CH2-CG 4.47Å; W7-P356 HydrophobicContact CZ2-CB 3.99Å; W7-P356 HydrophobicContact CZ2-CG 4.21Å; C8-P356 WeakPolarHBondContact O-CD 3.38Å; Y12-P356 VanDerWaalsContact CA-O 3.32Å; Y12-P356 WeakPolarHBondContact CA-O 3.28Å; Y12-P356 WeakPolarHBondContact CB-O 3.48Å; Y13-P356 PolarHBondContact N-O 3.45Å; Q106-P356 HydrophobicContact CG-CB 4.41Å; W109-P356 HydrophobicContact CD2-CB 3.42Å; W109-P356 VanDerWaalsContact CD2-CB 3.42Å; W109-P356 HydrophobicContact CD2-CG 3.65Å; W109-P356 HydrophobicContact CE3-CB 3.39Å; W109-P356 HydrophobicContact CE3-CG 4.08Å; W109-P356 HydrophobicContact CG-CB 4.04Å; W109-P356 HydrophobicContact CG-CG 4.16Å; W109-P356 HydrophobicContact CH2-CB 3.94Å; W109-P356 HydrophobicContact CH2-CG 4.05Å; W109-P356 HydrophobicContact CZ2-CB 3.96Å; W109-P356 HydrophobicContact CZ2-CG 3.61Å; W109-P356 HydrophobicContact CZ3-CB 3.66Å; W109-P356 HydrophobicContact CZ3-CG 4.27Å | ||
| 357 | H | 97.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 158.5 | 171.1 | 78.9 | -79.1 | 0 | 0 | 0 | 112.2 | Y13 L15 Q106 Q125 F126 I338 I340 | Y13-H357 CarbonylContact O-C 3.59Å; Y13-H357 VanDerWaalsContact O-CA 3.26Å; Y13-H357 WeakPolarHBondContact O-CA 3.44Å; L15-H357 HydrophobicContact CD1-CB 3.97Å; Q106-H357 PolarHBondContact NE2-CE1 3.21Å; Q106-H357 VanDerWaalsContact NE2-CE1 3.29Å; Q106-H357 PolarHBondContact NE2-ND1 2.83Å; Q106-H357 PolarHBondContact OE1-ND1 2.97Å; Q125-H357 VanDerWaalsContact CG-CE1 3.41Å; Q125-H357 WeakPolarHBondContact CG-CE1 3.19Å; Q125-H357 WeakPolarHBondContact CG-NE2 3.38Å; Q125-H357 PolarHBondContact NE2-O 2.71Å; F126-H357 PolarHBondContact N-NE2 3.5Å; F126-H357 PolarHBondContact O-CE1 2.76Å; F126-H357 PolarHBondContact O-NE2 3.02Å; I338-H357 WeakPolarHBondContact CG1-CE1 3.35Å; I338-H357 WeakPolarHBondContact CG1-NE2 3.35Å; I338-H357 PolarHBondContact O-CE1 2.86Å; I340-H357 HydrophobicContact CD1-CB 3.72Å |
| 358 | I | 98 | Very high | 91 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 162 | 162.4 | 66.5 | 169.1 | 0 | 0 | 0 | 108.8 | Y12 Y13 K14 L15 W109 L110 L119 D124 V360 | Y12-I358 HydrophobicContact CD2-CD1 4.23Å; Y12-I358 HydrophobicContact CD2-CG1 3.93Å; Y12-I358 HydrophobicContact CE2-CD1 3.55Å; Y12-I358 HydrophobicContact CE2-CG1 3.73Å; Y13-I358 PolarHBondContact O-N 3.22Å; K14-I358 HydrophobicContact CB-CG1 4.29Å; K14-I358 HydrophobicContact CG-CD1 4.31Å; K14-I358 HydrophobicContact CG-CG1 4.21Å; L15-I358 PolarHBondContact N-O 3.29Å; W109-I358 HydrophobicContact CH2-CG2 3.77Å; W109-I358 HydrophobicContact CZ3-CG2 3.58Å; L110-I358 HydrophobicContact CD1-CG2 3.95Å; L119-I358 HydrophobicContact CD1-CG2 4.02Å; L119-I358 HydrophobicContact CD2-CD1 4.41Å; L119-I358 HydrophobicContact CD2-CG2 4.38Å; D124-I358 CarbonylContact O-C 3.59Å; D124-I358 WeakPolarHBondContact O-CA 3.13Å; D124-I358 WeakPolarHBondContact O-CB 3.44Å; I358-V360 HydrophobicContact CD1-CG1 4.24Å |
| 359 | F | 97.3 | Very high | 91.5 | Very high | 26 Ų | 26 | 39.2 Ų | 39.2 | 11% | 0.114 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 158.6 | 155.1 | 75.2 | -91.8 | 0 | 0 | 0 | 110.6 | L15 L17 V20 D124 Q125 | L15-F359 HydrophobicContact CB-CB 4.14Å; L15-F359 VanDerWaalsContact O-CA 3.26Å; L15-F359 WeakPolarHBondContact O-CA 3.4Å; L17-F359 HydrophobicContact CB-CD2 4.43Å; L17-F359 HydrophobicContact CD1-CD2 4.29Å; L17-F359 HydrophobicContact CD1-CE2 3.97Å; V20-F359 HydrophobicContact CG2-CB 3.6Å; V20-F359 HydrophobicContact CG2-CD1 3.99Å; V20-F359 HydrophobicContact CG2-CG 3.86Å; D124-F359 HydrophobicContact CB-CD1 4.36Å; D124-F359 HydrophobicContact CB-CE1 3.69Å; D124-F359 HydrophobicContact CB-CE2 4.13Å; D124-F359 HydrophobicContact CB-CZ 3.55Å; D124-F359 PolarHBondContact N-O 3.05Å; D124-F359 PolarHBondContact O-N 3.14Å; Q125-F359 VanDerWaalsContact C-CE1 3.43Å |
| 360 | V | 95.7 | Very high | 92 | Very high | 19 Ų | 19 | 35.6 Ų | 35.6 | 12% | 0.115 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 154.8 | 167.7 | -58.8 | 0 | 0 | 0 | 0 | 108.5 | K14 L15 T16 L17 P120 I358 | K14-V360 HydrophobicContact CD-CG2 4.47Å; L15-V360 PolarHBondContact O-N 2.67Å; L15-V360 VanDerWaalsContact O-N 3.07Å; T16-V360 CarbonylContact C-O 3.56Å; T16-V360 WeakPolarHBondContact CA-O 3.4Å; L17-V360 PolarHBondContact N-O 3.36Å; P120-V360 HydrophobicContact CB-CG1 4.36Å; I358-V360 HydrophobicContact CD1-CG1 4.24Å |
| 361 | E | 87.7 | Confident | 93 | Very high | 213 Ų | 213 | 34.4 Ų | 34.4 | 100% | 0.995 | 16% | 0.16 | S | C | * | . | trans | -63 | 0 | 173.5 | -65.9 | -169.4 | 167 | 0 | 0 | 113.8 | L17 | L17-E361 HydrophobicContact CD2-CG 4.33Š|
Retrieved 361 of 361 residues in 277.4 ms
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