| 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 | 57.7 | Low | 90.8 | Very high | 161 Ų | 161 | 25.3 Ų | 25.3 | 79% | 0.793 | 13% | 0.132 | S | C | * | . | 0 | 107.9 | 0 | -86.4 | -152.9 | -83.4 | 0 | 0 | 108.7 | K325 N377 | M1-K325 VanDerWaalsContact O-CE 3.24Å; M1-K325 WeakPolarHBondContact O-CE 3.21Å; M1-K325 PolarHBondContact O-NZ 3.38Å; M1-K325 VanDerWaalsContact O-NZ 3.13Å; M1-N377 WeakPolarHBondContact CA-OD1 3.31Å; M1-N377 WeakPolarHBondContact CB-OD1 3.3Å; M1-N377 WeakPolarHBondContact CG-OD1 3.49Å; M1-N377 HydrophobicContact SD-CB 3.94Å; M1-N377 PolarHBondContact SD-OD1 3.41Å; M1-N377 VanDerWaalsContact SD-OD1 3.33Å | |||
| 2 | T | 83.3 | Confident | 90 | Very high | 33 Ų | 33 | 31.5 Ų | 31.5 | 20% | 0.202 | 16% | 0.16 | C | C | . | . | trans | -118.1 | 110.4 | -150.6 | -46.4 | 0 | 0 | 0 | 0 | 109.5 | F4 V99 Q322 C376 N377 | T2-F4 HydrophobicContact CG2-CD2 4.2Å; T2-F4 HydrophobicContact CG2-CE1 4.32Å; T2-F4 HydrophobicContact CG2-CE2 3.45Å; T2-F4 VanDerWaalsContact CG2-CE2 3.45Å; T2-F4 HydrophobicContact CG2-CZ 3.52Å; T2-V99 HydrophobicContact CG2-CG2 3.76Å; T2-Q322 HydrophobicContact CG2-CG 4.08Å; T2-C376 WeakPolarHBondContact O-CB 3.42Å; T2-C376 PolarHBondContact O-N 3.35Å; T2-N377 PolarHBondContact N-OD1 2.96Å | ||
| 3 | E | 91.4 | Very high | 89.4 | Confident | 46 Ų | 46 | 42 Ų | 42 | 22% | 0.215 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 137.2 | 173.2 | 172.6 | 174.5 | 171.3 | 0 | 0 | 108.6 | W5 P323 K373 | E3-W5 PolarHBondContact OE1-NE1 3.21Å; E3-P323 VanDerWaalsContact O-CD 3.26Å; E3-P323 WeakPolarHBondContact O-CD 3.14Å; E3-K373 HydrophobicContact CG-CD 4.33Å; E3-K373 HydrophobicContact CG-CG 4.18Å; E3-K373 WeakPolarHBondContact OE1-CD 3.49Å; E3-K373 WeakPolarHBondContact OE1-CE 3.48Å; E3-K373 IonicContact OE1-NZ 2.83Å; E3-K373 PolarHBondContact OE1-NZ 3.05Å; E3-K373 WeakPolarHBondContact OE2-CE 3.28Å; E3-K373 IonicContact OE2-NZ 2.67Å; E3-K373 PolarHBondContact OE2-NZ 3.34Å |
| 4 | F | 96.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 146 | 170.6 | -62 | -89.8 | 0 | 0 | 0 | 111 | T2 V99 I102 T103 L320 L321 Q322 I374 | T2-F4 HydrophobicContact CG2-CD2 4.2Å; T2-F4 HydrophobicContact CG2-CE1 4.32Å; T2-F4 HydrophobicContact CG2-CE2 3.45Å; T2-F4 VanDerWaalsContact CG2-CE2 3.45Å; T2-F4 HydrophobicContact CG2-CZ 3.52Å; F4-V99 HydrophobicContact CE2-CG2 4.23Å; F4-V99 HydrophobicContact CZ-CB 4.24Å; F4-V99 HydrophobicContact CZ-CG1 3.99Å; F4-V99 HydrophobicContact CZ-CG2 4.08Å; F4-I102 HydrophobicContact CD2-CD1 3.85Å; F4-I102 HydrophobicContact CD2-CG2 4.41Å; F4-I102 HydrophobicContact CE2-CD1 3.85Å; F4-I102 HydrophobicContact CG-CG2 4.38Å; F4-T103 HydrophobicContact CE1-CG2 3.77Å; F4-T103 HydrophobicContact CZ-CG2 4.18Å; F4-L320 HydrophobicContact CB-CD1 3.82Å; F4-L320 HydrophobicContact CB-CG 4.37Å; F4-L320 HydrophobicContact CD1-CD1 4.18Å; F4-L320 HydrophobicContact CD1-CD2 3.71Å; F4-L320 HydrophobicContact CD1-CG 3.88Å; F4-L320 HydrophobicContact CE1-CD2 4.04Å; F4-L320 HydrophobicContact CG-CD1 4.26Å; F4-L320 HydrophobicContact CG-CD2 4.46Å; F4-L320 HydrophobicContact CG-CG 4.46Å; F4-L321 CarbonylContact C-O 3.36Å; F4-L321 WeakPolarHBondContact CA-O 3.3Å; F4-Q322 HydrophobicContact CD1-CB 3.82Å; F4-Q322 HydrophobicContact CD1-CG 4.22Å; F4-Q322 HydrophobicContact CE1-CB 3.73Å; F4-Q322 HydrophobicContact CE1-CG 3.89Å; F4-Q322 HydrophobicContact CZ-CG 4.47Å; F4-I374 HydrophobicContact CB-CB 4.27Å; F4-I374 PolarHBondContact N-O 2.67Å; F4-I374 PolarHBondContact O-N 3.04Å |
| 5 | W | 96.6 | Very high | 89.7 | Confident | 6 Ų | 6 | 43.1 Ų | 43.1 | 2% | 0.023 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 110.9 | 171.1 | -63.7 | -3.8 | 0 | 0 | 0 | 107.8 | E3 I7 L321 P323 L328 L331 R332 L335 Y371 | E3-W5 PolarHBondContact OE1-NE1 3.21Å; W5-I7 HydrophobicContact CB-CG2 4.33Å; W5-L321 HydrophobicContact CB-CB 4.25Å; W5-L321 PolarHBondContact N-O 2.75Å; W5-L321 PolarHBondContact O-N 3.23Å; W5-P323 HydrophobicContact CD2-CG 3.49Å; W5-P323 VanDerWaalsContact CD2-CG 3.49Å; W5-P323 VanDerWaalsContact CE2-CG 3.48Å; W5-P323 HydrophobicContact CE3-CG 4.03Å; W5-P323 HydrophobicContact CG-CG 3.74Å; W5-P323 HydrophobicContact CH2-CG 4.41Å; W5-P323 HydrophobicContact CZ2-CB 4.4Å; W5-P323 HydrophobicContact CZ2-CG 3.97Å; W5-P323 HydrophobicContact CZ3-CG 4.47Å; W5-L328 HydrophobicContact CH2-CD2 4.07Å; W5-L328 HydrophobicContact CZ2-CD2 3.62Å; W5-L331 HydrophobicContact CE3-CD2 3.73Å; W5-L331 HydrophobicContact CE3-CG 4.27Å; W5-L331 HydrophobicContact CH2-CB 4.46Å; W5-L331 HydrophobicContact CH2-CD2 3.88Å; W5-L331 HydrophobicContact CH2-CG 4.25Å; W5-L331 HydrophobicContact CZ3-CB 4.23Å; W5-L331 HydrophobicContact CZ3-CD2 3.34Å; W5-L331 HydrophobicContact CZ3-CG 3.59Å; W5-R332 HydrophobicContact CH2-CG 3.79Å; W5-R332 HydrophobicContact CZ3-CG 4.2Å; W5-L335 HydrophobicContact CE3-CD1 3.91Å; W5-L335 HydrophobicContact CZ3-CD1 3.86Å; W5-Y371 HydrophobicContact CB-CD2 4.4Å; W5-Y371 HydrophobicContact CB-CE2 3.73Å; W5-Y371 AromaticContact CD1-CE2 3.84Å; W5-Y371 AromaticContact CD2-CE2 3.84Å; W5-Y371 HydrophobicContact CD2-CE2 3.84Å; W5-Y371 HydrophobicContact CE3-CE2 4.33Å; W5-Y371 AromaticContact CG-CE2 3.53Å; W5-Y371 HydrophobicContact CG-CE2 3.53Å; W5-Y371 PolarHBondContact NE1-OH 2.69Å |
| 6 | L | 97.9 | Very high | 90 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 113.9 | 171.7 | -179.5 | 61.1 | 0 | 0 | 0 | 107.9 | F38 K298 V302 L320 Y372 I374 | L6-F38 HydrophobicContact CD1-CB 3.72Å; L6-F38 HydrophobicContact CD1-CD1 3.7Å; L6-F38 HydrophobicContact CD1-CD2 3.79Å; L6-F38 HydrophobicContact CD1-CE1 4.23Å; L6-F38 HydrophobicContact CD1-CE2 4.3Å; L6-F38 HydrophobicContact CD1-CG 3.44Å; L6-F38 VanDerWaalsContact CD1-CG 3.44Å; L6-F38 HydrophobicContact CD1-CZ 4.5Å; L6-F38 HydrophobicContact CD2-CD1 4.48Å; L6-F38 HydrophobicContact CD2-CE1 4.23Å; L6-F38 HydrophobicContact CD2-CZ 4.28Å; L6-K298 HydrophobicContact CD2-CB 3.92Å; L6-V302 HydrophobicContact CD1-CG2 4.44Å; L6-V302 HydrophobicContact CD2-CG2 3.43Å; L6-V302 VanDerWaalsContact CD2-CG2 3.43Å; L6-V302 HydrophobicContact CG-CG2 3.58Å; L6-L320 HydrophobicContact CB-CD1 4.34Å; L6-L320 HydrophobicContact CD1-CD1 4.31Å; L6-Y372 PolarHBondContact N-O 2.64Å; L6-Y372 PolarHBondContact O-N 2.88Å; L6-I374 HydrophobicContact CB-CD1 4.12Å; L6-I374 HydrophobicContact CD2-CD1 4.31Å |
| 7 | I | 97.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 160.3 | -177.1 | 75.2 | 173 | 0 | 0 | 0 | 111.4 | W5 L22 A318 M319 L321 L335 Y339 Y369 V370 Y371 | W5-I7 HydrophobicContact CB-CG2 4.33Å; I7-L22 HydrophobicContact CD1-CD1 3.87Å; I7-L22 HydrophobicContact CD1-CD2 4.13Å; I7-A318 CarbonylContact O-C 3.13Å; I7-A318 WeakPolarHBondContact O-CA 3.26Å; I7-M319 HydrophobicContact CD1-CE 4.41Å; I7-M319 HydrophobicContact CG1-CB 4.14Å; I7-M319 HydrophobicContact CG1-CE 4.36Å; I7-M319 PolarHBondContact N-O 3.04Å; I7-M319 PolarHBondContact O-N 3.46Å; I7-L321 HydrophobicContact CD1-CD1 3.57Å; I7-L321 HydrophobicContact CD1-CD2 4.34Å; I7-L321 HydrophobicContact CG1-CD1 3.6Å; I7-L321 HydrophobicContact CG2-CD1 4.41Å; I7-L335 HydrophobicContact CD1-CD2 4.07Å; I7-Y339 HydrophobicContact CD1-CE2 4.5Å; I7-Y369 HydrophobicContact CB-CD2 3.95Å; I7-Y369 HydrophobicContact CB-CE2 4.19Å; I7-Y369 HydrophobicContact CG2-CD2 4.02Å; I7-Y369 HydrophobicContact CG2-CE2 3.75Å; I7-V370 CarbonylContact C-O 3.58Å; I7-V370 WeakPolarHBondContact CA-O 3.46Å; I7-V370 WeakPolarHBondContact CB-O 3.26Å; I7-Y371 HydrophobicContact CG2-CD2 3.9Å |
| 8 | S | 97.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 140.8 | 169.8 | 171.2 | 0 | 0 | 0 | 0 | 110.9 | S306 Y310 F316 Q317 V370 | S8-S306 WeakPolarHBondContact CB-OG 3.38Å; S8-S306 PolarHBondContact OG-OG 3.27Å; S8-Y310 PolarHBondContact O-OH 2.91Å; S8-F316 WeakPolarHBondContact OG-CD2 3.33Å; S8-Q317 WeakPolarHBondContact CA-O 3.12Å; S8-V370 PolarHBondContact N-O 3.24Å; S8-V370 PolarHBondContact O-N 3.47Å; S8-V370 VanDerWaalsContact O-N 3.16Å |
| 9 | A | 96.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 151 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | T18 F316 Q317 M319 Y339 | A9-T18 HydrophobicContact CB-CG2 3.83Å; A9-F316 CarbonylContact O-C 3.55Å; A9-F316 WeakPolarHBondContact O-CA 2.89Å; A9-Q317 PolarHBondContact N-O 2.87Å; A9-Q317 PolarHBondContact O-N 2.86Å; A9-M319 HydrophobicContact CB-CE 4.23Å; A9-Y339 HydrophobicContact CB-CD1 3.99Å; A9-Y339 HydrophobicContact CB-CE1 3.39Å; A9-Y339 HydrophobicContact CB-CE2 4.5Å |
| 10 | P | 94.7 | Very high | 91 | Very high | 29 Ų | 29 | 47.2 Ų | 47.2 | 19% | 0.188 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 148.8 | -178.8 | 29.2 | -33.3 | 0 | 0 | 0 | 110.9 | E12 T18 Y310 N315 L342 | P10-E12 PolarHBondContact O-N 3.22Å; P10-E12 VanDerWaalsContact O-N 3.1Å; P10-T18 PolarHBondContact O-OG1 3.21Å; P10-T18 VanDerWaalsContact O-OG1 3.12Å; P10-Y310 HydrophobicContact CB-CD1 4.09Å; P10-Y310 HydrophobicContact CB-CD2 4.23Å; P10-Y310 HydrophobicContact CB-CG 3.9Å; P10-Y310 HydrophobicContact CG-CD1 4.09Å; P10-Y310 HydrophobicContact CG-CE1 4.22Å; P10-Y310 HydrophobicContact CG-CG 4.39Å; P10-N315 WeakPolarHBondContact CA-O 3.47Å; P10-L342 HydrophobicContact CG-CD1 4.19Å; P10-L342 HydrophobicContact CG-CD2 3.56Å |
| 11 | G | 89.3 | Confident | 91.2 | Very high | 3 Ų | 3 | 48.5 Ų | 48.5 | 3% | 0.031 | 24% | 0.237 | C | C | . | . | trans | -71.4 | 98.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | K13 T18 N315 | G11-K13 PolarHBondContact O-N 3.4Å; G11-T18 WeakPolarHBondContact CA-OG1 3.25Å; G11-N315 WeakPolarHBondContact CA-OD1 3.24Å; G11-N315 PolarHBondContact N-O 3.36Å; G11-N315 PolarHBondContact O-ND2 3.42Å | ||
| 12 | E | 81.1 | Confident | 93 | Very high | 100 Ų | 100 | 40.8 Ų | 40.8 | 47% | 0.467 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -53 | -51.6 | -177.8 | -70.5 | 179.8 | -167.2 | 0 | 0 | 112.5 | P10 T18 K21 | P10-E12 PolarHBondContact O-N 3.22Å; P10-E12 VanDerWaalsContact O-N 3.1Å; E12-T18 PolarHBondContact N-OG1 3.34Å; E12-K21 IonicContact OE1-NZ 3.64Å; E12-K21 PolarHBondContact OE1-NZ 3.45Å; E12-K21 IonicContact OE2-NZ 2.7Å |
| 13 | K | 83.1 | Confident | 93.5 | Very high | 168 Ų | 168 | 42.9 Ų | 42.9 | 73% | 0.73 | 21% | 0.206 | S | C | * | . | S | Bend | trans | -122 | -38.8 | 166.5 | -51 | -178.7 | 179.4 | 173.5 | 0 | 111.6 | G11 Q17 | G11-K13 PolarHBondContact O-N 3.4Å; K13-Q17 VanDerWaalsContact CB-OE1 3.31Å |
| 14 | T | 90.5 | Very high | 93.7 | Very high | 63 Ų | 63 | 42.3 Ų | 42.3 | 39% | 0.387 | 21% | 0.21 | S | C | . | . | trans | -144.8 | 155.3 | 172 | 67.6 | 0 | 0 | 0 | 0 | 109.6 | Q16 Q17 T18 | T14-Q16 PolarHBondContact O-N 3.47Å; T14-Q17 PolarHBondContact O-N 3.22Å; T14-Q17 WeakPolarHBondContact OG1-CG 3.4Å; T14-Q17 PolarHBondContact OG1-N 3.3Å; T14-Q17 VanDerWaalsContact OG1-N 3.16Å; T14-T18 PolarHBondContact O-N 3.48Å; T14-T18 PolarHBondContact O-OG1 3.31Å | ||
| 15 | C | 93 | Very high | 93.5 | Very high | 38 Ų | 38 | 43.2 Ų | 43.2 | 26% | 0.257 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -58.2 | -33.6 | 171.9 | -59.5 | 0 | 0 | 0 | 0 | 111.8 | T18 W19 F316 Q317 | C15-T18 PolarHBondContact O-N 3.07Å; C15-W19 PolarHBondContact O-N 2.91Å; C15-F316 PolarHBondContact SG-O 3.21Å; C15-Q317 HydrophobicContact CB-CB 3.98Å; C15-Q317 HydrophobicContact CB-CG 4.47Å; C15-Q317 PolarHBondContact O-OE1 2.9Å |
| 16 | Q | 94 | Very high | 93.4 | Very high | 79 Ų | 79 | 42.9 Ų | 42.9 | 37% | 0.369 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -62.1 | -44.4 | 177.1 | -179.6 | 62.1 | 24.6 | 0 | 0 | 112.7 | T14 T18 W19 E20 | T14-Q16 PolarHBondContact O-N 3.47Å; Q16-T18 VanDerWaalsContact C-N 3.32Å; Q16-T18 PolarHBondContact O-N 3.13Å; Q16-W19 WeakPolarHBondContact O-CB 3.5Å; Q16-W19 PolarHBondContact O-N 2.7Å; Q16-E20 WeakPolarHBondContact CG-OE1 3.31Å; Q16-E20 PolarHBondContact NE2-OE1 2.92Å; Q16-E20 WeakPolarHBondContact O-CG 3.43Å; Q16-E20 PolarHBondContact O-N 3.38Å |
| 17 | Q | 94.1 | Very high | 92.9 | Very high | 81 Ų | 81 | 44.7 Ų | 44.7 | 38% | 0.379 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -66.9 | -36.8 | 178.5 | -74.7 | 178.6 | 8.9 | 0 | 0 | 111.9 | K13 T14 W19 E20 K21 | K13-Q17 VanDerWaalsContact CB-OE1 3.31Å; T14-Q17 PolarHBondContact O-N 3.22Å; T14-Q17 WeakPolarHBondContact OG1-CG 3.4Å; T14-Q17 PolarHBondContact OG1-N 3.3Å; T14-Q17 VanDerWaalsContact OG1-N 3.16Å; Q17-W19 VanDerWaalsContact C-N 3.3Å; Q17-W19 PolarHBondContact O-N 3.34Å; Q17-E20 PolarHBondContact O-N 3.01Å; Q17-K21 WeakPolarHBondContact O-CB 3.26Å; Q17-K21 PolarHBondContact O-N 2.77Å |
| 18 | T | 95.3 | Very high | 92.1 | Very high | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.012 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.8 | -42 | 175.3 | -55.3 | 0 | 0 | 0 | 0 | 110.9 | A9 P10 G11 E12 T14 C15 Q16 L22 Q317 M319 | A9-T18 HydrophobicContact CB-CG2 3.83Å; P10-T18 PolarHBondContact O-OG1 3.21Å; P10-T18 VanDerWaalsContact O-OG1 3.12Å; G11-T18 WeakPolarHBondContact CA-OG1 3.25Å; E12-T18 PolarHBondContact N-OG1 3.34Å; T14-T18 PolarHBondContact O-N 3.48Å; T14-T18 PolarHBondContact O-OG1 3.31Å; C15-T18 PolarHBondContact O-N 3.07Å; Q16-T18 VanDerWaalsContact C-N 3.32Å; Q16-T18 PolarHBondContact O-N 3.13Å; T18-L22 PolarHBondContact O-N 3.16Å; T18-L22 VanDerWaalsContact O-N 3.16Å; T18-Q317 HydrophobicContact CG2-CB 4.26Å; T18-M319 HydrophobicContact CG2-CE 4.23Å |
| 19 | W | 95.7 | Very high | 91 | Very high | 35 Ų | 35 | 56.4 Ų | 56.4 | 13% | 0.133 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.5 | -51.4 | 172 | 164.6 | -106.6 | 0 | 0 | 0 | 112.5 | C15 Q16 Q17 K21 L22 H23 T35 S36 K37 Q317 M319 | C15-W19 PolarHBondContact O-N 2.91Å; Q16-W19 WeakPolarHBondContact O-CB 3.5Å; Q16-W19 PolarHBondContact O-N 2.7Å; Q17-W19 VanDerWaalsContact C-N 3.3Å; Q17-W19 PolarHBondContact O-N 3.34Å; W19-K21 VanDerWaalsContact C-N 3.31Å; W19-K21 PolarHBondContact O-N 3.16Å; W19-L22 PolarHBondContact O-N 3.05Å; W19-H23 HydrophobicContact CZ2-CB 4.22Å; W19-H23 VanDerWaalsContact O-CB 3.28Å; W19-H23 WeakPolarHBondContact O-CB 3.47Å; W19-H23 PolarHBondContact O-N 2.62Å; W19-T35 WeakPolarHBondContact CH2-OG1 3.46Å; W19-S36 VanDerWaalsContact CH2-C 3.5Å; W19-S36 VanDerWaalsContact CZ3-C 3.45Å; W19-S36 WeakPolarHBondContact CZ3-O 3.19Å; W19-K37 HydrophobicContact CD2-CD 4.42Å; W19-K37 HydrophobicContact CD2-CG 3.68Å; W19-K37 HydrophobicContact CE3-CG 3.81Å; W19-K37 HydrophobicContact CG-CD 4.39Å; W19-K37 VanDerWaalsContact CG-CE 3.41Å; W19-K37 HydrophobicContact CG-CG 4.12Å; W19-K37 HydrophobicContact CH2-CG 4.45Å; W19-K37 HydrophobicContact CZ2-CG 4.35Å; W19-K37 HydrophobicContact CZ3-CG 4.2Å; W19-Q317 HydrophobicContact CB-CG 4.1Å; W19-M319 HydrophobicContact CB-SD 4.45Å; W19-M319 HydrophobicContact CE3-CB 4.44Å; W19-M319 HydrophobicContact CE3-CG 3.75Å; W19-M319 HydrophobicContact CE3-SD 3.74Å; W19-M319 HydrophobicContact CZ3-CB 4.38Å; W19-M319 HydrophobicContact CZ3-CG 4.17Å; W19-M319 HydrophobicContact CZ3-SD 4.45Å |
| 20 | E | 95.4 | Very high | 90.1 | Very high | 99 Ų | 99 | 63.3 Ų | 63.3 | 46% | 0.463 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -61.1 | -40.1 | -178.7 | -73.9 | 168.4 | -173.7 | 0 | 0 | 112.1 | Q16 Q17 H23 A24 | Q16-E20 WeakPolarHBondContact CG-OE1 3.31Å; Q16-E20 PolarHBondContact NE2-OE1 2.92Å; Q16-E20 WeakPolarHBondContact O-CG 3.43Å; Q16-E20 PolarHBondContact O-N 3.38Å; Q17-E20 PolarHBondContact O-N 3.01Å; E20-H23 PolarHBondContact O-N 3.4Å; E20-A24 VanDerWaalsContact O-CB 3.23Å; E20-A24 WeakPolarHBondContact O-CB 3.31Å; E20-A24 PolarHBondContact O-N 3.02Å |
| 21 | K | 94.9 | Very high | 89.7 | Confident | 75 Ų | 75 | 67.3 Ų | 67.3 | 33% | 0.326 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61.4 | -49.9 | 176.8 | -169 | -174.4 | -173.8 | -177.5 | 0 | 111.3 | E12 Q17 W19 A25 L338 | E12-K21 IonicContact OE1-NZ 3.64Å; E12-K21 PolarHBondContact OE1-NZ 3.45Å; E12-K21 IonicContact OE2-NZ 2.7Å; Q17-K21 WeakPolarHBondContact O-CB 3.26Å; Q17-K21 PolarHBondContact O-N 2.77Å; W19-K21 VanDerWaalsContact C-N 3.31Å; W19-K21 PolarHBondContact O-N 3.16Å; K21-A25 WeakPolarHBondContact O-CB 3.24Å; K21-A25 PolarHBondContact O-N 3.22Å; K21-A25 VanDerWaalsContact O-N 3.08Å; K21-L338 HydrophobicContact CD-CD2 4.18Å; K21-L338 HydrophobicContact CG-CD2 3.95Å |
| 22 | L | 95.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -60.9 | -49.6 | 175.7 | -178.7 | 84.4 | 0 | 0 | 0 | 111.2 | I7 T18 W19 A24 A25 T26 M319 L321 L335 L338 Y339 | I7-L22 HydrophobicContact CD1-CD1 3.87Å; I7-L22 HydrophobicContact CD1-CD2 4.13Å; T18-L22 PolarHBondContact O-N 3.16Å; T18-L22 VanDerWaalsContact O-N 3.16Å; W19-L22 PolarHBondContact O-N 3.05Å; L22-A24 VanDerWaalsContact C-N 3.33Å; L22-A24 PolarHBondContact O-N 3.18Å; L22-A25 PolarHBondContact O-N 3.46Å; L22-T26 HydrophobicContact CD1-CG2 4.39Å; L22-T26 HydrophobicContact CG-CG2 4.39Å; L22-T26 WeakPolarHBondContact O-CB 3.39Å; L22-T26 WeakPolarHBondContact O-CG2 3.39Å; L22-T26 PolarHBondContact O-N 2.93Å; L22-T26 PolarHBondContact O-OG1 3.11Å; L22-M319 HydrophobicContact CB-CE 4.46Å; L22-M319 HydrophobicContact CB-SD 3.94Å; L22-M319 HydrophobicContact CD2-CB 3.87Å; L22-M319 HydrophobicContact CD2-CE 3.94Å; L22-M319 HydrophobicContact CD2-CG 4.15Å; L22-M319 HydrophobicContact CD2-SD 3.32Å; L22-M319 WeakPolarHBondContact CD2-SD 3.49Å; L22-M319 HydrophobicContact CG-SD 4.19Å; L22-L321 HydrophobicContact CD2-CD1 3.91Å; L22-L321 HydrophobicContact CD2-CG 4.4Å; L22-L335 HydrophobicContact CD1-CD2 3.34Å; L22-L338 HydrophobicContact CD1-CD1 4.18Å; L22-Y339 HydrophobicContact CD1-CE2 4.06Å |
| 23 | H | 94.5 | Very high | 90.5 | Very high | 76 Ų | 76 | 62.8 Ų | 62.8 | 35% | 0.352 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -61.7 | -41.5 | -176.1 | -176.2 | 59.9 | 0 | 0 | 0 | 111.7 | W19 E20 T26 S27 T35 | W19-H23 HydrophobicContact CZ2-CB 4.22Å; W19-H23 VanDerWaalsContact O-CB 3.28Å; W19-H23 WeakPolarHBondContact O-CB 3.47Å; W19-H23 PolarHBondContact O-N 2.62Å; E20-H23 PolarHBondContact O-N 3.4Å; H23-T26 PolarHBondContact O-OG1 3.23Å; H23-S27 PolarHBondContact CE1-OG 2.82Å; H23-S27 WeakPolarHBondContact O-CB 3.47Å; H23-S27 PolarHBondContact O-N 3Å; H23-S27 PolarHBondContact O-OG 3.35Å; H23-T35 PolarHBondContact ND1-OG1 2.9Å |
| 24 | A | 93.9 | Very high | 91 | Very high | 35 Ų | 35 | 59.8 Ų | 59.8 | 29% | 0.289 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64.6 | -45 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | E20 L22 T26 K28 | E20-A24 VanDerWaalsContact O-CB 3.23Å; E20-A24 WeakPolarHBondContact O-CB 3.31Å; E20-A24 PolarHBondContact O-N 3.02Å; L22-A24 VanDerWaalsContact C-N 3.33Å; L22-A24 PolarHBondContact O-N 3.18Å; A24-T26 VanDerWaalsContact C-N 3.32Å; A24-T26 PolarHBondContact O-N 2.98Å; A24-K28 WeakPolarHBondContact O-CB 3.48Å; A24-K28 WeakPolarHBondContact O-CG 3.18Å; A24-K28 PolarHBondContact O-N 3.23Å |
| 25 | A | 93.5 | Very high | 91.2 | Very high | 18 Ų | 18 | 57.6 Ų | 57.6 | 15% | 0.149 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -67.4 | -30.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | K21 L22 N29 V334 L338 | K21-A25 WeakPolarHBondContact O-CB 3.24Å; K21-A25 PolarHBondContact O-N 3.22Å; K21-A25 VanDerWaalsContact O-N 3.08Å; L22-A25 PolarHBondContact O-N 3.46Å; A25-N29 PolarHBondContact O-ND2 3.44Å; A25-V334 HydrophobicContact CB-CG1 3.82Å; A25-L338 HydrophobicContact CB-CD1 3.74Å; A25-L338 HydrophobicContact CB-CD2 4.19Å; A25-L338 HydrophobicContact CB-CG 4.32Å |
| 26 | T | 93 | Very high | 91.3 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -87.7 | -34.5 | -179.6 | 50.8 | 0 | 0 | 0 | 0 | 112.9 | L22 H23 A24 L32 T35 L321 L331 | L22-T26 HydrophobicContact CD1-CG2 4.39Å; L22-T26 HydrophobicContact CG-CG2 4.39Å; L22-T26 WeakPolarHBondContact O-CB 3.39Å; L22-T26 WeakPolarHBondContact O-CG2 3.39Å; L22-T26 PolarHBondContact O-N 2.93Å; L22-T26 PolarHBondContact O-OG1 3.11Å; H23-T26 PolarHBondContact O-OG1 3.23Å; A24-T26 VanDerWaalsContact C-N 3.32Å; A24-T26 PolarHBondContact O-N 2.98Å; T26-L32 PolarHBondContact O-N 3.41Å; T26-T35 HydrophobicContact CG2-CG2 4.33Å; T26-T35 VanDerWaalsContact OG1-CG2 3.31Å; T26-T35 WeakPolarHBondContact OG1-CG2 3.35Å; T26-L321 HydrophobicContact CG2-CD2 4.34Å; T26-L331 HydrophobicContact CG2-CD1 3.71Å |
| 27 | S | 88.2 | Confident | 91.4 | Very high | 38 Ų | 38 | 57 Ų | 57 | 27% | 0.266 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -78.2 | -44.8 | 178.2 | -56.8 | 0 | 0 | 0 | 0 | 113 | H23 N29 N31 | H23-S27 PolarHBondContact CE1-OG 2.82Å; H23-S27 WeakPolarHBondContact O-CB 3.47Å; H23-S27 PolarHBondContact O-N 3Å; H23-S27 PolarHBondContact O-OG 3.35Å; S27-N29 VanDerWaalsContact C-N 3.25Å; S27-N29 PolarHBondContact O-N 3.45Å; S27-N31 PolarHBondContact O-N 3.5Å; S27-N31 PolarHBondContact O-OD1 3.33Å |
| 28 | K | 80.2 | Confident | 91.6 | Very high | 175 Ų | 175 | 53.4 Ų | 53.4 | 76% | 0.761 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -25.3 | -176.2 | -70 | 178.6 | 178.9 | -178 | 0 | 113.6 | A24 N30 | A24-K28 WeakPolarHBondContact O-CB 3.48Å; A24-K28 WeakPolarHBondContact O-CG 3.18Å; A24-K28 PolarHBondContact O-N 3.23Å; K28-N30 PolarHBondContact O-N 3.31Å |
| 29 | N | 75.3 | Confident | 91.6 | Very high | 70 Ų | 70 | 58.2 Ų | 58.2 | 37% | 0.374 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | 60.2 | -175.8 | -75.1 | -44.6 | 0 | 0 | 0 | 112.4 | A25 S27 N31 L32 | A25-N29 PolarHBondContact O-ND2 3.44Å; S27-N29 VanDerWaalsContact C-N 3.25Å; S27-N29 PolarHBondContact O-N 3.45Å; N29-N31 PolarHBondContact O-N 3.04Å; N29-L32 HydrophobicContact CB-CD1 3.64Å; N29-L32 HydrophobicContact CB-CD2 4.32Å; N29-L32 HydrophobicContact CB-CG 3.82Å; N29-L32 WeakPolarHBondContact O-CD2 3.29Å; N29-L32 WeakPolarHBondContact O-CG 3.47Å |
| 30 | N | 77.6 | Confident | 91.6 | Very high | 145 Ų | 145 | 58 Ų | 58 | 78% | 0.775 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.4 | 35.1 | 179.7 | -60.7 | -24.8 | 0 | 0 | 0 | 114.8 | K28 | K28-N30 PolarHBondContact O-N 3.31Š|
| 31 | N | 86.5 | Confident | 91.7 | Very high | 113 Ų | 113 | 54.8 Ų | 54.8 | 60% | 0.604 | 29% | 0.294 | S | S | * | . | trans | 53.3 | 61.2 | 179.4 | -62.1 | -40.3 | 0 | 0 | 0 | 112.8 | S27 N29 A33 | S27-N31 PolarHBondContact O-N 3.5Å; S27-N31 PolarHBondContact O-OD1 3.33Å; N29-N31 PolarHBondContact O-N 3.04Å; N31-A33 PolarHBondContact O-N 2.87Å | ||
| 32 | L | 92.9 | Very high | 91.6 | Very high | 2 Ų | 2 | 58.2 Ų | 58.2 | 1% | 0.01 | 32% | 0.316 | C | S | . | . | trans | -61.4 | -31.8 | -177.1 | -60.9 | 179.5 | 0 | 0 | 0 | 112.9 | T26 N29 N324 T327 K330 L331 V334 | T26-L32 PolarHBondContact O-N 3.41Å; N29-L32 HydrophobicContact CB-CD1 3.64Å; N29-L32 HydrophobicContact CB-CD2 4.32Å; N29-L32 HydrophobicContact CB-CG 3.82Å; N29-L32 WeakPolarHBondContact O-CD2 3.29Å; N29-L32 WeakPolarHBondContact O-CG 3.47Å; L32-N324 WeakPolarHBondContact O-CB 3.43Å; L32-N324 PolarHBondContact O-N 2.94Å; L32-T327 HydrophobicContact CD2-CG2 4.14Å; L32-T327 PolarHBondContact O-OG1 2.84Å; L32-K330 HydrophobicContact CD1-CG 4.29Å; L32-K330 HydrophobicContact CD2-CB 4.05Å; L32-K330 HydrophobicContact CD2-CG 3.81Å; L32-L331 HydrophobicContact CB-CB 4.22Å; L32-L331 HydrophobicContact CB-CD1 3.84Å; L32-L331 HydrophobicContact CD1-CD1 4.32Å; L32-V334 HydrophobicContact CD1-CB 4.14Å; L32-V334 HydrophobicContact CD1-CG1 4.48Å; L32-V334 HydrophobicContact CD1-CG2 3.75Å | ||
| 33 | A | 93.6 | Very high | 91.6 | Very high | 7 Ų | 7 | 58.7 Ų | 58.7 | 6% | 0.058 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 152.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | N31 T35 L321 Q322 L331 | N31-A33 PolarHBondContact O-N 2.87Å; A33-T35 HydrophobicContact CB-CG2 4.36Å; A33-L321 HydrophobicContact CB-CB 4.14Å; A33-L321 HydrophobicContact CB-CD2 4.44Å; A33-Q322 CarbonylContact C-O 3.4Å; A33-Q322 VanDerWaalsContact CA-O 3.23Å; A33-Q322 WeakPolarHBondContact CA-O 3.32Å; A33-Q322 WeakPolarHBondContact CB-O 3.49Å; A33-L331 HydrophobicContact CB-CD1 4.3Å; A33-L331 HydrophobicContact CB-CD2 3.93Å |
| 34 | V | 93.2 | Very high | 91.6 | Very high | 104 Ų | 104 | 61 Ų | 61 | 63% | 0.63 | 33% | 0.327 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 124.6 | 160.6 | -178.3 | 0 | 0 | 0 | 0 | 107.3 | L321 Q322 | V34-L321 CarbonylContact O-C 3.56Å; V34-Q322 HydrophobicContact CB-CB 4.26Å; V34-Q322 PolarHBondContact N-O 3.12Å; V34-Q322 PolarHBondContact O-N 2.78Å |
| 35 | T | 94.8 | Very high | 91.6 | Very high | 18 Ų | 18 | 60.7 Ų | 60.7 | 11% | 0.11 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 141.4 | -175.6 | 63.1 | 0 | 0 | 0 | 0 | 111.1 | W19 H23 T26 A33 L320 L321 | W19-T35 WeakPolarHBondContact CH2-OG1 3.46Å; H23-T35 PolarHBondContact ND1-OG1 2.9Å; T26-T35 HydrophobicContact CG2-CG2 4.33Å; T26-T35 VanDerWaalsContact OG1-CG2 3.31Å; T26-T35 WeakPolarHBondContact OG1-CG2 3.35Å; A33-T35 HydrophobicContact CB-CG2 4.36Å; T35-L320 CarbonylContact C-O 3.46Å; T35-L320 WeakPolarHBondContact CA-O 3.38Å; T35-L321 HydrophobicContact CG2-CG 3.98Å |
| 36 | S | 95.4 | Very high | 91.5 | Very high | 31 Ų | 31 | 62.7 Ų | 62.7 | 22% | 0.217 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 158.5 | 166.8 | 61.3 | 0 | 0 | 0 | 0 | 111 | W19 L320 | W19-S36 VanDerWaalsContact CH2-C 3.5Å; W19-S36 VanDerWaalsContact CZ3-C 3.45Å; W19-S36 WeakPolarHBondContact CZ3-O 3.19Å; S36-L320 PolarHBondContact N-O 3.2Å; S36-L320 PolarHBondContact O-N 3.26Å |
| 37 | K | 96.3 | Very high | 91.5 | Very high | 73 Ų | 73 | 66.6 Ų | 66.6 | 32% | 0.317 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 142 | 167.7 | -68.2 | -175.5 | 178.3 | -175.4 | 0 | 109.3 | W19 | W19-K37 HydrophobicContact CD2-CD 4.42Å; W19-K37 HydrophobicContact CD2-CG 3.68Å; W19-K37 HydrophobicContact CE3-CG 3.81Å; W19-K37 HydrophobicContact CG-CD 4.39Å; W19-K37 VanDerWaalsContact CG-CE 3.41Å; W19-K37 HydrophobicContact CG-CG 4.12Å; W19-K37 HydrophobicContact CH2-CG 4.45Å; W19-K37 HydrophobicContact CZ2-CG 4.35Å; W19-K37 HydrophobicContact CZ3-CG 4.2Å |
| 38 | F | 97.6 | Very high | 91.6 | Very high | 5 Ų | 5 | 70.5 Ų | 70.5 | 2% | 0.022 | 39% | 0.386 | C | S | . | . | trans | -110.3 | 104.1 | 173.2 | -170.3 | -90.8 | 0 | 0 | 0 | 108.5 | L6 I40 F105 I295 A299 A318 L320 | L6-F38 HydrophobicContact CD1-CB 3.72Å; L6-F38 HydrophobicContact CD1-CD1 3.7Å; L6-F38 HydrophobicContact CD1-CD2 3.79Å; L6-F38 HydrophobicContact CD1-CE1 4.23Å; L6-F38 HydrophobicContact CD1-CE2 4.3Å; L6-F38 HydrophobicContact CD1-CG 3.44Å; L6-F38 VanDerWaalsContact CD1-CG 3.44Å; L6-F38 HydrophobicContact CD1-CZ 4.5Å; L6-F38 HydrophobicContact CD2-CD1 4.48Å; L6-F38 HydrophobicContact CD2-CE1 4.23Å; L6-F38 HydrophobicContact CD2-CZ 4.28Å; F38-I40 HydrophobicContact CD1-CD1 4.15Å; F38-I40 HydrophobicContact CD1-CG1 3.78Å; F38-I40 HydrophobicContact CE1-CD1 4.31Å; F38-I40 HydrophobicContact CE1-CG1 3.93Å; F38-I40 PolarHBondContact O-N 3.23Å; F38-F105 HydrophobicContact CD1-CD1 4.25Å; F38-F105 HydrophobicContact CD2-CB 4.06Å; F38-F105 HydrophobicContact CD2-CD1 4.16Å; F38-F105 HydrophobicContact CD2-CG 4.35Å; F38-F105 AromaticContact CE1-CD1 3.62Å; F38-F105 HydrophobicContact CE1-CD1 3.62Å; F38-F105 AromaticContact CE1-CE1 3.71Å; F38-F105 HydrophobicContact CE1-CE1 3.71Å; F38-F105 HydrophobicContact CE1-CG 4.4Å; F38-F105 HydrophobicContact CE2-CB 3.54Å; F38-F105 AromaticContact CE2-CD1 3.53Å; F38-F105 HydrophobicContact CE2-CD1 3.53Å; F38-F105 HydrophobicContact CE2-CD2 4.34Å; F38-F105 HydrophobicContact CE2-CE1 4.32Å; F38-F105 AromaticContact CE2-CG 3.53Å; F38-F105 HydrophobicContact CE2-CG 3.53Å; F38-F105 HydrophobicContact CG-CD1 4.49Å; F38-F105 HydrophobicContact CZ-CB 4.12Å; F38-F105 AromaticContact CZ-CD1 3.22Å; F38-F105 HydrophobicContact CZ-CD1 3.22Å; F38-F105 HydrophobicContact CZ-CD2 4.17Å; F38-F105 AromaticContact CZ-CE1 3.56Å; F38-F105 HydrophobicContact CZ-CE1 3.56Å; F38-F105 HydrophobicContact CZ-CE2 4.44Å; F38-F105 AromaticContact CZ-CG 3.56Å; F38-F105 HydrophobicContact CZ-CG 3.56Å; F38-F105 HydrophobicContact CZ-CZ 4.16Å; F38-I295 HydrophobicContact CE2-CG2 4.11Å; F38-I295 HydrophobicContact CZ-CG2 3.96Å; F38-A299 HydrophobicContact CE1-CB 3.7Å; F38-A299 HydrophobicContact CZ-CB 4.12Å; F38-A318 HydrophobicContact CB-CB 4.25Å; F38-A318 HydrophobicContact CD1-CB 4.37Å; F38-A318 PolarHBondContact N-O 3.34Å; F38-A318 WeakPolarHBondContact O-CB 2.76Å; F38-L320 HydrophobicContact CB-CB 4.44Å | ||
| 39 | N | 95.4 | Very high | 92.2 | Very high | 103 Ų | 103 | 68.6 Ų | 68.6 | 55% | 0.551 | 38% | 0.384 | S | S | * | . | trans | -81.9 | 110.3 | -169.3 | -66.5 | -18 | 0 | 0 | 0 | 110.8 | ||||
| 40 | I | 96.6 | Very high | 93 | Very high | 32 Ų | 32 | 68.3 Ų | 68.3 | 16% | 0.164 | 38% | 0.384 | C | S | . | . | trans | -104 | 128.8 | 171.3 | -55.9 | 176.4 | 0 | 0 | 0 | 107.1 | F38 L43 A299 V302 F303 F316 A318 | F38-I40 HydrophobicContact CD1-CD1 4.15Å; F38-I40 HydrophobicContact CD1-CG1 3.78Å; F38-I40 HydrophobicContact CE1-CD1 4.31Å; F38-I40 HydrophobicContact CE1-CG1 3.93Å; F38-I40 PolarHBondContact O-N 3.23Å; I40-L43 HydrophobicContact CG2-CD1 3.95Å; I40-L43 HydrophobicContact CG2-CG 4.47Å; I40-A299 HydrophobicContact CG1-CB 4.41Å; I40-V302 HydrophobicContact CD1-CB 3.96Å; I40-V302 HydrophobicContact CD1-CG1 3.75Å; I40-F303 HydrophobicContact CG2-CB 4.33Å; I40-F303 HydrophobicContact CG2-CD2 3.97Å; I40-F316 HydrophobicContact CD1-CE2 4.37Å; I40-A318 HydrophobicContact CD1-CB 3.8Å; I40-A318 HydrophobicContact CG1-CB 4.31Å | ||
| 41 | P | 96.3 | Very high | 93.9 | Very high | 30 Ų | 30 | 61.6 Ų | 61.6 | 20% | 0.195 | 35% | 0.348 | C | S | . | . | trans | -72.4 | 172.2 | 178.6 | 32.1 | -36.8 | 0 | 0 | 0 | 111.7 | L43 W107 I114 | P41-L43 HydrophobicContact CG-CD2 4.05Å; P41-L43 HydrophobicContact CG-CG 4.34Å; P41-L43 PolarHBondContact O-N 2.57Å; P41-W107 HydrophobicContact CG-CB 3.87Å; P41-W107 HydrophobicContact CG-CD2 3.81Å; P41-W107 HydrophobicContact CG-CE3 4.3Å; P41-W107 HydrophobicContact CG-CG 3.58Å; P41-I114 HydrophobicContact CB-CG2 3.99Å; P41-I114 HydrophobicContact CG-CG2 3.65Å | ||
| 42 | D | 93.8 | Very high | 94.3 | Very high | 147 Ų | 147 | 59.6 Ų | 59.6 | 79% | 0.786 | 34% | 0.34 | S | S | * | . | trans | -68.8 | 93.3 | 173.1 | -62 | -40.9 | 0 | 0 | 0 | 110.6 | ||||
| 43 | L | 96.2 | Very high | 94.4 | Very high | 11 Ų | 11 | 61.1 Ų | 61.1 | 6% | 0.058 | 36% | 0.357 | C | S | . | . | trans | -85.6 | 150.2 | 177.2 | -60.4 | 171.5 | 0 | 0 | 0 | 111.1 | I40 P41 V45 W107 I114 L118 I121 L300 F303 | I40-L43 HydrophobicContact CG2-CD1 3.95Å; I40-L43 HydrophobicContact CG2-CG 4.47Å; P41-L43 HydrophobicContact CG-CD2 4.05Å; P41-L43 HydrophobicContact CG-CG 4.34Å; P41-L43 PolarHBondContact O-N 2.57Å; L43-V45 PolarHBondContact O-N 3.12Å; L43-V45 VanDerWaalsContact O-N 3.08Å; L43-W107 HydrophobicContact CD1-CH2 4.25Å; L43-W107 HydrophobicContact CD1-CZ3 4.38Å; L43-W107 HydrophobicContact CD2-CH2 4.29Å; L43-W107 HydrophobicContact CD2-CZ2 3.98Å; L43-I114 HydrophobicContact CD2-CB 4.24Å; L43-I114 HydrophobicContact CD2-CG2 3.8Å; L43-L118 HydrophobicContact CB-CD2 3.7Å; L43-L118 HydrophobicContact CD1-CD2 3.77Å; L43-L118 HydrophobicContact CG-CD2 4.23Å; L43-I121 HydrophobicContact CD2-CD1 4.41Å; L43-L300 HydrophobicContact CD1-CD2 3.98Å; L43-F303 HydrophobicContact CB-CD1 4.39Å; L43-F303 HydrophobicContact CB-CD2 4.25Å; L43-F303 HydrophobicContact CB-CE1 4.05Å; L43-F303 HydrophobicContact CB-CE2 3.89Å; L43-F303 HydrophobicContact CB-CG 4.5Å; L43-F303 HydrophobicContact CB-CZ 3.78Å; L43-F303 HydrophobicContact CD1-CB 4.22Å; L43-F303 HydrophobicContact CD1-CD1 4.28Å; L43-F303 HydrophobicContact CD1-CD2 4.01Å; L43-F303 HydrophobicContact CD1-CE2 4.49Å; L43-F303 HydrophobicContact CD1-CG 3.9Å; L43-F303 HydrophobicContact CG-CD2 4.42Å; L43-F303 HydrophobicContact CG-CE2 4.46Å; L43-F303 WeakPolarHBondContact O-CZ 3.31Å | ||
| 44 | K | 94.2 | Very high | 94.5 | Very high | 124 Ų | 124 | 61 Ų | 61 | 54% | 0.539 | 36% | 0.355 | S | S | . | . | B | Isolated β-bridge | trans | -68.4 | 106.9 | 175 | -76.1 | -173 | 172.9 | 177.4 | 0 | 111.1 | G46 K115 L118 | K44-G46 PolarHBondContact O-N 3.26Å; K44-K115 WeakPolarHBondContact CD-O 3.46Å; K44-K115 WeakPolarHBondContact CE-O 3.33Å; K44-K115 PolarHBondContact NZ-O 3.32Å; K44-L118 WeakPolarHBondContact O-CG 3.42Å |
| 45 | V | 92.2 | Very high | 94.7 | Very high | 28 Ų | 28 | 57 Ų | 57 | 17% | 0.17 | 33% | 0.332 | C | S | . | . | trans | -53.9 | -46.2 | -178.7 | 179.8 | 0 | 0 | 0 | 0 | 113.1 | L43 L51 F303 V307 L312 V314 | L43-V45 PolarHBondContact O-N 3.12Å; L43-V45 VanDerWaalsContact O-N 3.08Å; V45-L51 HydrophobicContact CG1-CD1 3.76Å; V45-L51 VanDerWaalsContact O-CD2 3.28Å; V45-L51 WeakPolarHBondContact O-CD2 3.33Å; V45-F303 HydrophobicContact CG2-CE1 4.33Å; V45-F303 HydrophobicContact CG2-CZ 3.96Å; V45-V307 HydrophobicContact CG1-CG1 3.91Å; V45-L312 HydrophobicContact CG1-CD1 4.38Å; V45-L312 HydrophobicContact CG1-CD2 4.11Å; V45-L312 HydrophobicContact CG2-CD2 4.16Å; V45-V314 HydrophobicContact CG2-CG2 3.65Å | ||
| 46 | G | 91.7 | Very high | 94.7 | Very high | 60 Ų | 60 | 61 Ų | 61 | 62% | 0.619 | 35% | 0.352 | S | S | * | . | trans | 77.5 | -156.7 | -170.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | K44 | K44-G46 PolarHBondContact O-N 3.26Š| ||
| 47 | T | 92.8 | Very high | 94.8 | Very high | 83 Ų | 83 | 63.8 Ų | 63.8 | 51% | 0.509 | 36% | 0.362 | S | S | . | . | trans | -95.9 | 158 | 177.1 | 60.7 | 0 | 0 | 0 | 0 | 111 | D49 V50 L51 | T47-D49 VanDerWaalsContact C-N 3.3Å; T47-D49 PolarHBondContact O-N 2.89Å; T47-V50 PolarHBondContact O-N 3.35Å; T47-V50 VanDerWaalsContact OG1-CG2 3.28Å; T47-V50 WeakPolarHBondContact OG1-CG2 3.17Å; T47-V50 PolarHBondContact OG1-N 2.98Å; T47-L51 WeakPolarHBondContact O-CG 3.47Å; T47-L51 PolarHBondContact O-N 3.1Å; T47-L51 VanDerWaalsContact O-N 3.08Å | ||
| 48 | L | 90.9 | Very high | 94.9 | Very high | 120 Ų | 120 | 60.3 Ų | 60.3 | 63% | 0.628 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -57.5 | -42.9 | 178.3 | -175.2 | 64.8 | 0 | 0 | 0 | 112.2 | V50 L51 V52 L308 | L48-V50 VanDerWaalsContact C-N 3.34Å; L48-V50 PolarHBondContact O-N 3.35Å; L48-L51 WeakPolarHBondContact O-CB 3.37Å; L48-L51 PolarHBondContact O-N 2.79Å; L48-L51 VanDerWaalsContact O-N 3.12Å; L48-V52 WeakPolarHBondContact O-CG2 3.41Å; L48-V52 PolarHBondContact O-N 3.39Å; L48-L308 HydrophobicContact CD1-CD2 3.53Å |
| 49 | D | 92.1 | Very high | 94.9 | Very high | 135 Ų | 135 | 61.4 Ų | 61.4 | 72% | 0.722 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -56.2 | -45.6 | 176.3 | -178 | 79.3 | 0 | 0 | 0 | 112.5 | T47 L51 V52 G53 | T47-D49 VanDerWaalsContact C-N 3.3Å; T47-D49 PolarHBondContact O-N 2.89Å; D49-L51 VanDerWaalsContact C-N 3.34Å; D49-L51 PolarHBondContact O-N 3.43Å; D49-V52 PolarHBondContact O-N 3.08Å; D49-G53 PolarHBondContact O-N 3.16Å |
| 50 | V | 93.3 | Very high | 95.1 | Very high | 64 Ų | 64 | 64 Ų | 64 | 39% | 0.388 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -64.4 | -38.9 | 176.5 | 170.1 | 0 | 0 | 0 | 0 | 111.4 | T47 L48 L54 | T47-V50 PolarHBondContact O-N 3.35Å; T47-V50 VanDerWaalsContact OG1-CG2 3.28Å; T47-V50 WeakPolarHBondContact OG1-CG2 3.17Å; T47-V50 PolarHBondContact OG1-N 2.98Å; L48-V50 VanDerWaalsContact C-N 3.34Å; L48-V50 PolarHBondContact O-N 3.35Å; V50-L54 WeakPolarHBondContact O-CB 3.34Å; V50-L54 PolarHBondContact O-N 3.02Å |
| 51 | L | 95.4 | Very high | 95.2 | Very high | 3 Ų | 3 | 63.3 Ų | 63.3 | 2% | 0.016 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -66.9 | -40.3 | 179.3 | -70.3 | 175 | 0 | 0 | 0 | 112.6 | V45 T47 L48 D49 L54 S55 L118 V304 V307 L308 | V45-L51 HydrophobicContact CG1-CD1 3.76Å; V45-L51 VanDerWaalsContact O-CD2 3.28Å; V45-L51 WeakPolarHBondContact O-CD2 3.33Å; T47-L51 WeakPolarHBondContact O-CG 3.47Å; T47-L51 PolarHBondContact O-N 3.1Å; T47-L51 VanDerWaalsContact O-N 3.08Å; L48-L51 WeakPolarHBondContact O-CB 3.37Å; L48-L51 PolarHBondContact O-N 2.79Å; L48-L51 VanDerWaalsContact O-N 3.12Å; D49-L51 VanDerWaalsContact C-N 3.34Å; D49-L51 PolarHBondContact O-N 3.43Å; L51-L54 PolarHBondContact O-N 2.84Å; L51-S55 PolarHBondContact O-N 2.95Å; L51-L118 HydrophobicContact CD2-CD1 3.68Å; L51-V304 HydrophobicContact CB-CG1 4.39Å; L51-V304 HydrophobicContact CD2-CB 4.46Å; L51-V304 HydrophobicContact CD2-CG1 4.17Å; L51-V304 HydrophobicContact CD2-CG2 3.98Å; L51-V304 WeakPolarHBondContact O-CG1 3.36Å; L51-V307 HydrophobicContact CD1-CB 4.23Å; L51-V307 HydrophobicContact CD1-CG1 3.62Å; L51-L308 HydrophobicContact CB-CD2 3.71Å; L51-L308 HydrophobicContact CB-CG 4.16Å; L51-L308 HydrophobicContact CD1-CD2 4.43Å |
| 52 | V | 95.1 | Very high | 95.3 | Very high | 71 Ų | 71 | 62.1 Ų | 62.1 | 43% | 0.43 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61 | -52.3 | 177.7 | 172.7 | 0 | 0 | 0 | 0 | 110 | L48 D49 L54 S55 L308 | L48-V52 WeakPolarHBondContact O-CG2 3.41Å; L48-V52 PolarHBondContact O-N 3.39Å; D49-V52 PolarHBondContact O-N 3.08Å; V52-L54 VanDerWaalsContact C-N 3.3Å; V52-L54 PolarHBondContact O-N 2.94Å; V52-S55 WeakPolarHBondContact O-CB 3.43Å; V52-S55 PolarHBondContact O-N 3.21Å; V52-L308 HydrophobicContact CG2-CD2 3.92Å |
| 53 | G | 94.8 | Very high | 95.5 | Very high | 35 Ų | 35 | 58.1 Ų | 58.1 | 36% | 0.361 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61.8 | -38.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113 | D49 S55 D56 E57 | D49-G53 PolarHBondContact O-N 3.16Å; G53-S55 VanDerWaalsContact C-N 3.32Å; G53-S55 PolarHBondContact O-N 2.65Å; G53-D56 PolarHBondContact O-N 2.9Å; G53-E57 WeakPolarHBondContact O-CG 3.21Å; G53-E57 PolarHBondContact O-N 3Å |
| 54 | L | 96.4 | Very high | 95.6 | Very high | 3 Ų | 3 | 60.9 Ų | 60.9 | 2% | 0.016 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -68.9 | -28.3 | 179.3 | -171.7 | 63.7 | 0 | 0 | 0 | 112.9 | V50 L51 V52 E57 L58 L118 V304 | V50-L54 WeakPolarHBondContact O-CB 3.34Å; V50-L54 PolarHBondContact O-N 3.02Å; L51-L54 PolarHBondContact O-N 2.84Å; V52-L54 VanDerWaalsContact C-N 3.3Å; V52-L54 PolarHBondContact O-N 2.94Å; L54-E57 HydrophobicContact CD1-CB 4.44Å; L54-E57 PolarHBondContact O-N 3.24Å; L54-L58 HydrophobicContact CD1-CD1 4.43Å; L54-L58 HydrophobicContact CD1-CD2 4.49Å; L54-L58 HydrophobicContact CD1-CG 4.04Å; L54-L58 HydrophobicContact CD2-CD1 4.26Å; L54-L58 HydrophobicContact CG-CD1 3.82Å; L54-L58 HydrophobicContact CG-CG 3.93Å; L54-L58 VanDerWaalsContact O-CB 3.29Å; L54-L58 WeakPolarHBondContact O-CB 3.48Å; L54-L58 WeakPolarHBondContact O-CG 3.28Å; L54-L58 PolarHBondContact O-N 2.73Å; L54-L118 HydrophobicContact CD2-CB 3.34Å; L54-L118 HydrophobicContact CD2-CD1 4.16Å; L54-L118 HydrophobicContact CD2-CG 4.39Å; L54-V304 HydrophobicContact CD2-CG2 3.99Å; L54-V304 HydrophobicContact CG-CG2 4.47Å |
| 55 | S | 96.9 | Very high | 95.8 | Very high | 22 Ų | 22 | 55 Ų | 55 | 15% | 0.154 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60.2 | -46.8 | 177 | -169 | 0 | 0 | 0 | 0 | 111.5 | L51 V52 G53 L58 A59 E305 | L51-S55 PolarHBondContact O-N 2.95Å; V52-S55 WeakPolarHBondContact O-CB 3.43Å; V52-S55 PolarHBondContact O-N 3.21Å; G53-S55 VanDerWaalsContact C-N 3.32Å; G53-S55 PolarHBondContact O-N 2.65Å; S55-L58 PolarHBondContact O-N 3.43Å; S55-A59 PolarHBondContact O-N 3.41Å; S55-E305 PolarHBondContact OG-OE2 3.03Å |
| 56 | D | 95.8 | Very high | 96 | Very high | 101 Ų | 101 | 55.9 Ų | 55.9 | 54% | 0.54 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -67.3 | -41.6 | 176.9 | -72.6 | -29.7 | 0 | 0 | 0 | 112.3 | G53 A59 K60 | G53-D56 PolarHBondContact O-N 2.9Å; D56-A59 PolarHBondContact O-N 3.25Å; D56-K60 PolarHBondContact O-N 2.88Å |
| 57 | E | 97.4 | Very high | 96.3 | Very high | 89 Ų | 89 | 54.2 Ų | 54.2 | 42% | 0.416 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.3 | -44.4 | 176.6 | -72 | 179.3 | 177.7 | 0 | 0 | 111.5 | G53 L54 A59 K60 L61 | G53-E57 WeakPolarHBondContact O-CG 3.21Å; G53-E57 PolarHBondContact O-N 3Å; L54-E57 HydrophobicContact CD1-CB 4.44Å; L54-E57 PolarHBondContact O-N 3.24Å; E57-A59 VanDerWaalsContact C-N 3.31Å; E57-A59 PolarHBondContact O-N 3.23Å; E57-K60 PolarHBondContact O-N 3.4Å; E57-L61 WeakPolarHBondContact O-CB 3.47Å; E57-L61 PolarHBondContact O-N 3Å |
| 58 | L | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -67.1 | -32.2 | 177.6 | -72.3 | 172.7 | 0 | 0 | 0 | 112.2 | L54 S55 L61 D62 V297 L300 R301 V304 | L54-L58 HydrophobicContact CD1-CD1 4.43Å; L54-L58 HydrophobicContact CD1-CD2 4.49Å; L54-L58 HydrophobicContact CD1-CG 4.04Å; L54-L58 HydrophobicContact CD2-CD1 4.26Å; L54-L58 HydrophobicContact CG-CD1 3.82Å; L54-L58 HydrophobicContact CG-CG 3.93Å; L54-L58 VanDerWaalsContact O-CB 3.29Å; L54-L58 WeakPolarHBondContact O-CB 3.48Å; L54-L58 WeakPolarHBondContact O-CG 3.28Å; L54-L58 PolarHBondContact O-N 2.73Å; S55-L58 PolarHBondContact O-N 3.43Å; L58-L61 HydrophobicContact CD2-CD2 4.32Å; L58-L61 PolarHBondContact O-N 3.42Å; L58-D62 VanDerWaalsContact O-CB 3.22Å; L58-D62 WeakPolarHBondContact O-CB 3.5Å; L58-D62 PolarHBondContact O-N 2.95Å; L58-V297 HydrophobicContact CD2-CG1 4.45Å; L58-L300 HydrophobicContact CD1-CB 3.95Å; L58-L300 HydrophobicContact CD2-CB 3.97Å; L58-L300 HydrophobicContact CD2-CD1 4Å; L58-R301 HydrophobicContact CB-CG 3.69Å; L58-R301 HydrophobicContact CD1-CG 4.38Å; L58-V304 HydrophobicContact CD1-CB 4.22Å; L58-V304 HydrophobicContact CD1-CG2 3.72Å |
| 59 | A | 97.8 | Very high | 96.9 | Very high | 28 Ų | 28 | 44.6 Ų | 44.6 | 23% | 0.231 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.7 | -44.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112 | S55 D56 E57 A63 | S55-A59 PolarHBondContact O-N 3.41Å; D56-A59 PolarHBondContact O-N 3.25Å; E57-A59 VanDerWaalsContact C-N 3.31Å; E57-A59 PolarHBondContact O-N 3.23Å; A59-A63 PolarHBondContact O-N 3.38Å |
| 60 | K | 98.3 | Very high | 97.2 | Very high | 157 Ų | 157 | 41.9 Ų | 41.9 | 68% | 0.683 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -65.5 | -43.6 | 174.5 | -66.3 | 171.6 | -172.4 | 169.5 | 0 | 111.4 | D56 E57 A63 F64 | D56-K60 PolarHBondContact O-N 2.88Å; E57-K60 PolarHBondContact O-N 3.4Å; K60-A63 PolarHBondContact O-N 3.12Å; K60-F64 WeakPolarHBondContact O-CB 3.06Å; K60-F64 PolarHBondContact O-N 3.19Å |
| 61 | L | 98.6 | Very high | 97.4 | Very high | 18 Ų | 18 | 43.3 Ų | 43.3 | 9% | 0.094 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.7 | -45.7 | 178.4 | -178.9 | 57.6 | 0 | 0 | 0 | 111.3 | E57 L58 A63 F64 V65 S122 I125 A126 V297 | E57-L61 WeakPolarHBondContact O-CB 3.47Å; E57-L61 PolarHBondContact O-N 3Å; L58-L61 HydrophobicContact CD2-CD2 4.32Å; L58-L61 PolarHBondContact O-N 3.42Å; L61-A63 PolarHBondContact O-N 3.41Å; L61-F64 HydrophobicContact CD1-CD1 4.31Å; L61-F64 WeakPolarHBondContact O-CB 3.12Å; L61-F64 PolarHBondContact O-N 3.46Å; L61-V65 HydrophobicContact CD1-CG2 3.75Å; L61-V65 HydrophobicContact CG-CG2 4.1Å; L61-V65 WeakPolarHBondContact O-CG2 3.21Å; L61-V65 PolarHBondContact O-N 3.42Å; L61-S122 WeakPolarHBondContact CD2-O 3.22Å; L61-I125 HydrophobicContact CD2-CB 4.48Å; L61-I125 HydrophobicContact CD2-CG2 4.34Å; L61-A126 HydrophobicContact CD1-CB 3.7Å; L61-A126 HydrophobicContact CD2-CB 4.47Å; L61-V297 HydrophobicContact CD2-CG2 3.94Å; L61-V297 HydrophobicContact CG-CG1 4.33Å; L61-V297 HydrophobicContact CG-CG2 4.01Å |
| 62 | D | 98.5 | Very high | 97.5 | Very high | 5 Ų | 5 | 43.1 Ų | 43.1 | 3% | 0.027 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -57.3 | -49.9 | 178.1 | -178.5 | 23.3 | 0 | 0 | 0 | 112.1 | L58 F64 V65 E66 W294 V297 K298 R301 | L58-D62 VanDerWaalsContact O-CB 3.22Å; L58-D62 WeakPolarHBondContact O-CB 3.5Å; L58-D62 PolarHBondContact O-N 2.95Å; D62-F64 VanDerWaalsContact C-N 3.31Å; D62-F64 PolarHBondContact O-N 3.3Å; D62-V65 PolarHBondContact O-N 3.25Å; D62-E66 WeakPolarHBondContact O-CB 3.41Å; D62-E66 PolarHBondContact O-N 3.02Å; D62-W294 VanDerWaalsContact OD1-CD1 3.28Å; D62-W294 PolarHBondContact OD1-NE1 3.25Å; D62-V297 HydrophobicContact CB-CG1 3.72Å; D62-K298 WeakPolarHBondContact OD1-CE 3.28Å; D62-K298 IonicContact OD1-NZ 3.88Å; D62-K298 PolarHBondContact OD1-NZ 3.48Å; D62-K298 WeakPolarHBondContact OD2-CE 3.42Å; D62-K298 IonicContact OD2-NZ 2.73Å; D62-K298 PolarHBondContact OD2-NZ 3.21Å; D62-R301 WeakPolarHBondContact OD2-CD 3.23Å; D62-R301 IonicContact OD2-CZ 2.71Å; D62-R301 IonicContact OD2-NE 2.78Å; D62-R301 IonicContact OD2-NH1 2.63Å; D62-R301 PolarHBondContact OD2-NH1 3.37Å |
| 63 | A | 97.8 | Very high | 97.6 | Very high | 63 Ų | 63 | 39.8 Ų | 39.8 | 52% | 0.521 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -61.3 | -39.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | A59 K60 L61 G67 | A59-A63 PolarHBondContact O-N 3.38Å; K60-A63 PolarHBondContact O-N 3.12Å; L61-A63 PolarHBondContact O-N 3.41Å; A63-G67 PolarHBondContact O-N 3.08Å |
| 64 | F | 98.6 | Very high | 97.6 | Very high | 70 Ų | 70 | 41.3 Ų | 41.3 | 31% | 0.307 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -64.1 | -49.4 | 175.6 | 172.5 | -113.5 | 0 | 0 | 0 | 112 | K60 L61 D62 G67 V68 V129 D133 | K60-F64 WeakPolarHBondContact O-CB 3.06Å; K60-F64 PolarHBondContact O-N 3.19Å; L61-F64 HydrophobicContact CD1-CD1 4.31Å; L61-F64 WeakPolarHBondContact O-CB 3.12Å; L61-F64 PolarHBondContact O-N 3.46Å; D62-F64 VanDerWaalsContact C-N 3.31Å; D62-F64 PolarHBondContact O-N 3.3Å; F64-G67 PolarHBondContact O-N 3.15Å; F64-V68 HydrophobicContact CD2-CG2 4.3Å; F64-V68 HydrophobicContact CE1-CG2 4.38Å; F64-V68 HydrophobicContact CE2-CG2 3.83Å; F64-V68 HydrophobicContact CZ-CG2 3.87Å; F64-V68 WeakPolarHBondContact O-CG2 3.43Å; F64-V68 PolarHBondContact O-N 3.43Å; F64-V129 HydrophobicContact CD1-CG1 4.18Å; F64-V129 HydrophobicContact CE1-CB 4.19Å; F64-V129 HydrophobicContact CE1-CG1 3.7Å; F64-V129 HydrophobicContact CZ-CG1 4.32Å; F64-D133 HydrophobicContact CZ-CB 4.42Å |
| 65 | V | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.5 | -43.2 | -179.1 | -174.7 | 0 | 0 | 0 | 0 | 111.1 | L61 D62 G67 V68 V69 I125 V129 A293 W294 V297 | L61-V65 HydrophobicContact CD1-CG2 3.75Å; L61-V65 HydrophobicContact CG-CG2 4.1Å; L61-V65 WeakPolarHBondContact O-CG2 3.21Å; L61-V65 PolarHBondContact O-N 3.42Å; D62-V65 PolarHBondContact O-N 3.25Å; V65-G67 VanDerWaalsContact C-N 3.28Å; V65-G67 PolarHBondContact O-N 2.86Å; V65-V68 PolarHBondContact O-N 2.97Å; V65-V68 VanDerWaalsContact O-N 3.15Å; V65-V69 HydrophobicContact CG1-CG2 4.39Å; V65-V69 WeakPolarHBondContact O-CG2 3.29Å; V65-V69 PolarHBondContact O-N 3.08Å; V65-I125 HydrophobicContact CG2-CG2 4.25Å; V65-V129 HydrophobicContact CB-CG1 4.32Å; V65-V129 HydrophobicContact CG1-CG1 4.16Å; V65-V129 HydrophobicContact CG1-CG2 3.92Å; V65-V129 HydrophobicContact CG2-CB 4.27Å; V65-V129 HydrophobicContact CG2-CG1 4.03Å; V65-V129 HydrophobicContact CG2-CG2 3.96Å; V65-A293 HydrophobicContact CG1-CB 4.45Å; V65-W294 HydrophobicContact CG1-CB 3.68Å; V65-W294 HydrophobicContact CG1-CG 4.26Å; V65-V297 HydrophobicContact CG2-CG2 4.22Å |
| 66 | E | 97.8 | Very high | 97.6 | Very high | 46 Ų | 46 | 41 Ų | 41 | 22% | 0.215 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -55.5 | -45.6 | 172.9 | -175.4 | 178.8 | 158 | 0 | 0 | 111.4 | D62 V68 V69 K70 W294 | D62-E66 WeakPolarHBondContact O-CB 3.41Å; D62-E66 PolarHBondContact O-N 3.02Å; E66-V68 VanDerWaalsContact C-N 3.34Å; E66-V68 PolarHBondContact O-N 3.22Å; E66-V69 PolarHBondContact O-N 3.46Å; E66-K70 HydrophobicContact CG-CD 4.25Å; E66-K70 WeakPolarHBondContact O-CG 3.32Å; E66-K70 PolarHBondContact O-N 2.88Å; E66-K70 WeakPolarHBondContact OE1-CE 3.37Å; E66-K70 IonicContact OE1-NZ 2.85Å; E66-K70 PolarHBondContact OE1-NZ 2.78Å; E66-W294 HydrophobicContact CB-CZ2 3.88Å; E66-W294 HydrophobicContact CG-CH2 4.03Å; E66-W294 HydrophobicContact CG-CZ2 3.51Å |
| 67 | G | 97.4 | Very high | 97.6 | Very high | 26 Ų | 26 | 36.5 Ų | 36.5 | 27% | 0.268 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -59.2 | -42.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | A63 F64 V65 K70 K71 | A63-G67 PolarHBondContact O-N 3.08Å; F64-G67 PolarHBondContact O-N 3.15Å; V65-G67 VanDerWaalsContact C-N 3.28Å; V65-G67 PolarHBondContact O-N 2.86Å; G67-K70 PolarHBondContact O-N 2.79Å; G67-K71 VanDerWaalsContact O-CG 3.28Å; G67-K71 WeakPolarHBondContact O-CG 3.34Å; G67-K71 PolarHBondContact O-N 3.35Å |
| 68 | V | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -67.3 | -43.7 | 177 | 176.4 | 0 | 0 | 0 | 0 | 111.4 | F64 V65 E66 K70 K71 V72 V129 I132 D133 | F64-V68 HydrophobicContact CD2-CG2 4.3Å; F64-V68 HydrophobicContact CE1-CG2 4.38Å; F64-V68 HydrophobicContact CE2-CG2 3.83Å; F64-V68 HydrophobicContact CZ-CG2 3.87Å; F64-V68 WeakPolarHBondContact O-CG2 3.43Å; F64-V68 PolarHBondContact O-N 3.43Å; V65-V68 PolarHBondContact O-N 2.97Å; V65-V68 VanDerWaalsContact O-N 3.15Å; E66-V68 VanDerWaalsContact C-N 3.34Å; E66-V68 PolarHBondContact O-N 3.22Å; V68-K70 VanDerWaalsContact C-N 3.32Å; V68-K70 PolarHBondContact O-N 3.44Å; V68-K71 PolarHBondContact O-N 3.01Å; V68-V72 HydrophobicContact CG1-CG2 4.28Å; V68-V72 WeakPolarHBondContact O-CG2 3.41Å; V68-V72 PolarHBondContact O-N 2.86Å; V68-V129 HydrophobicContact CB-CG1 3.81Å; V68-V129 HydrophobicContact CG1-CG1 3.96Å; V68-V129 HydrophobicContact CG2-CG1 3.79Å; V68-I132 HydrophobicContact CG1-CB 4.46Å; V68-I132 HydrophobicContact CG1-CG2 3.97Å; V68-D133 HydrophobicContact CG1-CB 4.34Å; V68-D133 HydrophobicContact CG2-CB 3.81Å |
| 69 | V | 98.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -55.4 | -48.5 | 175 | 169.9 | 0 | 0 | 0 | 0 | 110.8 | V65 E66 V72 A73 F287 A290 F291 W294 L378 | V65-V69 HydrophobicContact CG1-CG2 4.39Å; V65-V69 WeakPolarHBondContact O-CG2 3.29Å; V65-V69 PolarHBondContact O-N 3.08Å; E66-V69 PolarHBondContact O-N 3.46Å; V69-V72 PolarHBondContact O-N 3.41Å; V69-A73 WeakPolarHBondContact O-CB 3.15Å; V69-A73 PolarHBondContact O-N 3.32Å; V69-F287 HydrophobicContact CG1-CE2 3.95Å; V69-A290 VanDerWaalsContact CG2-C 3.48Å; V69-A290 HydrophobicContact CG2-CB 3.73Å; V69-A290 WeakPolarHBondContact CG2-O 3.3Å; V69-F291 HydrophobicContact CG1-CD2 4.01Å; V69-W294 HydrophobicContact CG2-CB 4.25Å; V69-L378 HydrophobicContact CG1-CD1 3.74Å; V69-L378 HydrophobicContact CG1-CD2 3.88Å; V69-L378 HydrophobicContact CG1-CG 4.41Å |
| 70 | K | 97.1 | Very high | 97.2 | Very high | 78 Ų | 78 | 36 Ų | 36 | 34% | 0.339 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -62.1 | -43.3 | 177.3 | -75.7 | 175.2 | 170.2 | 170.6 | 0 | 112.3 | E66 G67 V68 A73 Q74 L378 | E66-K70 HydrophobicContact CG-CD 4.25Å; E66-K70 WeakPolarHBondContact O-CG 3.32Å; E66-K70 PolarHBondContact O-N 2.88Å; E66-K70 WeakPolarHBondContact OE1-CE 3.37Å; E66-K70 IonicContact OE1-NZ 2.85Å; E66-K70 PolarHBondContact OE1-NZ 2.78Å; G67-K70 PolarHBondContact O-N 2.79Å; V68-K70 VanDerWaalsContact C-N 3.32Å; V68-K70 PolarHBondContact O-N 3.44Å; K70-A73 PolarHBondContact O-N 3.16Å; K70-Q74 VanDerWaalsContact O-CB 3.32Å; K70-Q74 WeakPolarHBondContact O-CB 3.36Å; K70-Q74 PolarHBondContact O-N 2.9Å; K70-L378 HydrophobicContact CG-CD2 4.25Å |
| 71 | K | 97.5 | Very high | 96.8 | Very high | 94 Ų | 94 | 32.5 Ų | 32.5 | 41% | 0.409 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -61 | -45.1 | 175.9 | -73.3 | 176.6 | -157.8 | 172.3 | 0 | 112.4 | G67 V68 Q74 Y75 D133 L136 | G67-K71 VanDerWaalsContact O-CG 3.28Å; G67-K71 WeakPolarHBondContact O-CG 3.34Å; G67-K71 PolarHBondContact O-N 3.35Å; V68-K71 PolarHBondContact O-N 3.01Å; K71-Q74 PolarHBondContact O-N 3.29Å; K71-Y75 WeakPolarHBondContact O-CB 3.44Å; K71-Y75 PolarHBondContact O-N 3.29Å; K71-D133 IonicContact NZ-OD1 3.57Å; K71-D133 PolarHBondContact NZ-OD1 3.25Å; K71-L136 HydrophobicContact CB-CD2 3.87Å |
| 72 | V | 97.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.6 | -43.9 | 178.9 | 179.2 | 0 | 0 | 0 | 0 | 110.2 | V68 V69 Y75 M76 I132 L136 L283 F287 | V68-V72 HydrophobicContact CG1-CG2 4.28Å; V68-V72 WeakPolarHBondContact O-CG2 3.41Å; V68-V72 PolarHBondContact O-N 2.86Å; V69-V72 PolarHBondContact O-N 3.41Å; V72-Y75 PolarHBondContact O-N 3.02Å; V72-M76 WeakPolarHBondContact O-CB 3.17Å; V72-M76 PolarHBondContact O-N 3.47Å; V72-I132 HydrophobicContact CG2-CG2 4.07Å; V72-L136 HydrophobicContact CG2-CD2 3.87Å; V72-L283 HydrophobicContact CG1-CD2 4.14Å; V72-F287 HydrophobicContact CG1-CB 3.72Å; V72-F287 HydrophobicContact CG1-CD2 4.36Å |
| 73 | A | 96.5 | Very high | 96 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.3 | -48.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | V69 K70 Y75 M76 A77 L91 F287 L378 L379 | V69-A73 WeakPolarHBondContact O-CB 3.15Å; V69-A73 PolarHBondContact O-N 3.32Å; K70-A73 PolarHBondContact O-N 3.16Å; A73-Y75 PolarHBondContact O-N 3.39Å; A73-M76 WeakPolarHBondContact O-CB 3.21Å; A73-M76 PolarHBondContact O-N 3.29Å; A73-A77 PolarHBondContact O-N 3.25Å; A73-A77 VanDerWaalsContact O-N 3.08Å; A73-L91 HydrophobicContact CB-CD1 3.9Å; A73-L91 HydrophobicContact CB-CD2 4.14Å; A73-F287 HydrophobicContact CB-CD2 4.22Å; A73-F287 HydrophobicContact CB-CE2 3.96Å; A73-L378 HydrophobicContact CB-CB 3.98Å; A73-L379 VanDerWaalsContact C-CD2 3.45Å; A73-L379 HydrophobicContact CB-CD2 3.83Å; A73-L379 VanDerWaalsContact O-CD2 3.32Å; A73-L379 WeakPolarHBondContact O-CD2 3.18Å |
| 74 | Q | 95.8 | Very high | 95.5 | Very high | 68 Ų | 68 | 43.1 Ų | 43.1 | 32% | 0.318 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -61.4 | -45.4 | 178.8 | -174.6 | 57.7 | 50.9 | 0 | 0 | 111.3 | K70 K71 M76 A77 D78 | K70-Q74 VanDerWaalsContact O-CB 3.32Å; K70-Q74 WeakPolarHBondContact O-CB 3.36Å; K70-Q74 PolarHBondContact O-N 2.9Å; K71-Q74 PolarHBondContact O-N 3.29Å; Q74-M76 VanDerWaalsContact C-N 3.31Å; Q74-M76 PolarHBondContact O-N 3.48Å; Q74-A77 WeakPolarHBondContact O-CA 3.49Å; Q74-A77 VanDerWaalsContact O-CB 3.31Å; Q74-A77 WeakPolarHBondContact O-CB 3.38Å; Q74-A77 PolarHBondContact O-N 3.16Å; Q74-D78 PolarHBondContact NE2-OD1 2.94Å; Q74-D78 VanDerWaalsContact O-CG 3.27Å; Q74-D78 PolarHBondContact O-N 3.47Å |
| 75 | Y | 97.1 | Very high | 95 | Very high | 18 Ų | 18 | 45.6 Ų | 45.6 | 7% | 0.071 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -68.3 | -31.1 | 179.7 | -168.5 | -115.3 | 0 | 0 | 0 | 112.7 | K71 V72 A73 A77 D78 V79 L136 A140 L279 L283 | K71-Y75 WeakPolarHBondContact O-CB 3.44Å; K71-Y75 PolarHBondContact O-N 3.29Å; V72-Y75 PolarHBondContact O-N 3.02Å; A73-Y75 PolarHBondContact O-N 3.39Å; Y75-A77 VanDerWaalsContact C-N 3.3Å; Y75-A77 PolarHBondContact O-N 2.87Å; Y75-D78 HydrophobicContact CD2-CB 4.36Å; Y75-D78 PolarHBondContact O-N 2.85Å; Y75-V79 HydrophobicContact CD1-CG2 4.12Å; Y75-V79 HydrophobicContact CE1-CG2 3.68Å; Y75-V79 HydrophobicContact CE2-CG2 4.09Å; Y75-V79 WeakPolarHBondContact O-CB 3.09Å; Y75-V79 VanDerWaalsContact O-CG2 3.3Å; Y75-V79 WeakPolarHBondContact O-CG2 3.33Å; Y75-V79 PolarHBondContact O-N 3.03Å; Y75-L136 HydrophobicContact CD1-CD1 3.63Å; Y75-L136 HydrophobicContact CE1-CD1 4.41Å; Y75-L136 HydrophobicContact CG-CD1 4.18Å; Y75-A140 HydrophobicContact CD1-CB 4.26Å; Y75-A140 HydrophobicContact CD2-CB 4.31Å; Y75-A140 HydrophobicContact CE1-CB 3.73Å; Y75-A140 HydrophobicContact CE2-CB 3.81Å; Y75-A140 WeakPolarHBondContact OH-CA 3.42Å; Y75-L279 HydrophobicContact CE1-CD1 4.28Å; Y75-L279 HydrophobicContact CE1-CD2 4.15Å; Y75-L283 HydrophobicContact CD1-CD1 3.9Å; Y75-L283 HydrophobicContact CD1-CD2 3.79Å; Y75-L283 HydrophobicContact CD1-CG 4.47Å; Y75-L283 HydrophobicContact CE1-CD1 4.25Å; Y75-L283 HydrophobicContact CE1-CD2 4.5Å |
| 76 | M | 96.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58.7 | -43.3 | 167.3 | 179.1 | 72.1 | 80.2 | 0 | 0 | 111.2 | V72 A73 Q74 V79 L80 V87 N90 L91 V280 L283 K284 | V72-M76 WeakPolarHBondContact O-CB 3.17Å; V72-M76 PolarHBondContact O-N 3.47Å; A73-M76 WeakPolarHBondContact O-CB 3.21Å; A73-M76 PolarHBondContact O-N 3.29Å; Q74-M76 VanDerWaalsContact C-N 3.31Å; Q74-M76 PolarHBondContact O-N 3.48Å; M76-V79 PolarHBondContact O-N 3.34Å; M76-L80 HydrophobicContact CG-CD1 4.05Å; M76-L80 WeakPolarHBondContact O-CB 3.15Å; M76-L80 WeakPolarHBondContact O-CG 3.39Å; M76-L80 PolarHBondContact O-N 3.3Å; M76-L80 HydrophobicContact SD-CD1 3.77Å; M76-L80 HydrophobicContact SD-CG 4.27Å; M76-V87 HydrophobicContact CG-CG1 4.24Å; M76-N90 HydrophobicContact CE-CB 3.8Å; M76-N90 HydrophobicContact CG-CB 4.35Å; M76-N90 HydrophobicContact SD-CB 4.03Å; M76-L91 HydrophobicContact CB-CD2 4.2Å; M76-L91 HydrophobicContact CG-CD2 4.15Å; M76-V280 HydrophobicContact SD-CG1 4.21Å; M76-L283 HydrophobicContact CE-CB 3.4Å; M76-L283 HydrophobicContact SD-CB 4.2Å; M76-L283 HydrophobicContact SD-CD1 4.37Å; M76-K284 HydrophobicContact CE-CB 4.16Å |
| 77 | A | 95.6 | Very high | 94.3 | Very high | 6 Ų | 6 | 48.1 Ų | 48.1 | 5% | 0.05 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65 | -38.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | A73 Q74 Y75 L80 E81 V87 L379 F381 | A73-A77 PolarHBondContact O-N 3.25Å; A73-A77 VanDerWaalsContact O-N 3.08Å; Q74-A77 WeakPolarHBondContact O-CA 3.49Å; Q74-A77 VanDerWaalsContact O-CB 3.31Å; Q74-A77 WeakPolarHBondContact O-CB 3.38Å; Q74-A77 PolarHBondContact O-N 3.16Å; Y75-A77 VanDerWaalsContact C-N 3.3Å; Y75-A77 PolarHBondContact O-N 2.87Å; A77-L80 CarbonylContact O-C 3.56Å; A77-L80 PolarHBondContact O-N 3.34Å; A77-E81 PolarHBondContact O-N 3.28Å; A77-V87 HydrophobicContact CB-CG1 4.1Å; A77-V87 HydrophobicContact CB-CG2 4.12Å; A77-L379 HydrophobicContact CB-CD2 4.09Å; A77-F381 HydrophobicContact CB-CE1 4.49Å |
| 78 | D | 94.7 | Very high | 94.1 | Very high | 76 Ų | 76 | 52 Ų | 52 | 41% | 0.406 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -69.2 | -38.6 | 178.1 | -59.5 | -19.9 | 0 | 0 | 0 | 112 | Q74 Y75 E81 | Q74-D78 PolarHBondContact NE2-OD1 2.94Å; Q74-D78 VanDerWaalsContact O-CG 3.27Å; Q74-D78 PolarHBondContact O-N 3.47Å; Y75-D78 HydrophobicContact CD2-CB 4.36Å; Y75-D78 PolarHBondContact O-N 2.85Å; D78-E81 WeakPolarHBondContact O-CB 3.46Å; D78-E81 PolarHBondContact O-N 2.85Å |
| 79 | V | 94.9 | Very high | 93.8 | Very high | 14 Ų | 14 | 58.1 Ų | 58.1 | 9% | 0.085 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -70.4 | -34.2 | 176.2 | 171.4 | 0 | 0 | 0 | 0 | 111.3 | Y75 M76 E81 Y143 F276 L279 V280 L283 | Y75-V79 HydrophobicContact CD1-CG2 4.12Å; Y75-V79 HydrophobicContact CE1-CG2 3.68Å; Y75-V79 HydrophobicContact CE2-CG2 4.09Å; Y75-V79 WeakPolarHBondContact O-CB 3.09Å; Y75-V79 VanDerWaalsContact O-CG2 3.3Å; Y75-V79 WeakPolarHBondContact O-CG2 3.33Å; Y75-V79 PolarHBondContact O-N 3.03Å; M76-V79 PolarHBondContact O-N 3.34Å; V79-E81 VanDerWaalsContact C-N 3.3Å; V79-E81 PolarHBondContact O-N 2.76Å; V79-Y143 HydrophobicContact CG2-CE1 4.48Å; V79-F276 HydrophobicContact CG1-CD2 3.93Å; V79-F276 HydrophobicContact CG1-CE2 3.67Å; V79-L279 HydrophobicContact CG1-CD2 4.32Å; V79-L279 HydrophobicContact CG2-CD2 3.87Å; V79-V280 HydrophobicContact CG1-CG2 3.9Å; V79-L283 HydrophobicContact CG2-CD1 4.21Å |
| 80 | L | 94.7 | Very high | 93.6 | Very high | 16 Ų | 16 | 59.5 Ų | 59.5 | 8% | 0.084 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | 34.3 | 176 | -61.8 | 178.6 | 0 | 0 | 0 | 112.3 | M76 A77 D82 S83 K84 V87 F276 V280 | M76-L80 HydrophobicContact CG-CD1 4.05Å; M76-L80 WeakPolarHBondContact O-CB 3.15Å; M76-L80 WeakPolarHBondContact O-CG 3.39Å; M76-L80 PolarHBondContact O-N 3.3Å; M76-L80 HydrophobicContact SD-CD1 3.77Å; M76-L80 HydrophobicContact SD-CG 4.27Å; A77-L80 CarbonylContact O-C 3.56Å; A77-L80 PolarHBondContact O-N 3.34Å; L80-D82 PolarHBondContact O-N 2.9Å; L80-D82 VanDerWaalsContact O-N 3.17Å; L80-S83 CarbonylContact O-C 3.6Å; L80-S83 WeakPolarHBondContact O-CA 3.47Å; L80-S83 PolarHBondContact O-N 3.39Å; L80-K84 PolarHBondContact O-N 2.99Å; L80-K84 VanDerWaalsContact O-N 3.15Å; L80-V87 HydrophobicContact CB-CG2 3.96Å; L80-V87 HydrophobicContact CD1-CG2 4.13Å; L80-F276 HydrophobicContact CD2-CE2 4.32Å; L80-F276 HydrophobicContact CD2-CZ 3.83Å; L80-V280 HydrophobicContact CD2-CG2 4.27Å |
| 81 | E | 90.5 | Very high | 93.6 | Very high | 84 Ų | 84 | 56 Ų | 56 | 39% | 0.393 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | -55.3 | -35.2 | -177.7 | 67.8 | -170.2 | 162.6 | 0 | 0 | 113.4 | A77 D78 V79 S83 K147 | A77-E81 PolarHBondContact O-N 3.28Å; D78-E81 WeakPolarHBondContact O-CB 3.46Å; D78-E81 PolarHBondContact O-N 2.85Å; V79-E81 VanDerWaalsContact C-N 3.3Å; V79-E81 PolarHBondContact O-N 2.76Å; E81-S83 VanDerWaalsContact C-N 3.28Å; E81-S83 PolarHBondContact O-N 3.29Å; E81-K147 VanDerWaalsContact OE1-CE 3.32Å; E81-K147 WeakPolarHBondContact OE1-CE 3.28Å; E81-K147 IonicContact OE1-NZ 2.73Å; E81-K147 PolarHBondContact OE1-NZ 3.2Å; E81-K147 IonicContact OE2-NZ 3.51Å; E81-K147 PolarHBondContact OE2-NZ 2.62Å |
| 82 | D | 89.9 | Confident | 93.5 | Very high | 152 Ų | 152 | 53.3 Ų | 53.3 | 81% | 0.813 | 27% | 0.265 | S | S | * | . | G | 310 helix | trans | -81.6 | -2.7 | 177.7 | -62.6 | -38.3 | 0 | 0 | 0 | 113.3 | L80 | L80-D82 PolarHBondContact O-N 2.9Å; L80-D82 VanDerWaalsContact O-N 3.17Å |
| 83 | S | 90.5 | Very high | 93.5 | Very high | 37 Ų | 37 | 53.3 Ų | 53.3 | 26% | 0.259 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | -150.1 | 50.6 | -176.3 | -63.2 | 0 | 0 | 0 | 0 | 111.5 | L80 E81 D85 K86 | L80-S83 CarbonylContact O-C 3.6Å; L80-S83 WeakPolarHBondContact O-CA 3.47Å; L80-S83 PolarHBondContact O-N 3.39Å; E81-S83 VanDerWaalsContact C-N 3.28Å; E81-S83 PolarHBondContact O-N 3.29Å; S83-D85 WeakPolarHBondContact CA-OD1 3.11Å; S83-D85 PolarHBondContact O-N 3.03Å; S83-K86 WeakPolarHBondContact O-CB 3.47Å; S83-K86 PolarHBondContact O-N 2.88Å |
| 84 | K | 86.7 | Confident | 93.4 | Very high | 121 Ų | 121 | 59.3 Ų | 59.3 | 53% | 0.526 | 30% | 0.297 | S | S | . | . | G | 310 helix | trans | -58.4 | -30.2 | -176.3 | -69.3 | -174.5 | 179.7 | -178.8 | 0 | 113.7 | L80 K86 V87 | L80-K84 PolarHBondContact O-N 2.99Å; L80-K84 VanDerWaalsContact O-N 3.15Å; K84-K86 PolarHBondContact O-N 3.08Å; K84-V87 WeakPolarHBondContact O-CB 3.47Å; K84-V87 VanDerWaalsContact O-CG2 3.26Å; K84-V87 WeakPolarHBondContact O-CG2 3.23Å; K84-V87 PolarHBondContact O-N 3.48Å |
| 85 | D | 87.7 | Confident | 93.4 | Very high | 121 Ų | 121 | 59 Ų | 59 | 65% | 0.647 | 31% | 0.312 | S | S | * | . | G | 310 helix | trans | -59.9 | -32.1 | 174.4 | 59.1 | -50.5 | 0 | 0 | 0 | 112.6 | S83 V87 | S83-D85 WeakPolarHBondContact CA-OD1 3.11Å; S83-D85 PolarHBondContact O-N 3.03Å; D85-V87 VanDerWaalsContact C-N 3.33Å; D85-V87 PolarHBondContact O-N 3.47Å |
| 86 | K | 89.8 | Confident | 93.4 | Very high | 99 Ų | 99 | 61 Ų | 61 | 43% | 0.43 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -83.6 | -5.1 | -179.9 | -60.3 | -176.6 | -176.5 | 167.2 | 0 | 114 | S83 K84 Q88 E89 N90 | S83-K86 WeakPolarHBondContact O-CB 3.47Å; S83-K86 PolarHBondContact O-N 2.88Å; K84-K86 PolarHBondContact O-N 3.08Å; K86-Q88 VanDerWaalsContact C-N 3.35Å; K86-Q88 PolarHBondContact O-N 3.19Å; K86-E89 PolarHBondContact O-N 3.43Å; K86-N90 PolarHBondContact O-ND2 2.84Å |
| 87 | V | 93.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.2 | -46.3 | -176.8 | 175.9 | 0 | 0 | 0 | 0 | 110.4 | M76 A77 L80 K84 D85 E89 N90 L91 L379 | M76-V87 HydrophobicContact CG-CG1 4.24Å; A77-V87 HydrophobicContact CB-CG1 4.1Å; A77-V87 HydrophobicContact CB-CG2 4.12Å; L80-V87 HydrophobicContact CB-CG2 3.96Å; L80-V87 HydrophobicContact CD1-CG2 4.13Å; K84-V87 WeakPolarHBondContact O-CB 3.47Å; K84-V87 VanDerWaalsContact O-CG2 3.26Å; K84-V87 WeakPolarHBondContact O-CG2 3.23Å; K84-V87 PolarHBondContact O-N 3.48Å; D85-V87 VanDerWaalsContact C-N 3.33Å; D85-V87 PolarHBondContact O-N 3.47Å; V87-E89 VanDerWaalsContact C-N 3.27Å; V87-E89 PolarHBondContact O-N 2.94Å; V87-N90 WeakPolarHBondContact O-CB 3.49Å; V87-N90 PolarHBondContact O-N 3.25Å; V87-L91 HydrophobicContact CG1-CD1 3.94Å; V87-L91 HydrophobicContact CG1-CG 4.17Å; V87-L91 WeakPolarHBondContact O-CG 3.2Å; V87-L91 PolarHBondContact O-N 3.39Å; V87-L379 HydrophobicContact CB-CD1 4.49Å; V87-L379 HydrophobicContact CG1-CD1 3.59Å |
| 88 | Q | 91.4 | Very high | 93.3 | Very high | 107 Ų | 107 | 65 Ų | 65 | 50% | 0.5 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61.6 | -34.1 | -178.1 | -66.6 | -65.1 | -24.4 | 0 | 0 | 112.8 | K86 N90 L91 | K86-Q88 VanDerWaalsContact C-N 3.35Å; K86-Q88 PolarHBondContact O-N 3.19Å; Q88-N90 PolarHBondContact O-N 3.48Å; Q88-L91 PolarHBondContact O-N 3.34Å |
| 89 | E | 92.4 | Very high | 93.2 | Very high | 129 Ų | 129 | 63.4 Ų | 63.4 | 60% | 0.603 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -66.7 | -19.2 | 176.4 | -57.2 | -179.1 | 167.6 | 0 | 0 | 112.9 | K86 V87 L92 | K86-E89 PolarHBondContact O-N 3.43Å; V87-E89 VanDerWaalsContact C-N 3.27Å; V87-E89 PolarHBondContact O-N 2.94Å; E89-L92 WeakPolarHBondContact O-CD1 3.31Å |
| 90 | N | 94.5 | Very high | 93.2 | Very high | 30 Ų | 30 | 64.8 Ų | 64.8 | 16% | 0.16 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -96.7 | -18.2 | 177.2 | -70.1 | -79.6 | 0 | 0 | 0 | 113 | M76 K86 V87 Q88 L92 | M76-N90 HydrophobicContact CE-CB 3.8Å; M76-N90 HydrophobicContact CG-CB 4.35Å; M76-N90 HydrophobicContact SD-CB 4.03Å; K86-N90 PolarHBondContact O-ND2 2.84Å; V87-N90 WeakPolarHBondContact O-CB 3.49Å; V87-N90 PolarHBondContact O-N 3.25Å; Q88-N90 PolarHBondContact O-N 3.48Å; N90-L92 VanDerWaalsContact C-N 3.33Å; N90-L92 PolarHBondContact O-N 2.94Å |
| 91 | L | 96.3 | Very high | 93.3 | Very high | 4 Ų | 4 | 65.2 Ų | 65.2 | 2% | 0.021 | 35% | 0.348 | C | S | . | . | trans | -90.2 | 65.5 | 179 | -60.1 | -173.8 | 0 | 0 | 0 | 111.3 | A73 M76 V87 Q88 F287 L379 | A73-L91 HydrophobicContact CB-CD1 3.9Å; A73-L91 HydrophobicContact CB-CD2 4.14Å; M76-L91 HydrophobicContact CB-CD2 4.2Å; M76-L91 HydrophobicContact CG-CD2 4.15Å; V87-L91 HydrophobicContact CG1-CD1 3.94Å; V87-L91 HydrophobicContact CG1-CG 4.17Å; V87-L91 WeakPolarHBondContact O-CG 3.2Å; V87-L91 PolarHBondContact O-N 3.39Å; Q88-L91 PolarHBondContact O-N 3.34Å; L91-F287 VanDerWaalsContact CA-CE1 3.41Å; L91-F287 HydrophobicContact CB-CD1 4.16Å; L91-F287 HydrophobicContact CB-CE1 3.67Å; L91-F287 HydrophobicContact CB-CE2 4.35Å; L91-F287 HydrophobicContact CB-CZ 3.77Å; L91-F287 HydrophobicContact CD2-CD1 4.04Å; L91-F287 HydrophobicContact CD2-CD2 3.68Å; L91-F287 HydrophobicContact CD2-CE1 4.22Å; L91-F287 HydrophobicContact CD2-CE2 3.85Å; L91-F287 HydrophobicContact CD2-CG 3.77Å; L91-F287 HydrophobicContact CD2-CZ 4.13Å; L91-F287 HydrophobicContact CG-CE1 4.5Å; L91-F287 HydrophobicContact CG-CE2 4.47Å; L91-F287 HydrophobicContact CG-CZ 4.37Å; L91-L379 HydrophobicContact CD1-CD1 3.87Å; L91-L379 HydrophobicContact CD1-CD2 4.32Å; L91-L379 HydrophobicContact CD1-CG 4.14Å | ||
| 92 | L | 96.9 | Very high | 93.6 | Very high | 37 Ų | 37 | 61.2 Ų | 61.2 | 19% | 0.194 | 33% | 0.33 | C | S | . | . | trans | -108 | 151.5 | 179.5 | -55.7 | -179.3 | 0 | 0 | 0 | 111.3 | E89 N90 V96 S288 | E89-L92 WeakPolarHBondContact O-CD1 3.31Å; N90-L92 VanDerWaalsContact C-N 3.33Å; N90-L92 PolarHBondContact O-N 2.94Å; L92-V96 WeakPolarHBondContact CA-O 3.28Å; L92-V96 WeakPolarHBondContact CB-O 3.26Å; L92-S288 WeakPolarHBondContact O-CA 3.34Å; L92-S288 VanDerWaalsContact O-CB 3.3Å; L92-S288 WeakPolarHBondContact O-CB 3.33Å | ||
| 93 | A | 96.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 30% | 0.304 | C | S | . | . | B | Isolated β-bridge | trans | -110.8 | 116.1 | 173 | 0 | 0 | 0 | 0 | 0 | 109.3 | G95 V96 L98 Y101 F291 I292 | A93-G95 PolarHBondContact O-N 3.44Å; A93-V96 PolarHBondContact N-O 3.39Å; A93-V96 WeakPolarHBondContact O-CG2 3.34Å; A93-V96 PolarHBondContact O-N 3.33Å; A93-V96 VanDerWaalsContact O-N 3.09Å; A93-L98 HydrophobicContact CB-CD2 3.97Å; A93-Y101 HydrophobicContact CB-CD1 4.09Å; A93-Y101 HydrophobicContact CB-CD2 3.83Å; A93-Y101 HydrophobicContact CB-CE2 4.47Å; A93-Y101 HydrophobicContact CB-CG 3.64Å; A93-F291 HydrophobicContact CB-CD1 3.58Å; A93-F291 HydrophobicContact CB-CE1 4.14Å; A93-F291 HydrophobicContact CB-CG 4.38Å; A93-I292 HydrophobicContact CB-CG1 4.46Å |
| 94 | N | 95.2 | Very high | 94.1 | Very high | 126 Ų | 126 | 63.7 Ų | 63.7 | 67% | 0.674 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.6 | 37.3 | -174.1 | -160 | 27.1 | 0 | 0 | 0 | 113.6 | V96 Y101 S288 I292 | N94-V96 VanDerWaalsContact C-N 3.27Å; N94-V96 PolarHBondContact O-N 3.46Å; N94-Y101 HydrophobicContact CB-CE2 4.47Å; N94-S288 PolarHBondContact N-OG 2.87Å; N94-I292 HydrophobicContact CB-CD1 4.05Å |
| 95 | G | 95.2 | Very high | 94.7 | Very high | 61 Ų | 61 | 58.3 Ų | 58.3 | 63% | 0.629 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.3 | 0.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | A93 | A93-G95 PolarHBondContact O-N 3.44Š|
| 96 | V | 96.6 | Very high | 95.1 | Very high | 61 Ų | 61 | 60 Ų | 60 | 37% | 0.37 | 31% | 0.307 | S | S | . | . | B | Isolated β-bridge | trans | -112.5 | 160.9 | 173.4 | -60.8 | 0 | 0 | 0 | 0 | 111.2 | L92 A93 N94 T100 Y101 | L92-V96 WeakPolarHBondContact CA-O 3.28Å; L92-V96 WeakPolarHBondContact CB-O 3.26Å; A93-V96 PolarHBondContact N-O 3.39Å; A93-V96 WeakPolarHBondContact O-CG2 3.34Å; A93-V96 PolarHBondContact O-N 3.33Å; A93-V96 VanDerWaalsContact O-N 3.09Å; N94-V96 VanDerWaalsContact C-N 3.27Å; N94-V96 PolarHBondContact O-N 3.46Å; V96-T100 HydrophobicContact CB-CG2 4.37Å; V96-T100 HydrophobicContact CG2-CG2 4.49Å; V96-Y101 HydrophobicContact CG2-CD2 4.38Å |
| 97 | D | 94.9 | Very high | 95.5 | Very high | 73 Ų | 73 | 56.4 Ų | 56.4 | 39% | 0.39 | 29% | 0.291 | S | S | . | . | trans | -65.5 | 156.5 | 175.6 | 72.6 | 89.4 | 0 | 0 | 0 | 111.7 | V99 T100 Y101 | D97-V99 VanDerWaalsContact C-N 3.29Å; D97-V99 PolarHBondContact O-N 3.09Å; D97-V99 WeakPolarHBondContact OD1-CA 3.4Å; D97-V99 WeakPolarHBondContact OD1-CB 3.33Å; D97-V99 PolarHBondContact OD1-N 3.07Å; D97-V99 VanDerWaalsContact OD1-N 3.08Å; D97-T100 VanDerWaalsContact CG-OG1 3.3Å; D97-T100 PolarHBondContact O-N 3.27Å; D97-T100 PolarHBondContact OD1-N 2.97Å; D97-T100 PolarHBondContact OD1-OG1 3.32Å; D97-T100 WeakPolarHBondContact OD2-CB 3.49Å; D97-T100 PolarHBondContact OD2-OG1 2.85Å; D97-Y101 PolarHBondContact O-N 2.98Å | ||
| 98 | L | 95.7 | Very high | 95.7 | Very high | 17 Ų | 17 | 58.5 Ų | 58.5 | 9% | 0.089 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.3 | -34.9 | -172.9 | -53.5 | -175.8 | 0 | 0 | 0 | 113.2 | A93 Y101 I102 F287 F291 C376 L378 | A93-L98 HydrophobicContact CB-CD2 3.97Å; L98-Y101 PolarHBondContact O-N 2.97Å; L98-I102 VanDerWaalsContact O-CG1 3.26Å; L98-I102 WeakPolarHBondContact O-CG1 3.45Å; L98-I102 PolarHBondContact O-N 3.45Å; L98-F287 HydrophobicContact CD1-CZ 4.17Å; L98-F287 HydrophobicContact CD2-CE1 3.87Å; L98-F287 HydrophobicContact CD2-CZ 4.04Å; L98-F291 HydrophobicContact CB-CE1 4.26Å; L98-F291 HydrophobicContact CB-CE2 4.38Å; L98-F291 HydrophobicContact CB-CZ 3.81Å; L98-F291 HydrophobicContact CD1-CD2 4.39Å; L98-F291 HydrophobicContact CD1-CE2 3.85Å; L98-F291 HydrophobicContact CD1-CZ 4.14Å; L98-F291 HydrophobicContact CD2-CD1 3.92Å; L98-F291 HydrophobicContact CD2-CD2 4.02Å; L98-F291 HydrophobicContact CD2-CE1 3.77Å; L98-F291 HydrophobicContact CD2-CE2 3.91Å; L98-F291 HydrophobicContact CD2-CG 4.03Å; L98-F291 HydrophobicContact CD2-CZ 3.76Å; L98-F291 HydrophobicContact CG-CE2 4.26Å; L98-F291 HydrophobicContact CG-CZ 4.1Å; L98-C376 HydrophobicContact CD1-CB 4.48Å; L98-L378 HydrophobicContact CD1-CD1 3.7Å |
| 99 | V | 94 | Very high | 95.9 | Very high | 42 Ų | 42 | 58.1 Ų | 58.1 | 26% | 0.255 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -68 | -47.8 | 179.7 | 167 | 0 | 0 | 0 | 0 | 109.6 | T2 F4 D97 Y101 I102 T103 | T2-V99 HydrophobicContact CG2-CG2 3.76Å; F4-V99 HydrophobicContact CE2-CG2 4.23Å; F4-V99 HydrophobicContact CZ-CB 4.24Å; F4-V99 HydrophobicContact CZ-CG1 3.99Å; F4-V99 HydrophobicContact CZ-CG2 4.08Å; D97-V99 VanDerWaalsContact C-N 3.29Å; D97-V99 PolarHBondContact O-N 3.09Å; D97-V99 WeakPolarHBondContact OD1-CA 3.4Å; D97-V99 WeakPolarHBondContact OD1-CB 3.33Å; D97-V99 PolarHBondContact OD1-N 3.07Å; D97-V99 VanDerWaalsContact OD1-N 3.08Å; V99-Y101 VanDerWaalsContact C-N 3.34Å; V99-Y101 PolarHBondContact O-N 3.4Å; V99-I102 PolarHBondContact O-N 3.3Å; V99-T103 HydrophobicContact CG1-CG2 4.48Å; V99-T103 WeakPolarHBondContact O-CB 3.49Å; V99-T103 VanDerWaalsContact O-CG2 3.24Å; V99-T103 WeakPolarHBondContact O-CG2 3.32Å; V99-T103 PolarHBondContact O-N 3.39Å; V99-T103 PolarHBondContact O-OG1 2.92Å |
| 100 | T | 95.1 | Very high | 96 | Very high | 43 Ų | 43 | 56.3 Ų | 56.3 | 26% | 0.264 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -61 | -42.6 | 174.9 | -61.7 | 0 | 0 | 0 | 0 | 111.6 | V96 D97 T103 R104 | V96-T100 HydrophobicContact CB-CG2 4.37Å; V96-T100 HydrophobicContact CG2-CG2 4.49Å; D97-T100 VanDerWaalsContact CG-OG1 3.3Å; D97-T100 PolarHBondContact O-N 3.27Å; D97-T100 PolarHBondContact OD1-N 2.97Å; D97-T100 PolarHBondContact OD1-OG1 3.32Å; D97-T100 WeakPolarHBondContact OD2-CB 3.49Å; D97-T100 PolarHBondContact OD2-OG1 2.85Å; T100-T103 WeakPolarHBondContact CA-OG1 3.46Å; T100-T103 PolarHBondContact O-OG1 2.82Å; T100-R104 WeakPolarHBondContact O-CB 3.49Å; T100-R104 PolarHBondContact O-N 3.48Å |
| 101 | Y | 96.5 | Very high | 96.1 | Very high | 26 Ų | 26 | 58.2 Ų | 58.2 | 10% | 0.102 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.2 | -51.6 | 178.5 | -177.8 | -93 | 0 | 0 | 0 | 112.3 | A93 N94 V96 D97 L98 V99 R104 F105 F291 I292 I295 | A93-Y101 HydrophobicContact CB-CD1 4.09Å; A93-Y101 HydrophobicContact CB-CD2 3.83Å; A93-Y101 HydrophobicContact CB-CE2 4.47Å; A93-Y101 HydrophobicContact CB-CG 3.64Å; N94-Y101 HydrophobicContact CB-CE2 4.47Å; V96-Y101 HydrophobicContact CG2-CD2 4.38Å; D97-Y101 PolarHBondContact O-N 2.98Å; L98-Y101 PolarHBondContact O-N 2.97Å; V99-Y101 VanDerWaalsContact C-N 3.34Å; V99-Y101 PolarHBondContact O-N 3.4Å; Y101-R104 CarbonylContact O-C 3.42Å; Y101-R104 PolarHBondContact O-N 2.85Å; Y101-F105 HydrophobicContact CE1-CD2 4.35Å; Y101-F105 WeakPolarHBondContact O-CA 3.47Å; Y101-F105 PolarHBondContact O-N 2.74Å; Y101-F291 HydrophobicContact CD1-CD1 4.1Å; Y101-F291 AromaticContact CD1-CE1 3.8Å; Y101-F291 HydrophobicContact CD1-CE1 3.8Å; Y101-F291 HydrophobicContact CE1-CD1 4.42Å; Y101-F291 HydrophobicContact CE1-CE1 4.43Å; Y101-I292 HydrophobicContact CE1-CG1 4.34Å; Y101-I292 HydrophobicContact CE2-CD1 4.5Å; Y101-I292 HydrophobicContact CE2-CG1 3.86Å; Y101-I292 WeakPolarHBondContact OH-CG2 3.18Å; Y101-I295 HydrophobicContact CD1-CG1 4.27Å; Y101-I295 HydrophobicContact CE1-CB 4.06Å; Y101-I295 HydrophobicContact CE1-CG1 3.92Å; Y101-I295 HydrophobicContact CE1-CG2 4.37Å |
| 102 | I | 96.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -65.6 | -44.7 | -178.1 | -62.1 | 166.9 | 0 | 0 | 0 | 110.5 | F4 L98 V99 R104 F105 F291 I295 L320 I374 C376 | F4-I102 HydrophobicContact CD2-CD1 3.85Å; F4-I102 HydrophobicContact CD2-CG2 4.41Å; F4-I102 HydrophobicContact CE2-CD1 3.85Å; F4-I102 HydrophobicContact CG-CG2 4.38Å; L98-I102 VanDerWaalsContact O-CG1 3.26Å; L98-I102 WeakPolarHBondContact O-CG1 3.45Å; L98-I102 PolarHBondContact O-N 3.45Å; V99-I102 PolarHBondContact O-N 3.3Å; I102-R104 PolarHBondContact O-N 2.92Å; I102-F105 WeakPolarHBondContact O-CB 3.35Å; I102-F105 PolarHBondContact O-N 3.23Å; I102-F291 HydrophobicContact CD1-CE1 4.35Å; I102-F291 HydrophobicContact CD1-CZ 3.8Å; I102-F291 HydrophobicContact CG1-CE1 4.06Å; I102-F291 HydrophobicContact CG1-CZ 4.02Å; I102-I295 HydrophobicContact CD1-CD1 4.22Å; I102-I295 HydrophobicContact CG1-CD1 3.93Å; I102-I295 HydrophobicContact CG1-CG1 4.23Å; I102-L320 HydrophobicContact CG2-CD1 3.69Å; I102-L320 HydrophobicContact CG2-CD2 3.58Å; I102-L320 HydrophobicContact CG2-CG 4.28Å; I102-I374 HydrophobicContact CD1-CG2 3.83Å; I102-I374 HydrophobicContact CG2-CD1 4.41Å; I102-C376 WeakPolarHBondContact CD1-SG 3.14Å |
| 103 | T | 95.6 | Very high | 96.1 | Very high | 43 Ų | 43 | 58.8 Ų | 58.8 | 26% | 0.264 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -67.4 | -25.4 | -177.4 | 54.6 | 0 | 0 | 0 | 0 | 113.4 | F4 V99 T100 L320 | F4-T103 HydrophobicContact CE1-CG2 3.77Å; F4-T103 HydrophobicContact CZ-CG2 4.18Å; V99-T103 HydrophobicContact CG1-CG2 4.48Å; V99-T103 WeakPolarHBondContact O-CB 3.49Å; V99-T103 VanDerWaalsContact O-CG2 3.24Å; V99-T103 WeakPolarHBondContact O-CG2 3.32Å; V99-T103 PolarHBondContact O-N 3.39Å; V99-T103 PolarHBondContact O-OG1 2.92Å; T100-T103 WeakPolarHBondContact CA-OG1 3.46Å; T100-T103 PolarHBondContact O-OG1 2.82Å; T103-L320 HydrophobicContact CG2-CD2 3.99Å |
| 104 | R | 95.8 | Very high | 96.1 | Very high | 197 Ų | 197 | 61 Ų | 61 | 74% | 0.743 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.6 | 29.7 | 176.9 | -58.5 | -174.7 | 176.7 | -171.7 | -0.5 | 112.5 | T100 Y101 I102 Q106 | T100-R104 WeakPolarHBondContact O-CB 3.49Å; T100-R104 PolarHBondContact O-N 3.48Å; Y101-R104 CarbonylContact O-C 3.42Å; Y101-R104 PolarHBondContact O-N 2.85Å; I102-R104 PolarHBondContact O-N 2.92Å; R104-Q106 PolarHBondContact O-N 3.33Å |
| 105 | F | 97.6 | Very high | 96.1 | Very high | 8 Ų | 8 | 63.2 Ų | 63.2 | 4% | 0.035 | 34% | 0.336 | C | S | . | . | trans | -51.4 | 130.8 | -178.3 | 172.9 | -102.4 | 0 | 0 | 0 | 111.5 | F38 Y101 I102 W107 I295 H296 A299 | F38-F105 HydrophobicContact CD1-CD1 4.25Å; F38-F105 HydrophobicContact CD2-CB 4.06Å; F38-F105 HydrophobicContact CD2-CD1 4.16Å; F38-F105 HydrophobicContact CD2-CG 4.35Å; F38-F105 AromaticContact CE1-CD1 3.62Å; F38-F105 HydrophobicContact CE1-CD1 3.62Å; F38-F105 AromaticContact CE1-CE1 3.71Å; F38-F105 HydrophobicContact CE1-CE1 3.71Å; F38-F105 HydrophobicContact CE1-CG 4.4Å; F38-F105 HydrophobicContact CE2-CB 3.54Å; F38-F105 AromaticContact CE2-CD1 3.53Å; F38-F105 HydrophobicContact CE2-CD1 3.53Å; F38-F105 HydrophobicContact CE2-CD2 4.34Å; F38-F105 HydrophobicContact CE2-CE1 4.32Å; F38-F105 AromaticContact CE2-CG 3.53Å; F38-F105 HydrophobicContact CE2-CG 3.53Å; F38-F105 HydrophobicContact CG-CD1 4.49Å; F38-F105 HydrophobicContact CZ-CB 4.12Å; F38-F105 AromaticContact CZ-CD1 3.22Å; F38-F105 HydrophobicContact CZ-CD1 3.22Å; F38-F105 HydrophobicContact CZ-CD2 4.17Å; F38-F105 AromaticContact CZ-CE1 3.56Å; F38-F105 HydrophobicContact CZ-CE1 3.56Å; F38-F105 HydrophobicContact CZ-CE2 4.44Å; F38-F105 AromaticContact CZ-CG 3.56Å; F38-F105 HydrophobicContact CZ-CG 3.56Å; F38-F105 HydrophobicContact CZ-CZ 4.16Å; Y101-F105 HydrophobicContact CE1-CD2 4.35Å; Y101-F105 WeakPolarHBondContact O-CA 3.47Å; Y101-F105 PolarHBondContact O-N 2.74Å; I102-F105 WeakPolarHBondContact O-CB 3.35Å; I102-F105 PolarHBondContact O-N 3.23Å; F105-W107 HydrophobicContact CE1-CE3 4.39Å; F105-W107 HydrophobicContact CZ-CE3 4.01Å; F105-I295 HydrophobicContact CD2-CB 4.42Å; F105-I295 HydrophobicContact CD2-CG2 3.51Å; F105-I295 HydrophobicContact CE2-CB 4.44Å; F105-I295 HydrophobicContact CE2-CG2 3.79Å; F105-I295 HydrophobicContact CG-CG2 4.17Å; F105-H296 AromaticContact CE2-CE1 3.64Å; F105-H296 AromaticContact CE2-ND1 3.85Å; F105-H296 AromaticContact CE2-NE2 3.86Å; F105-H296 AromaticContact CZ-NE2 3.93Å; F105-A299 HydrophobicContact CE1-CB 4.19Å; F105-A299 HydrophobicContact CZ-CB 4.11Å | ||
| 106 | Q | 96.8 | Very high | 96.1 | Very high | 157 Ų | 157 | 63.2 Ų | 63.2 | 73% | 0.734 | 32% | 0.319 | S | S | * | . | trans | -128.8 | 136.4 | 169.4 | -66.7 | -174.9 | 3.2 | 0 | 0 | 108.1 | R104 D108 | R104-Q106 PolarHBondContact O-N 3.33Å; Q106-D108 PolarHBondContact O-N 2.84Å | ||
| 107 | W | 97.9 | Very high | 96.1 | Very high | 23 Ų | 23 | 63.2 Ų | 63.2 | 9% | 0.087 | 32% | 0.322 | C | S | . | . | trans | -65.7 | 125.6 | 177.3 | -173.1 | -84 | 0 | 0 | 0 | 110.9 | P41 L43 F105 M109 Y112 I121 H296 A299 L300 | P41-W107 HydrophobicContact CG-CB 3.87Å; P41-W107 HydrophobicContact CG-CD2 3.81Å; P41-W107 HydrophobicContact CG-CE3 4.3Å; P41-W107 HydrophobicContact CG-CG 3.58Å; L43-W107 HydrophobicContact CD1-CH2 4.25Å; L43-W107 HydrophobicContact CD1-CZ3 4.38Å; L43-W107 HydrophobicContact CD2-CH2 4.29Å; L43-W107 HydrophobicContact CD2-CZ2 3.98Å; F105-W107 HydrophobicContact CE1-CE3 4.39Å; F105-W107 HydrophobicContact CZ-CE3 4.01Å; W107-M109 VanDerWaalsContact CD1-SD 3.52Å; W107-M109 HydrophobicContact CG-SD 4.46Å; W107-M109 PolarHBondContact O-N 2.9Å; W107-Y112 PolarHBondContact NE1-O 2.8Å; W107-I121 HydrophobicContact CH2-CG2 4.43Å; W107-I121 HydrophobicContact CZ2-CD1 4.3Å; W107-I121 HydrophobicContact CZ2-CG2 4.17Å; W107-H296 AromaticContact CD2-CD2 3.84Å; W107-H296 AromaticContact CE3-CD2 3.72Å; W107-H296 AromaticContact CZ3-CD2 3.89Å; W107-A299 HydrophobicContact CE3-CB 4.23Å; W107-A299 HydrophobicContact CZ3-CB 3.79Å; W107-L300 HydrophobicContact CH2-CD2 3.75Å; W107-L300 HydrophobicContact CH2-CG 3.96Å; W107-L300 HydrophobicContact CZ3-CD2 4.49Å | ||
| 108 | D | 97.2 | Very high | 96.3 | Very high | 45 Ų | 45 | 60 Ų | 60 | 24% | 0.241 | 31% | 0.305 | C | S | . | . | trans | -77.3 | 90.7 | 176.5 | -171.2 | -24.7 | 0 | 0 | 0 | 110 | Q106 A110 K111 Y112 H296 | Q106-D108 PolarHBondContact O-N 2.84Å; D108-A110 PolarHBondContact O-N 2.83Å; D108-A110 WeakPolarHBondContact OD1-CB 3.37Å; D108-A110 PolarHBondContact OD1-N 2.82Å; D108-K111 HydrophobicContact CB-CB 4.37Å; D108-K111 PolarHBondContact O-N 2.88Å; D108-K111 PolarHBondContact OD1-N 3.07Å; D108-K111 VanDerWaalsContact OD2-CD 3.26Å; D108-K111 WeakPolarHBondContact OD2-CD 3.29Å; D108-K111 WeakPolarHBondContact OD2-CG 3.37Å; D108-Y112 HydrophobicContact CB-CD2 4.16Å; D108-Y112 HydrophobicContact CB-CE2 4.49Å; D108-Y112 PolarHBondContact O-N 2.84Å; D108-H296 PolarHBondContact N-NE2 3.14Å | ||
| 109 | M | 95.5 | Very high | 96.3 | Very high | 98 Ų | 98 | 63.6 Ų | 63.6 | 48% | 0.483 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -23.1 | -179.8 | -61.1 | -70.7 | -107.6 | 0 | 0 | 113.3 | W107 I114 | W107-M109 VanDerWaalsContact CD1-SD 3.52Å; W107-M109 HydrophobicContact CG-SD 4.46Å; W107-M109 PolarHBondContact O-N 2.9Å; M109-I114 HydrophobicContact CE-CD1 3.62Å; M109-I114 HydrophobicContact CE-CG1 3.75Å; M109-I114 HydrophobicContact CE-CG2 3.97Å; M109-I114 HydrophobicContact SD-CB 4.37Å; M109-I114 HydrophobicContact SD-CG1 4.15Å; M109-I114 HydrophobicContact SD-CG2 3.37Å; M109-I114 WeakPolarHBondContact SD-CG2 3.46Å |
| 110 | A | 95.9 | Very high | 96.5 | Very high | 91 Ų | 91 | 64.5 Ų | 64.5 | 75% | 0.752 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -42.5 | -179 | 0 | 0 | 0 | 0 | 0 | 110.7 | D108 | D108-A110 PolarHBondContact O-N 2.83Å; D108-A110 WeakPolarHBondContact OD1-CB 3.37Å; D108-A110 PolarHBondContact OD1-N 2.82Å |
| 111 | K | 95.8 | Very high | 96.6 | Very high | 70 Ų | 70 | 62.4 Ų | 62.4 | 30% | 0.304 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -35.5 | 176.8 | -68.3 | -174.6 | -174.1 | 172.2 | 0 | 113.3 | D108 P113 E289 | D108-K111 HydrophobicContact CB-CB 4.37Å; D108-K111 PolarHBondContact O-N 2.88Å; D108-K111 PolarHBondContact OD1-N 3.07Å; D108-K111 VanDerWaalsContact OD2-CD 3.26Å; D108-K111 WeakPolarHBondContact OD2-CD 3.29Å; D108-K111 WeakPolarHBondContact OD2-CG 3.37Å; K111-P113 WeakPolarHBondContact O-CD 3.22Å; K111-E289 IonicContact NZ-OE1 2.92Å; K111-E289 PolarHBondContact NZ-OE1 3.27Å; K111-E289 IonicContact NZ-OE2 3.59Å; K111-E289 PolarHBondContact NZ-OE2 2.83Å |
| 112 | Y | 97.3 | Very high | 96.7 | Very high | 13 Ų | 13 | 61.5 Ų | 61.5 | 5% | 0.051 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -126.5 | 76.7 | -173.7 | -49.4 | -57.1 | 0 | 0 | 0 | 110.9 | W107 D108 I114 I121 I124 I125 H296 | W107-Y112 PolarHBondContact NE1-O 2.8Å; D108-Y112 HydrophobicContact CB-CD2 4.16Å; D108-Y112 HydrophobicContact CB-CE2 4.49Å; D108-Y112 PolarHBondContact O-N 2.84Å; Y112-I114 PolarHBondContact O-N 3.31Å; Y112-I121 HydrophobicContact CD1-CG2 4.09Å; Y112-I121 HydrophobicContact CG-CG2 4.24Å; Y112-I124 HydrophobicContact CD1-CG2 4.25Å; Y112-I124 HydrophobicContact CE1-CG2 4.13Å; Y112-I125 HydrophobicContact CD1-CD1 4.36Å; Y112-I125 HydrophobicContact CD1-CG1 3.94Å; Y112-I125 HydrophobicContact CE1-CD1 4.06Å; Y112-I125 HydrophobicContact CE1-CG1 3.31Å; Y112-H296 HydrophobicContact CD2-CB 4.25Å; Y112-H296 AromaticContact CD2-CD2 3.22Å; Y112-H296 WeakPolarHBondContact CD2-CD2 3.14Å; Y112-H296 AromaticContact CD2-CG 3.64Å; Y112-H296 AromaticContact CD2-NE2 3.56Å; Y112-H296 HydrophobicContact CE2-CB 3.99Å; Y112-H296 AromaticContact CE2-CD2 3.57Å; Y112-H296 AromaticContact CE2-CE1 3.88Å; Y112-H296 AromaticContact CE2-CG 3.47Å; Y112-H296 VanDerWaalsContact CE2-CG 3.47Å; Y112-H296 AromaticContact CE2-ND1 3.69Å; Y112-H296 AromaticContact CE2-NE2 3.83Å |
| 113 | P | 96.8 | Very high | 96.7 | Very high | 41 Ų | 41 | 64.9 Ų | 64.9 | 27% | 0.266 | 32% | 0.323 | S | S | . | . | trans | -65.8 | 124 | -173.2 | -21.6 | 34.1 | 0 | 0 | 0 | 112.5 | K111 K115 Q116 | K111-P113 WeakPolarHBondContact O-CD 3.22Å; P113-K115 PolarHBondContact O-N 2.73Å; P113-Q116 HydrophobicContact CB-CG 4.31Å; P113-Q116 WeakPolarHBondContact O-CB 3.19Å; P113-Q116 PolarHBondContact O-N 2.94Å | ||
| 114 | I | 96.2 | Very high | 96.9 | Very high | 47 Ų | 47 | 65.8 Ų | 65.8 | 24% | 0.241 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -14.6 | -178 | 61.1 | 157.6 | 0 | 0 | 0 | 114.4 | P41 L43 M109 Y112 Q116 | P41-I114 HydrophobicContact CB-CG2 3.99Å; P41-I114 HydrophobicContact CG-CG2 3.65Å; L43-I114 HydrophobicContact CD2-CB 4.24Å; L43-I114 HydrophobicContact CD2-CG2 3.8Å; M109-I114 HydrophobicContact CE-CD1 3.62Å; M109-I114 HydrophobicContact CE-CG1 3.75Å; M109-I114 HydrophobicContact CE-CG2 3.97Å; M109-I114 HydrophobicContact SD-CB 4.37Å; M109-I114 HydrophobicContact SD-CG1 4.15Å; M109-I114 HydrophobicContact SD-CG2 3.37Å; M109-I114 WeakPolarHBondContact SD-CG2 3.46Å; Y112-I114 PolarHBondContact O-N 3.31Å; I114-Q116 VanDerWaalsContact C-N 3.28Å |
| 115 | K | 94.8 | Very high | 97 | Very high | 172 Ų | 172 | 56.5 Ų | 56.5 | 75% | 0.748 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | -15.8 | 175.2 | -67.9 | -174.6 | 178.8 | -179.2 | 0 | 113 | K44 P113 | K44-K115 WeakPolarHBondContact CD-O 3.46Å; K44-K115 WeakPolarHBondContact CE-O 3.33Å; K44-K115 PolarHBondContact NZ-O 3.32Å; P113-K115 PolarHBondContact O-N 2.73Å |
| 116 | Q | 96 | Very high | 97 | Very high | 61 Ų | 61 | 57.6 Ų | 57.6 | 29% | 0.285 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -82.3 | 164 | 176.7 | -63 | 179.8 | 7.6 | 0 | 0 | 111 | P113 I114 N120 I121 | P113-Q116 HydrophobicContact CB-CG 4.31Å; P113-Q116 WeakPolarHBondContact O-CB 3.19Å; P113-Q116 PolarHBondContact O-N 2.94Å; I114-Q116 VanDerWaalsContact C-N 3.28Å; Q116-N120 HydrophobicContact CB-CB 4.44Å; Q116-N120 VanDerWaalsContact CD-ND2 3.32Å; Q116-N120 PolarHBondContact OE1-ND2 2.71Å; Q116-I121 HydrophobicContact CB-CG1 4.14Å |
| 117 | S | 96.8 | Very high | 97.1 | Very high | 61 Ų | 61 | 57.1 Ų | 57.1 | 43% | 0.427 | 30% | 0.297 | S | S | . | . | B | Isolated β-bridge | trans | -71.6 | 152.6 | 172.9 | 62.9 | 0 | 0 | 0 | 0 | 110.7 | K119 N120 I121 | S117-K119 PolarHBondContact O-N 2.92Å; S117-N120 PolarHBondContact O-N 2.96Å; S117-N120 VanDerWaalsContact O-N 3.08Å; S117-N120 WeakPolarHBondContact OG-CB 3.36Å; S117-N120 PolarHBondContact OG-N 3.24Å; S117-I121 WeakPolarHBondContact O-CG1 3.25Å; S117-I121 PolarHBondContact O-N 3.34Å |
| 118 | L | 97.6 | Very high | 97.2 | Very high | 6 Ų | 6 | 57.6 Ų | 57.6 | 3% | 0.031 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -55.9 | -40.1 | 175.8 | -60.5 | 170 | 0 | 0 | 0 | 111.8 | L43 K44 L51 L54 N120 I121 S122 L300 F303 V304 | L43-L118 HydrophobicContact CB-CD2 3.7Å; L43-L118 HydrophobicContact CD1-CD2 3.77Å; L43-L118 HydrophobicContact CG-CD2 4.23Å; K44-L118 WeakPolarHBondContact O-CG 3.42Å; L51-L118 HydrophobicContact CD2-CD1 3.68Å; L54-L118 HydrophobicContact CD2-CB 3.34Å; L54-L118 HydrophobicContact CD2-CD1 4.16Å; L54-L118 HydrophobicContact CD2-CG 4.39Å; L118-N120 PolarHBondContact O-N 3.37Å; L118-I121 PolarHBondContact O-N 2.96Å; L118-S122 PolarHBondContact O-N 3.5Å; L118-L300 HydrophobicContact CD2-CD2 3.7Å; L118-F303 HydrophobicContact CD1-CD1 3.97Å; L118-F303 HydrophobicContact CD1-CE1 3.88Å; L118-F303 HydrophobicContact CD2-CD1 4.15Å; L118-F303 HydrophobicContact CD2-CE1 4.3Å; L118-V304 HydrophobicContact CD1-CG2 3.94Å |
| 119 | K | 96.5 | Very high | 97.2 | Very high | 92 Ų | 92 | 55.6 Ų | 55.6 | 40% | 0.4 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -57.2 | -49.7 | 174.7 | -173.9 | 172.7 | -175.5 | 168.3 | 0 | 111.5 | S117 I121 S122 E123 | S117-K119 PolarHBondContact O-N 2.92Å; K119-I121 VanDerWaalsContact C-N 3.33Å; K119-I121 PolarHBondContact O-N 3.2Å; K119-S122 PolarHBondContact O-N 3.45Å; K119-S122 VanDerWaalsContact O-N 3.16Å; K119-S122 PolarHBondContact O-OG 3.44Å; K119-E123 VanDerWaalsContact CE-OE1 3.25Å; K119-E123 WeakPolarHBondContact CE-OE1 3.15Å; K119-E123 WeakPolarHBondContact O-CG 3.37Å; K119-E123 PolarHBondContact O-N 2.86Å |
| 120 | N | 97.3 | Very high | 97.4 | Very high | 60 Ų | 60 | 53.6 Ų | 53.6 | 32% | 0.321 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -63.5 | -39 | 179.7 | -166.1 | 74.9 | 0 | 0 | 0 | 112.3 | Q116 S117 L118 E123 I124 | Q116-N120 HydrophobicContact CB-CB 4.44Å; Q116-N120 VanDerWaalsContact CD-ND2 3.32Å; Q116-N120 PolarHBondContact OE1-ND2 2.71Å; S117-N120 PolarHBondContact O-N 2.96Å; S117-N120 VanDerWaalsContact O-N 3.08Å; S117-N120 WeakPolarHBondContact OG-CB 3.36Å; S117-N120 PolarHBondContact OG-N 3.24Å; L118-N120 PolarHBondContact O-N 3.37Å; N120-E123 PolarHBondContact O-N 2.88Å; N120-I124 VanDerWaalsContact O-CG1 3.3Å; N120-I124 WeakPolarHBondContact O-CG1 3.37Å; N120-I124 PolarHBondContact O-N 3.49Å |
| 121 | I | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.5 | -44.8 | 174.6 | -62.5 | 169.8 | 0 | 0 | 0 | 110.4 | L43 W107 Y112 Q116 S117 L118 K119 E123 I124 I125 L300 | L43-I121 HydrophobicContact CD2-CD1 4.41Å; W107-I121 HydrophobicContact CH2-CG2 4.43Å; W107-I121 HydrophobicContact CZ2-CD1 4.3Å; W107-I121 HydrophobicContact CZ2-CG2 4.17Å; Y112-I121 HydrophobicContact CD1-CG2 4.09Å; Y112-I121 HydrophobicContact CG-CG2 4.24Å; Q116-I121 HydrophobicContact CB-CG1 4.14Å; S117-I121 WeakPolarHBondContact O-CG1 3.25Å; S117-I121 PolarHBondContact O-N 3.34Å; L118-I121 PolarHBondContact O-N 2.96Å; K119-I121 VanDerWaalsContact C-N 3.33Å; K119-I121 PolarHBondContact O-N 3.2Å; I121-E123 VanDerWaalsContact C-N 3.31Å; I121-E123 PolarHBondContact O-N 3.31Å; I121-I124 PolarHBondContact O-N 2.9Å; I121-I125 HydrophobicContact CG2-CD1 4.24Å; I121-I125 WeakPolarHBondContact O-CG1 3.39Å; I121-I125 PolarHBondContact O-N 3.26Å; I121-L300 HydrophobicContact CG2-CD1 4.01Å; I121-L300 HydrophobicContact CG2-CD2 4.45Å |
| 122 | S | 98.1 | Very high | 97.7 | Very high | 6 Ų | 6 | 52.4 Ų | 52.4 | 4% | 0.042 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.3 | -38.6 | 177.3 | 76.8 | 0 | 0 | 0 | 0 | 112.2 | L61 L118 K119 I125 A126 | L61-S122 WeakPolarHBondContact CD2-O 3.22Å; L118-S122 PolarHBondContact O-N 3.5Å; K119-S122 PolarHBondContact O-N 3.45Å; K119-S122 VanDerWaalsContact O-N 3.16Å; K119-S122 PolarHBondContact O-OG 3.44Å; S122-I125 PolarHBondContact O-N 3.33Å; S122-A126 WeakPolarHBondContact O-CB 3.24Å; S122-A126 PolarHBondContact O-N 2.84Å |
| 123 | E | 98.1 | Very high | 97.7 | Very high | 72 Ų | 72 | 52.2 Ų | 52.2 | 34% | 0.336 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -69 | -37.5 | 176.6 | -72.4 | 176.4 | -169.2 | 0 | 0 | 112.5 | K119 N120 I121 I125 A126 K127 | K119-E123 VanDerWaalsContact CE-OE1 3.25Å; K119-E123 WeakPolarHBondContact CE-OE1 3.15Å; K119-E123 WeakPolarHBondContact O-CG 3.37Å; K119-E123 PolarHBondContact O-N 2.86Å; N120-E123 PolarHBondContact O-N 2.88Å; I121-E123 VanDerWaalsContact C-N 3.31Å; I121-E123 PolarHBondContact O-N 3.31Å; E123-I125 VanDerWaalsContact C-N 3.34Å; E123-A126 PolarHBondContact O-N 3.28Å; E123-K127 WeakPolarHBondContact O-CB 3.24Å; E123-K127 VanDerWaalsContact O-CG 3.29Å; E123-K127 WeakPolarHBondContact O-CG 3.39Å; E123-K127 PolarHBondContact O-N 3.49Å |
| 124 | I | 98.1 | Very high | 97.8 | Very high | 61 Ų | 61 | 54.4 Ų | 54.4 | 31% | 0.313 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -59.9 | -47.3 | 173 | -71.3 | 166.2 | 0 | 0 | 0 | 109.9 | Y112 N120 I121 G128 | Y112-I124 HydrophobicContact CD1-CG2 4.25Å; Y112-I124 HydrophobicContact CE1-CG2 4.13Å; N120-I124 VanDerWaalsContact O-CG1 3.3Å; N120-I124 WeakPolarHBondContact O-CG1 3.37Å; N120-I124 PolarHBondContact O-N 3.49Å; I121-I124 PolarHBondContact O-N 2.9Å; I124-G128 PolarHBondContact O-N 2.9Å |
| 125 | I | 98.6 | Very high | 97.9 | Very high | 3 Ų | 3 | 54.5 Ų | 54.5 | 2% | 0.015 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.5 | -49.7 | 176.8 | -66.4 | 167.7 | 0 | 0 | 0 | 110.5 | L61 V65 Y112 I121 S122 E123 K127 G128 V129 A293 H296 V297 L300 | L61-I125 HydrophobicContact CD2-CB 4.48Å; L61-I125 HydrophobicContact CD2-CG2 4.34Å; V65-I125 HydrophobicContact CG2-CG2 4.25Å; Y112-I125 HydrophobicContact CD1-CD1 4.36Å; Y112-I125 HydrophobicContact CD1-CG1 3.94Å; Y112-I125 HydrophobicContact CE1-CD1 4.06Å; Y112-I125 HydrophobicContact CE1-CG1 3.31Å; I121-I125 HydrophobicContact CG2-CD1 4.24Å; I121-I125 WeakPolarHBondContact O-CG1 3.39Å; I121-I125 PolarHBondContact O-N 3.26Å; S122-I125 PolarHBondContact O-N 3.33Å; E123-I125 VanDerWaalsContact C-N 3.34Å; I125-K127 VanDerWaalsContact C-N 3.34Å; I125-K127 PolarHBondContact O-N 2.66Å; I125-G128 PolarHBondContact O-N 2.77Å; I125-V129 HydrophobicContact CG2-CG2 4.13Å; I125-V129 WeakPolarHBondContact O-CG2 3.36Å; I125-V129 PolarHBondContact O-N 3.13Å; I125-A293 HydrophobicContact CG2-CB 3.97Å; I125-H296 HydrophobicContact CD1-CB 4.07Å; I125-V297 HydrophobicContact CB-CG2 4.46Å; I125-V297 HydrophobicContact CD1-CG2 3.96Å; I125-V297 HydrophobicContact CG2-CG2 3.62Å; I125-L300 HydrophobicContact CD1-CD1 3.97Å |
| 126 | A | 98.7 | Very high | 98.1 | Very high | 30 Ų | 30 | 46.7 Ų | 46.7 | 25% | 0.248 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -57.6 | -45.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L61 S122 E123 T130 | L61-A126 HydrophobicContact CD1-CB 3.7Å; L61-A126 HydrophobicContact CD2-CB 4.47Å; S122-A126 WeakPolarHBondContact O-CB 3.24Å; S122-A126 PolarHBondContact O-N 2.84Å; E123-A126 PolarHBondContact O-N 3.28Å; A126-T130 VanDerWaalsContact O-CB 3.25Å; A126-T130 WeakPolarHBondContact O-CB 3.45Å; A126-T130 PolarHBondContact O-N 2.86Å; A126-T130 PolarHBondContact O-OG1 3.3Å |
| 127 | K | 98.6 | Very high | 98.2 | Very high | 147 Ų | 147 | 49.2 Ų | 49.2 | 64% | 0.639 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -62.9 | -48.4 | 176.6 | -74 | 173.7 | -175.9 | 172 | 0 | 111.7 | E123 I125 V129 T130 Q131 | E123-K127 WeakPolarHBondContact O-CB 3.24Å; E123-K127 VanDerWaalsContact O-CG 3.29Å; E123-K127 WeakPolarHBondContact O-CG 3.39Å; E123-K127 PolarHBondContact O-N 3.49Å; I125-K127 VanDerWaalsContact C-N 3.34Å; I125-K127 PolarHBondContact O-N 2.66Å; K127-V129 PolarHBondContact O-N 2.96Å; K127-T130 PolarHBondContact O-N 2.93Å; K127-Q131 PolarHBondContact O-N 2.86Å |
| 128 | G | 98.5 | Very high | 98.3 | Very high | 33 Ų | 33 | 49.5 Ų | 49.5 | 34% | 0.34 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -59 | -47.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | I124 I125 Q131 I132 | I124-G128 PolarHBondContact O-N 2.9Å; I125-G128 PolarHBondContact O-N 2.77Å; G128-Q131 WeakPolarHBondContact O-CB 3.01Å; G128-Q131 PolarHBondContact O-N 3.24Å; G128-I132 WeakPolarHBondContact O-CG1 3.46Å; G128-I132 PolarHBondContact O-N 2.89Å; G128-I132 VanDerWaalsContact O-N 3.14Å |
| 129 | V | 98.8 | Very high | 98.3 | Very high | 3 Ų | 3 | 54.2 Ų | 54.2 | 2% | 0.018 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -70.4 | -34.2 | -179.4 | 177.5 | 0 | 0 | 0 | 0 | 112.1 | F64 V65 V68 I125 K127 Q131 I132 D133 A293 | F64-V129 HydrophobicContact CD1-CG1 4.18Å; F64-V129 HydrophobicContact CE1-CB 4.19Å; F64-V129 HydrophobicContact CE1-CG1 3.7Å; F64-V129 HydrophobicContact CZ-CG1 4.32Å; V65-V129 HydrophobicContact CB-CG1 4.32Å; V65-V129 HydrophobicContact CG1-CG1 4.16Å; V65-V129 HydrophobicContact CG1-CG2 3.92Å; V65-V129 HydrophobicContact CG2-CB 4.27Å; V65-V129 HydrophobicContact CG2-CG1 4.03Å; V65-V129 HydrophobicContact CG2-CG2 3.96Å; V68-V129 HydrophobicContact CB-CG1 3.81Å; V68-V129 HydrophobicContact CG1-CG1 3.96Å; V68-V129 HydrophobicContact CG2-CG1 3.79Å; I125-V129 HydrophobicContact CG2-CG2 4.13Å; I125-V129 WeakPolarHBondContact O-CG2 3.36Å; I125-V129 PolarHBondContact O-N 3.13Å; K127-V129 PolarHBondContact O-N 2.96Å; V129-Q131 VanDerWaalsContact C-N 3.33Å; V129-Q131 PolarHBondContact O-N 2.78Å; V129-I132 PolarHBondContact O-N 2.68Å; V129-D133 PolarHBondContact O-N 3.32Å; V129-A293 HydrophobicContact CG2-CB 3.84Å |
| 130 | T | 98.8 | Very high | 98.4 | Very high | 57 Ų | 57 | 50.4 Ų | 50.4 | 35% | 0.35 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63.1 | -39.9 | 173.4 | -61.3 | 0 | 0 | 0 | 0 | 111.7 | A126 K127 D133 N134 | A126-T130 VanDerWaalsContact O-CB 3.25Å; A126-T130 WeakPolarHBondContact O-CB 3.45Å; A126-T130 PolarHBondContact O-N 2.86Å; A126-T130 PolarHBondContact O-OG1 3.3Å; K127-T130 PolarHBondContact O-N 2.93Å; T130-D133 PolarHBondContact O-N 3.1Å; T130-N134 PolarHBondContact O-N 3.11Å; T130-N134 PolarHBondContact O-ND2 3.03Å |
| 131 | Q | 98.7 | Very high | 98.4 | Very high | 123 Ų | 123 | 50.6 Ų | 50.6 | 58% | 0.575 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -62.1 | -44.5 | 174.2 | -175.9 | 177.9 | -9.5 | 0 | 0 | 111.2 | K127 G128 V129 D133 N134 D135 | K127-Q131 PolarHBondContact O-N 2.86Å; G128-Q131 WeakPolarHBondContact O-CB 3.01Å; G128-Q131 PolarHBondContact O-N 3.24Å; V129-Q131 VanDerWaalsContact C-N 3.33Å; V129-Q131 PolarHBondContact O-N 2.78Å; Q131-D133 PolarHBondContact O-N 3.37Å; Q131-N134 PolarHBondContact O-N 3.23Å; Q131-D135 WeakPolarHBondContact O-CB 3.48Å; Q131-D135 PolarHBondContact O-N 3.18Å |
| 132 | I | 98.8 | Very high | 98.3 | Very high | 13 Ų | 13 | 53.6 Ų | 53.6 | 7% | 0.067 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -58 | -45.8 | 175.7 | -63.8 | 172.9 | 0 | 0 | 0 | 111.4 | V68 V72 G128 V129 D135 L136 W282 N286 E289 A290 | V68-I132 HydrophobicContact CG1-CB 4.46Å; V68-I132 HydrophobicContact CG1-CG2 3.97Å; V72-I132 HydrophobicContact CG2-CG2 4.07Å; G128-I132 WeakPolarHBondContact O-CG1 3.46Å; G128-I132 PolarHBondContact O-N 2.89Å; G128-I132 VanDerWaalsContact O-N 3.14Å; V129-I132 PolarHBondContact O-N 2.68Å; I132-D135 PolarHBondContact O-N 2.78Å; I132-L136 VanDerWaalsContact O-CB 3.25Å; I132-L136 WeakPolarHBondContact O-CB 3.47Å; I132-L136 PolarHBondContact O-N 2.96Å; I132-W282 HydrophobicContact CG2-CH2 4.38Å; I132-N286 HydrophobicContact CG1-CB 4.42Å; I132-N286 HydrophobicContact CG2-CB 3.97Å; I132-E289 HydrophobicContact CD1-CB 4Å; I132-A290 HydrophobicContact CD1-CB 4.12Å |
| 133 | D | 98.7 | Very high | 98.3 | Very high | 8 Ų | 8 | 54.2 Ų | 54.2 | 4% | 0.043 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.8 | -42.1 | -179.9 | -174.1 | 72.3 | 0 | 0 | 0 | 112.2 | F64 V68 K71 V129 T130 Q131 K137 | F64-D133 HydrophobicContact CZ-CB 4.42Å; V68-D133 HydrophobicContact CG1-CB 4.34Å; V68-D133 HydrophobicContact CG2-CB 3.81Å; K71-D133 IonicContact NZ-OD1 3.57Å; K71-D133 PolarHBondContact NZ-OD1 3.25Å; V129-D133 PolarHBondContact O-N 3.32Å; T130-D133 PolarHBondContact O-N 3.1Å; Q131-D133 PolarHBondContact O-N 3.37Å; D133-K137 WeakPolarHBondContact O-CG 3.43Å; D133-K137 PolarHBondContact O-N 2.94Å; D133-K137 VanDerWaalsContact O-N 3.09Å; D133-K137 VanDerWaalsContact OD2-CE 3.23Å; D133-K137 WeakPolarHBondContact OD2-CE 3.48Å; D133-K137 IonicContact OD2-NZ 2.64Å; D133-K137 PolarHBondContact OD2-NZ 3.38Å |
| 134 | N | 98.7 | Very high | 98.2 | Very high | 87 Ų | 87 | 54.4 Ų | 54.4 | 47% | 0.465 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -67.8 | -43.8 | 178 | -71.1 | -24.5 | 0 | 0 | 0 | 112.3 | T130 Q131 L136 K137 S138 | T130-N134 PolarHBondContact O-N 3.11Å; T130-N134 PolarHBondContact O-ND2 3.03Å; Q131-N134 PolarHBondContact O-N 3.23Å; N134-L136 VanDerWaalsContact C-N 3.35Å; N134-K137 PolarHBondContact O-N 3.19Å; N134-S138 PolarHBondContact O-N 3Å; N134-S138 VanDerWaalsContact O-N 3.1Å; N134-S138 PolarHBondContact O-OG 3.48Å |
| 135 | D | 98.6 | Very high | 98.1 | Very high | 49 Ų | 49 | 56.1 Ų | 56.1 | 26% | 0.262 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -66 | -38.1 | 177 | -75.6 | -7.2 | 0 | 0 | 0 | 111.4 | Q131 I132 S138 R139 W282 | Q131-D135 WeakPolarHBondContact O-CB 3.48Å; Q131-D135 PolarHBondContact O-N 3.18Å; I132-D135 PolarHBondContact O-N 2.78Å; D135-S138 PolarHBondContact O-OG 2.9Å; D135-R139 WeakPolarHBondContact O-CB 3.19Å; D135-R139 VanDerWaalsContact O-CG 3.23Å; D135-R139 WeakPolarHBondContact O-CG 3.41Å; D135-R139 PolarHBondContact O-N 3.32Å; D135-W282 HydrophobicContact CB-CH2 3.9Å; D135-W282 HydrophobicContact CB-CZ2 3.35Å |
| 136 | L | 98.6 | Very high | 98 | Very high | 9 Ų | 9 | 57 Ų | 57 | 5% | 0.047 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.1 | -50.4 | 174.3 | 176.4 | 66.3 | 0 | 0 | 0 | 110.6 | K71 V72 Y75 I132 N134 S138 R139 A140 W282 L283 | K71-L136 HydrophobicContact CB-CD2 3.87Å; V72-L136 HydrophobicContact CG2-CD2 3.87Å; Y75-L136 HydrophobicContact CD1-CD1 3.63Å; Y75-L136 HydrophobicContact CE1-CD1 4.41Å; Y75-L136 HydrophobicContact CG-CD1 4.18Å; I132-L136 VanDerWaalsContact O-CB 3.25Å; I132-L136 WeakPolarHBondContact O-CB 3.47Å; I132-L136 PolarHBondContact O-N 2.96Å; N134-L136 VanDerWaalsContact C-N 3.35Å; L136-S138 PolarHBondContact O-N 2.82Å; L136-R139 PolarHBondContact O-N 3.4Å; L136-A140 WeakPolarHBondContact O-CB 3.36Å; L136-A140 PolarHBondContact O-N 2.94Å; L136-W282 HydrophobicContact CB-CH2 3.95Å; L136-W282 HydrophobicContact CB-CZ3 4.12Å; L136-W282 HydrophobicContact CD1-CZ3 4.04Å; L136-L283 HydrophobicContact CD1-CD2 3.58Å |
| 137 | K | 98.3 | Very high | 97.8 | Very high | 114 Ų | 114 | 58 Ų | 58 | 50% | 0.496 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -58.4 | -46 | -179.7 | -75.4 | 165.8 | 175.7 | 162.5 | 0 | 112.3 | D133 N134 S141 | D133-K137 WeakPolarHBondContact O-CG 3.43Å; D133-K137 PolarHBondContact O-N 2.94Å; D133-K137 VanDerWaalsContact O-N 3.09Å; D133-K137 VanDerWaalsContact OD2-CE 3.23Å; D133-K137 WeakPolarHBondContact OD2-CE 3.48Å; D133-K137 IonicContact OD2-NZ 2.64Å; D133-K137 PolarHBondContact OD2-NZ 3.38Å; N134-K137 PolarHBondContact O-N 3.19Å; K137-S141 VanDerWaalsContact O-CB 3.32Å; K137-S141 WeakPolarHBondContact O-CB 3.46Å; K137-S141 PolarHBondContact O-N 3.41Å |
| 138 | S | 98.1 | Very high | 97.6 | Very high | 67 Ų | 67 | 52.1 Ų | 52.1 | 47% | 0.469 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -66.1 | -46.7 | -179.5 | 61.2 | 0 | 0 | 0 | 0 | 112 | N134 D135 L136 S141 A142 | N134-S138 PolarHBondContact O-N 3Å; N134-S138 VanDerWaalsContact O-N 3.1Å; N134-S138 PolarHBondContact O-OG 3.48Å; D135-S138 PolarHBondContact O-OG 2.9Å; L136-S138 PolarHBondContact O-N 2.82Å; S138-S141 PolarHBondContact O-N 2.94Å; S138-A142 WeakPolarHBondContact O-CB 3.43Å; S138-A142 PolarHBondContact O-N 3.33Å |
| 139 | R | 97.7 | Very high | 97.4 | Very high | 104 Ų | 104 | 54.5 Ų | 54.5 | 39% | 0.392 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -65.6 | -40.3 | 177.4 | -69.7 | 175 | -175.9 | -80.4 | -3.1 | 112.2 | D135 L136 A142 Y143 L279 | D135-R139 WeakPolarHBondContact O-CB 3.19Å; D135-R139 VanDerWaalsContact O-CG 3.23Å; D135-R139 WeakPolarHBondContact O-CG 3.41Å; D135-R139 PolarHBondContact O-N 3.32Å; L136-R139 PolarHBondContact O-N 3.4Å; R139-A142 PolarHBondContact O-N 3.48Å; R139-Y143 WeakPolarHBondContact O-CB 3.47Å; R139-Y143 PolarHBondContact O-N 3.37Å; R139-L279 HydrophobicContact CB-CD1 4.08Å |
| 140 | A | 97.7 | Very high | 97.1 | Very high | 13 Ų | 13 | 54.6 Ų | 54.6 | 11% | 0.107 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.6 | -46.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y75 L136 A142 Y143 N144 | Y75-A140 HydrophobicContact CD1-CB 4.26Å; Y75-A140 HydrophobicContact CD2-CB 4.31Å; Y75-A140 HydrophobicContact CE1-CB 3.73Å; Y75-A140 HydrophobicContact CE2-CB 3.81Å; Y75-A140 WeakPolarHBondContact OH-CA 3.42Å; L136-A140 WeakPolarHBondContact O-CB 3.36Å; L136-A140 PolarHBondContact O-N 2.94Å; A140-A142 PolarHBondContact O-N 3.26Å; A140-Y143 PolarHBondContact O-N 2.86Å; A140-N144 WeakPolarHBondContact O-CB 3.43Å; A140-N144 PolarHBondContact O-N 3.38Å; A140-N144 PolarHBondContact O-ND2 3.08Å |
| 141 | S | 97.8 | Very high | 96.8 | Very high | 63 Ų | 63 | 56.6 Ų | 56.6 | 44% | 0.441 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -57.2 | -49.5 | 174.5 | -178.9 | 0 | 0 | 0 | 0 | 111.6 | K137 S138 Y143 N144 N145 | K137-S141 VanDerWaalsContact O-CB 3.32Å; K137-S141 WeakPolarHBondContact O-CB 3.46Å; K137-S141 PolarHBondContact O-N 3.41Å; S138-S141 PolarHBondContact O-N 2.94Å; S141-Y143 PolarHBondContact O-N 3.16Å; S141-N144 PolarHBondContact O-N 3.04Å; S141-N145 WeakPolarHBondContact O-CB 3.01Å; S141-N145 PolarHBondContact O-N 2.98Å; S141-N145 PolarHBondContact O-ND2 2.99Å; S141-N145 VanDerWaalsContact O-ND2 3.13Å |
| 142 | A | 96.5 | Very high | 96.4 | Very high | 64 Ų | 64 | 54.7 Ų | 54.7 | 53% | 0.529 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -60 | -46.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | S138 R139 A140 L146 | S138-A142 WeakPolarHBondContact O-CB 3.43Å; S138-A142 PolarHBondContact O-N 3.33Å; R139-A142 PolarHBondContact O-N 3.48Å; A140-A142 PolarHBondContact O-N 3.26Å; A142-L146 PolarHBondContact O-N 3.33Å |
| 143 | Y | 97.6 | Very high | 95.9 | Very high | 19 Ų | 19 | 55.4 Ų | 55.4 | 8% | 0.075 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -70.9 | -39.2 | -179.4 | -171.2 | -100.3 | 0 | 0 | 0 | 112.6 | V79 R139 A140 S141 L146 K147 K272 Q275 F276 L279 | V79-Y143 HydrophobicContact CG2-CE1 4.48Å; R139-Y143 WeakPolarHBondContact O-CB 3.47Å; R139-Y143 PolarHBondContact O-N 3.37Å; A140-Y143 PolarHBondContact O-N 2.86Å; S141-Y143 PolarHBondContact O-N 3.16Å; Y143-L146 WeakPolarHBondContact O-CB 3.3Å; Y143-L146 PolarHBondContact O-N 3.06Å; Y143-K147 PolarHBondContact O-N 3.26Å; Y143-K272 HydrophobicContact CE2-CG 4.31Å; Y143-Q275 HydrophobicContact CD2-CB 4.07Å; Y143-Q275 HydrophobicContact CE2-CB 4.28Å; Y143-F276 HydrophobicContact CE2-CB 4.4Å; Y143-L279 HydrophobicContact CD1-CD2 3.7Å; Y143-L279 HydrophobicContact CD2-CD2 3.78Å; Y143-L279 HydrophobicContact CE1-CD2 4.23Å; Y143-L279 HydrophobicContact CE2-CD2 4.3Å; Y143-L279 HydrophobicContact CG-CD2 3.46Å; Y143-L279 VanDerWaalsContact CG-CD2 3.46Å |
| 144 | N | 96.7 | Very high | 95.4 | Very high | 76 Ų | 76 | 59.7 Ų | 59.7 | 41% | 0.406 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -68.8 | -36.8 | 177.6 | -72 | -24.1 | 0 | 0 | 0 | 112.1 | A140 S141 L146 K147 G148 | A140-N144 WeakPolarHBondContact O-CB 3.43Å; A140-N144 PolarHBondContact O-N 3.38Å; A140-N144 PolarHBondContact O-ND2 3.08Å; S141-N144 PolarHBondContact O-N 3.04Å; N144-L146 VanDerWaalsContact C-N 3.33Å; N144-K147 PolarHBondContact O-N 2.97Å; N144-G148 PolarHBondContact O-N 3.39Å |
| 145 | N | 96.4 | Very high | 94.9 | Very high | 97 Ų | 97 | 62.7 Ų | 62.7 | 52% | 0.519 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61.9 | -43 | 172.8 | -71.8 | -22.9 | 0 | 0 | 0 | 111.2 | S141 G148 N149 | S141-N145 WeakPolarHBondContact O-CB 3.01Å; S141-N145 PolarHBondContact O-N 2.98Å; S141-N145 PolarHBondContact O-ND2 2.99Å; S141-N145 VanDerWaalsContact O-ND2 3.13Å; N145-G148 PolarHBondContact O-N 3.47Å; N145-N149 WeakPolarHBondContact O-CB 3.18Å; N145-N149 VanDerWaalsContact O-CG 3.23Å; N145-N149 PolarHBondContact O-N 2.77Å |
| 146 | L | 95.5 | Very high | 94.2 | Very high | 21 Ų | 21 | 66.3 Ų | 66.3 | 11% | 0.11 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -61.9 | -45.9 | 175.2 | 179.9 | 59.1 | 0 | 0 | 0 | 112 | A142 Y143 N144 L150 L268 D271 K272 Q275 | A142-L146 PolarHBondContact O-N 3.33Å; Y143-L146 WeakPolarHBondContact O-CB 3.3Å; Y143-L146 PolarHBondContact O-N 3.06Å; N144-L146 VanDerWaalsContact C-N 3.33Å; L146-L150 WeakPolarHBondContact O-CB 2.97Å; L146-L150 PolarHBondContact O-N 3.46Å; L146-L150 VanDerWaalsContact O-N 3.11Å; L146-L268 HydrophobicContact CD1-CB 4.11Å; L146-L268 HydrophobicContact CD1-CD2 3.52Å; L146-L268 HydrophobicContact CD1-CG 4.42Å; L146-D271 HydrophobicContact CD1-CB 4.16Å; L146-D271 HydrophobicContact CD2-CB 4.12Å; L146-K272 HydrophobicContact CD2-CB 4.1Å; L146-K272 HydrophobicContact CG-CB 4.17Å; L146-Q275 HydrophobicContact CD2-CG 4.29Å |
| 147 | K | 94.7 | Very high | 93.6 | Very high | 52 Ų | 52 | 67.2 Ų | 67.2 | 23% | 0.226 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61 | -45.1 | 175 | -176.6 | 178.4 | 174.3 | 177.4 | 0 | 111.5 | E81 Y143 N144 L150 Q151 | E81-K147 VanDerWaalsContact OE1-CE 3.32Å; E81-K147 WeakPolarHBondContact OE1-CE 3.28Å; E81-K147 IonicContact OE1-NZ 2.73Å; E81-K147 PolarHBondContact OE1-NZ 3.2Å; E81-K147 IonicContact OE2-NZ 3.51Å; E81-K147 PolarHBondContact OE2-NZ 2.62Å; Y143-K147 PolarHBondContact O-N 3.26Å; N144-K147 PolarHBondContact O-N 2.97Å; K147-L150 PolarHBondContact O-N 3.03Å; K147-Q151 WeakPolarHBondContact O-CB 3.24Å; K147-Q151 PolarHBondContact O-N 3.32Å |
| 148 | G | 94.6 | Very high | 93 | Very high | 23 Ų | 23 | 64.4 Ų | 64.4 | 24% | 0.237 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -65.7 | -43 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | N144 N145 Q151 N152 | N144-G148 PolarHBondContact O-N 3.39Å; N145-G148 PolarHBondContact O-N 3.47Å; G148-Q151 PolarHBondContact O-N 3.06Å; G148-N152 WeakPolarHBondContact O-CB 3.38Å; G148-N152 PolarHBondContact O-N 3.16Å; G148-N152 PolarHBondContact O-ND2 3.5Å |
| 149 | N | 94 | Very high | 92.6 | Very high | 83 Ų | 83 | 63.8 Ų | 63.8 | 44% | 0.444 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.3 | -45.2 | 175.8 | -73 | -12.6 | 0 | 0 | 0 | 111.6 | N145 N152 L153 L268 | N145-N149 WeakPolarHBondContact O-CB 3.18Å; N145-N149 VanDerWaalsContact O-CG 3.23Å; N145-N149 PolarHBondContact O-N 2.77Å; N149-N152 PolarHBondContact O-N 3.29Å; N149-L153 PolarHBondContact O-N 3.02Å; N149-L153 VanDerWaalsContact O-N 3.15Å; N149-L268 HydrophobicContact CB-CD1 4.01Å |
| 150 | L | 92.9 | Very high | 92.4 | Very high | 4 Ų | 4 | 60.9 Ų | 60.9 | 2% | 0.021 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -61.7 | -46.2 | 176.3 | -175.6 | 64.5 | 0 | 0 | 0 | 111.2 | L146 K147 N152 L153 E154 M265 L268 K272 | L146-L150 WeakPolarHBondContact O-CB 2.97Å; L146-L150 PolarHBondContact O-N 3.46Å; L146-L150 VanDerWaalsContact O-N 3.11Å; K147-L150 PolarHBondContact O-N 3.03Å; L150-N152 VanDerWaalsContact C-N 3.27Å; L150-N152 PolarHBondContact O-N 3.41Å; L150-L153 PolarHBondContact O-N 3.03Å; L150-L153 VanDerWaalsContact O-N 3.17Å; L150-E154 HydrophobicContact CG-CG 4.45Å; L150-E154 WeakPolarHBondContact O-CG 3.34Å; L150-E154 PolarHBondContact O-N 3.3Å; L150-M265 HydrophobicContact CD1-CG 4.19Å; L150-L268 HydrophobicContact CD1-CB 4.18Å; L150-K272 HydrophobicContact CD2-CD 3.68Å |
| 151 | Q | 92.1 | Very high | 92.3 | Very high | 100 Ų | 100 | 60.4 Ų | 60.4 | 47% | 0.467 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -62.2 | -34.5 | 178.3 | -168.9 | -176.9 | 19 | 0 | 0 | 112.5 | K147 G148 R155 | K147-Q151 WeakPolarHBondContact O-CB 3.24Å; K147-Q151 PolarHBondContact O-N 3.32Å; G148-Q151 PolarHBondContact O-N 3.06Å; Q151-R155 WeakPolarHBondContact O-CB 3.5Å; Q151-R155 PolarHBondContact O-N 3.43Å |
| 152 | N | 90.4 | Very high | 92.1 | Very high | 82 Ų | 82 | 60.5 Ų | 60.5 | 44% | 0.439 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -67 | -40.6 | 176 | -74 | -23.2 | 0 | 0 | 0 | 111.8 | G148 N149 L150 R155 K156 | G148-N152 WeakPolarHBondContact O-CB 3.38Å; G148-N152 PolarHBondContact O-N 3.16Å; G148-N152 PolarHBondContact O-ND2 3.5Å; N149-N152 PolarHBondContact O-N 3.29Å; L150-N152 VanDerWaalsContact C-N 3.27Å; L150-N152 PolarHBondContact O-N 3.41Å; N152-R155 PolarHBondContact O-N 2.97Å; N152-K156 PolarHBondContact O-N 3.43Å |
| 153 | L | 87.5 | Confident | 91.9 | Very high | 28 Ų | 28 | 62 Ų | 62 | 15% | 0.147 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -66.7 | -45.5 | 173.6 | -67.7 | 177.2 | 0 | 0 | 0 | 111.5 | N149 L150 R155 K156 N157 E264 M265 L268 | N149-L153 PolarHBondContact O-N 3.02Å; N149-L153 VanDerWaalsContact O-N 3.15Å; L150-L153 PolarHBondContact O-N 3.03Å; L150-L153 VanDerWaalsContact O-N 3.17Å; L153-R155 VanDerWaalsContact C-N 3.26Å; L153-R155 PolarHBondContact O-N 2.95Å; L153-K156 WeakPolarHBondContact O-CB 3.26Å; L153-K156 PolarHBondContact O-N 3.11Å; L153-K156 VanDerWaalsContact O-N 3.12Å; L153-N157 PolarHBondContact O-N 3.28Å; L153-E264 HydrophobicContact CD1-CG 4.09Å; L153-M265 HydrophobicContact CD1-CB 4.18Å; L153-L268 HydrophobicContact CD1-CD1 3.65Å |
| 154 | E | 89 | Confident | 91.6 | Very high | 98 Ų | 98 | 64.6 Ų | 64.6 | 46% | 0.458 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -58.5 | -39.5 | 176.3 | -72.4 | 171.4 | 168.1 | 0 | 0 | 111.6 | L150 K156 N157 A158 | L150-E154 HydrophobicContact CG-CG 4.45Å; L150-E154 WeakPolarHBondContact O-CG 3.34Å; L150-E154 PolarHBondContact O-N 3.3Å; E154-K156 PolarHBondContact O-N 3.39Å; E154-N157 CarbonylContact O-C 3.24Å; E154-N157 PolarHBondContact O-N 3.47Å; E154-N157 VanDerWaalsContact O-N 3.09Å; E154-A158 WeakPolarHBondContact O-CB 3.48Å; E154-A158 PolarHBondContact O-N 3.36Å |
| 155 | R | 87.8 | Confident | 91.4 | Very high | 151 Ų | 151 | 62.7 Ų | 62.7 | 57% | 0.57 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -65.3 | -37.3 | 177.2 | -166.8 | -176.7 | -52.1 | 162.9 | 9.5 | 112.6 | Q151 N152 L153 N157 A158 | Q151-R155 WeakPolarHBondContact O-CB 3.5Å; Q151-R155 PolarHBondContact O-N 3.43Å; N152-R155 PolarHBondContact O-N 2.97Å; L153-R155 VanDerWaalsContact C-N 3.26Å; L153-R155 PolarHBondContact O-N 2.95Å; R155-N157 PolarHBondContact O-N 3.17Å; R155-A158 PolarHBondContact O-N 2.99Å; R155-A158 VanDerWaalsContact O-N 3.16Å |
| 156 | K | 85.3 | Confident | 91.2 | Very high | 124 Ų | 124 | 58.1 Ų | 58.1 | 54% | 0.539 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60.5 | -31.7 | 173.3 | -70.8 | -178.4 | 178.5 | -175.1 | 0 | 111.3 | N152 L153 E154 S165 | N152-K156 PolarHBondContact O-N 3.43Å; L153-K156 WeakPolarHBondContact O-CB 3.26Å; L153-K156 PolarHBondContact O-N 3.11Å; L153-K156 VanDerWaalsContact O-N 3.12Å; E154-K156 PolarHBondContact O-N 3.39Å; K156-S165 WeakPolarHBondContact O-CB 3.39Å; K156-S165 PolarHBondContact O-N 3.48Å |
| 157 | N | 84.5 | Confident | 91 | Very high | 29 Ų | 29 | 57.9 Ų | 57.9 | 16% | 0.155 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -91.8 | -3.6 | 179.7 | -65.4 | -12.7 | 0 | 0 | 0 | 113.3 | L153 E154 R155 R164 S165 E168 | L153-N157 PolarHBondContact O-N 3.28Å; E154-N157 CarbonylContact O-C 3.24Å; E154-N157 PolarHBondContact O-N 3.47Å; E154-N157 VanDerWaalsContact O-N 3.09Å; R155-N157 PolarHBondContact O-N 3.17Å; N157-R164 PolarHBondContact O-NE 3.46Å; N157-R164 PolarHBondContact O-NH2 2.79Å; N157-S165 WeakPolarHBondContact OD1-CB 3.44Å; N157-E168 PolarHBondContact ND2-OE1 3.41Å; N157-E168 PolarHBondContact ND2-OE2 2.94Å |
| 158 | A | 86.6 | Confident | 90.7 | Very high | 55 Ų | 55 | 60.1 Ų | 60.1 | 46% | 0.455 | 33% | 0.326 | S | S | . | . | trans | -96.3 | 157.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | E154 R155 R164 | E154-A158 WeakPolarHBondContact O-CB 3.48Å; E154-A158 PolarHBondContact O-N 3.36Å; R155-A158 PolarHBondContact O-N 2.99Å; R155-A158 VanDerWaalsContact O-N 3.16Å; A158-R164 WeakPolarHBondContact O-CB 3.35Å | ||
| 159 | G | 89.3 | Confident | 90.5 | Very high | 53 Ų | 53 | 60.5 Ų | 60.5 | 55% | 0.546 | 32% | 0.323 | S | S | . | . | S | Bend | trans | 103.4 | -169 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | R164 | G159-R164 WeakPolarHBondContact O-CD 3.45Š|
| 160 | S | 94.2 | Very high | 90.5 | Very high | 44 Ų | 44 | 57 Ų | 57 | 31% | 0.308 | 30% | 0.304 | S | S | . | . | trans | -74.2 | 165.5 | 178.2 | 68.3 | 0 | 0 | 0 | 0 | 111.9 | L162 T163 R164 | S160-L162 PolarHBondContact O-N 2.98Å; S160-L162 WeakPolarHBondContact OG-CB 3.47Å; S160-L162 PolarHBondContact OG-N 2.96Å; S160-T163 PolarHBondContact N-OG1 3.18Å; S160-T163 PolarHBondContact O-N 3.37Å; S160-T163 PolarHBondContact O-OG1 3.03Å; S160-T163 PolarHBondContact OG-OG1 3.15Å; S160-R164 WeakPolarHBondContact O-CB 3.33Å; S160-R164 VanDerWaalsContact O-CG 3.28Å; S160-R164 WeakPolarHBondContact O-CG 3.41Å; S160-R164 PolarHBondContact O-N 3.43Å | ||
| 161 | L | 95.4 | Very high | 90.5 | Very high | 3 Ų | 3 | 63.7 Ų | 63.7 | 2% | 0.016 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -23.1 | 173.1 | -68.5 | 169.8 | 0 | 0 | 0 | 113.2 | L166 I169 V188 D219 L224 R249 | L161-L166 HydrophobicContact CD2-CD2 4.28Å; L161-I169 HydrophobicContact CD2-CD1 3.57Å; L161-V188 HydrophobicContact CB-CG1 4.22Å; L161-V188 HydrophobicContact CB-CG2 4Å; L161-D219 WeakPolarHBondContact CB-OD2 3.25Å; L161-D219 HydrophobicContact CD1-CB 4.1Å; L161-D219 HydrophobicContact CG-CB 4.06Å; L161-D219 WeakPolarHBondContact CG-OD2 3.47Å; L161-D219 PolarHBondContact N-OD2 3.25Å; L161-L224 HydrophobicContact CD1-CB 3.97Å; L161-L224 HydrophobicContact CD2-CB 4.18Å; L161-L224 HydrophobicContact CD2-CD2 4.44Å; L161-R249 PolarHBondContact O-NE 2.96Å; L161-R249 VanDerWaalsContact O-NE 3.15Å |
| 162 | L | 93 | Very high | 90.6 | Very high | 64 Ų | 64 | 63.4 Ų | 63.4 | 34% | 0.335 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -28.9 | 176.1 | -64.2 | 172.6 | 0 | 0 | 0 | 113.5 | S160 V188 I247 R249 | S160-L162 PolarHBondContact O-N 2.98Å; S160-L162 WeakPolarHBondContact OG-CB 3.47Å; S160-L162 PolarHBondContact OG-N 2.96Å; L162-V188 HydrophobicContact CD2-CB 3.68Å; L162-V188 HydrophobicContact CD2-CG1 3.5Å; L162-V188 VanDerWaalsContact CD2-CG1 3.5Å; L162-V188 HydrophobicContact CD2-CG2 4.08Å; L162-V188 HydrophobicContact CG-CG1 3.98Å; L162-I247 HydrophobicContact CD1-CD1 4.39Å; L162-I247 HydrophobicContact CD2-CB 3.88Å; L162-I247 HydrophobicContact CD2-CD1 3.48Å; L162-I247 VanDerWaalsContact CD2-CD1 3.48Å; L162-I247 HydrophobicContact CD2-CG1 4.23Å; L162-I247 HydrophobicContact CD2-CG2 3.9Å; L162-R249 PolarHBondContact O-NE 3.37Å; L162-R249 PolarHBondContact O-NH1 3.46Å |
| 163 | T | 91.6 | Very high | 90.8 | Very high | 97 Ų | 97 | 66.8 Ų | 66.8 | 60% | 0.595 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.3 | -31.9 | -169.7 | 55.7 | 0 | 0 | 0 | 0 | 113.2 | S160 | S160-T163 PolarHBondContact N-OG1 3.18Å; S160-T163 PolarHBondContact O-N 3.37Å; S160-T163 PolarHBondContact O-OG1 3.03Å; S160-T163 PolarHBondContact OG-OG1 3.15Å |
| 164 | R | 92.8 | Very high | 91.1 | Very high | 73 Ų | 73 | 67 Ų | 67 | 28% | 0.275 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -74.8 | 158.2 | -176.9 | 76.2 | -175.2 | -65.6 | -178.9 | -1.5 | 112.3 | N157 A158 G159 S160 I169 R249 | N157-R164 PolarHBondContact O-NE 3.46Å; N157-R164 PolarHBondContact O-NH2 2.79Å; A158-R164 WeakPolarHBondContact O-CB 3.35Å; G159-R164 WeakPolarHBondContact O-CD 3.45Å; S160-R164 WeakPolarHBondContact O-CB 3.33Å; S160-R164 VanDerWaalsContact O-CG 3.28Å; S160-R164 WeakPolarHBondContact O-CG 3.41Å; S160-R164 PolarHBondContact O-N 3.43Å; R164-I169 HydrophobicContact CG-CD1 4.28Å; R164-R249 PolarHBondContact O-NH2 3.41Å |
| 165 | S | 91.4 | Very high | 91.5 | Very high | 35 Ų | 35 | 63.3 Ų | 63.3 | 25% | 0.245 | 33% | 0.332 | C | S | . | . | trans | -61.2 | 136.7 | 166 | -176.5 | 0 | 0 | 0 | 0 | 110.2 | K156 N157 A167 | K156-S165 WeakPolarHBondContact O-CB 3.39Å; K156-S165 PolarHBondContact O-N 3.48Å; N157-S165 WeakPolarHBondContact OD1-CB 3.44Å; S165-A167 WeakPolarHBondContact OG-CB 3.49Å; S165-A167 PolarHBondContact OG-N 3.31Å | ||
| 166 | L | 93.5 | Very high | 91.8 | Very high | 1 Ų | 1 | 58.9 Ų | 58.9 | 1% | 0.005 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -93.8 | -5.8 | 178.4 | -54.9 | 176.1 | 0 | 0 | 0 | 112.1 | L161 E168 I169 V170 L186 L224 R249 F251 | L161-L166 HydrophobicContact CD2-CD2 4.28Å; L166-E168 VanDerWaalsContact C-N 3.31Å; L166-E168 PolarHBondContact O-N 2.9Å; L166-I169 HydrophobicContact CD2-CD1 4.02Å; L166-I169 WeakPolarHBondContact O-CB 3.48Å; L166-I169 PolarHBondContact O-N 2.91Å; L166-V170 HydrophobicContact CB-CG1 4.42Å; L166-V170 WeakPolarHBondContact O-CG2 3.22Å; L166-V170 PolarHBondContact O-N 3.44Å; L166-V170 VanDerWaalsContact O-N 3.1Å; L166-L186 HydrophobicContact CB-CD1 4.04Å; L166-L186 HydrophobicContact CD1-CB 4.15Å; L166-L186 HydrophobicContact CD1-CD1 3.44Å; L166-L186 VanDerWaalsContact CD1-CD1 3.44Å; L166-L186 HydrophobicContact CD1-CG 4.49Å; L166-L186 HydrophobicContact CG-CD1 4.38Å; L166-L224 HydrophobicContact CD1-CD1 4.01Å; L166-L224 HydrophobicContact CD2-CD1 4.17Å; L166-L224 HydrophobicContact CD2-CD2 3.99Å; L166-R249 HydrophobicContact CD1-CB 3.69Å; L166-R249 HydrophobicContact CD1-CG 3.81Å; L166-F251 HydrophobicContact CB-CD2 3.85Å; L166-F251 HydrophobicContact CB-CE2 3.97Å; L166-F251 HydrophobicContact CB-CG 4.31Å; L166-F251 HydrophobicContact CD1-CB 4.23Å; L166-F251 HydrophobicContact CD1-CG 4.4Å |
| 167 | A | 90.5 | Very high | 92.1 | Very high | 16 Ų | 16 | 55.7 Ų | 55.7 | 13% | 0.132 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | -44.2 | -178 | 0 | 0 | 0 | 0 | 0 | 112.7 | S165 I169 F251 M258 | S165-A167 WeakPolarHBondContact OG-CB 3.49Å; S165-A167 PolarHBondContact OG-N 3.31Å; A167-I169 VanDerWaalsContact C-N 3.26Å; A167-I169 PolarHBondContact O-N 2.87Å; A167-F251 HydrophobicContact CB-CE2 4.38Å; A167-M258 HydrophobicContact CB-CE 4.16Å; A167-M258 HydrophobicContact CB-CG 3.76Å; A167-M258 HydrophobicContact CB-SD 4.26Å; A167-M258 WeakPolarHBondContact O-CE 3.34Å |
| 168 | E | 87.6 | Confident | 92.4 | Very high | 100 Ų | 100 | 62.5 Ų | 62.5 | 47% | 0.467 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -7 | -179.3 | -62.9 | -173.1 | 158.4 | 0 | 0 | 114.1 | N157 L166 M265 | N157-E168 PolarHBondContact ND2-OE1 3.41Å; N157-E168 PolarHBondContact ND2-OE2 2.94Å; L166-E168 VanDerWaalsContact C-N 3.31Å; L166-E168 PolarHBondContact O-N 2.9Å; E168-M265 WeakPolarHBondContact OE1-CE 3.32Å |
| 169 | I | 91.2 | Very high | 92.7 | Very high | 31 Ų | 31 | 61.1 Ų | 61.1 | 16% | 0.159 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | -41.3 | -174.3 | -57.3 | -179.3 | 0 | 0 | 0 | 110.7 | L161 R164 L166 A167 L224 | L161-I169 HydrophobicContact CD2-CD1 3.57Å; R164-I169 HydrophobicContact CG-CD1 4.28Å; L166-I169 HydrophobicContact CD2-CD1 4.02Å; L166-I169 WeakPolarHBondContact O-CB 3.48Å; L166-I169 PolarHBondContact O-N 2.91Å; A167-I169 VanDerWaalsContact C-N 3.26Å; A167-I169 PolarHBondContact O-N 2.87Å; I169-L224 HydrophobicContact CG2-CD2 3.85Å |
| 170 | V | 94.4 | Very high | 92.9 | Very high | 9 Ų | 9 | 66 Ų | 66 | 6% | 0.055 | 34% | 0.343 | C | S | . | . | trans | -95.1 | 155.2 | -173 | -54.8 | 0 | 0 | 0 | 0 | 112.2 | L166 D174 F175 L186 L216 L224 F251 Y253 | L166-V170 HydrophobicContact CB-CG1 4.42Å; L166-V170 WeakPolarHBondContact O-CG2 3.22Å; L166-V170 PolarHBondContact O-N 3.44Å; L166-V170 VanDerWaalsContact O-N 3.1Å; V170-D174 WeakPolarHBondContact CA-OD2 3.37Å; V170-F175 HydrophobicContact CB-CE2 3.7Å; V170-F175 HydrophobicContact CB-CZ 3.93Å; V170-F175 HydrophobicContact CG1-CE2 4.48Å; V170-F175 HydrophobicContact CG1-CZ 4.26Å; V170-F175 HydrophobicContact CG2-CE2 3.55Å; V170-F175 HydrophobicContact CG2-CZ 3.68Å; V170-L186 HydrophobicContact CG1-CD1 3.74Å; V170-L186 HydrophobicContact CG1-CD2 4.2Å; V170-L216 HydrophobicContact CB-CD1 4.49Å; V170-L216 HydrophobicContact CG1-CD1 3.82Å; V170-L224 HydrophobicContact CG1-CD2 3.97Å; V170-F251 HydrophobicContact CG2-CE1 3.75Å; V170-F251 HydrophobicContact CG2-CZ 3.74Å; V170-Y253 HydrophobicContact CG2-CD2 4.17Å; V170-Y253 HydrophobicContact CG2-CE2 4.5Å | ||
| 171 | K | 93.5 | Very high | 92.9 | Very high | 144 Ų | 144 | 71.3 Ų | 71.3 | 63% | 0.626 | 36% | 0.357 | S | S | * | . | trans | -117.1 | 161.8 | 179.6 | -60.3 | 173.7 | -172.7 | 170.2 | 0 | 110 | D173 D174 F175 | K171-D173 PolarHBondContact O-N 3.29Å; K171-D174 PolarHBondContact N-OD2 3.35Å; K171-D174 VanDerWaalsContact O-CB 3.32Å; K171-D174 WeakPolarHBondContact O-CB 3.46Å; K171-D174 PolarHBondContact O-N 2.77Å; K171-F175 VanDerWaalsContact O-CD2 3.27Å; K171-F175 WeakPolarHBondContact O-CD2 3.28Å; K171-F175 WeakPolarHBondContact O-CE2 3.47Å | ||
| 172 | K | 93.6 | Very high | 93 | Very high | 94 Ų | 94 | 73.1 Ų | 73.1 | 41% | 0.409 | 37% | 0.366 | S | S | . | . | G | 310 helix | trans | -51.1 | -44.3 | 175.9 | -166.4 | 173 | -176.3 | 154.5 | 0 | 112.9 | D174 F175 L177 Y253 E255 | K172-D174 PolarHBondContact O-N 2.83Å; K172-F175 PolarHBondContact O-N 2.93Å; K172-F175 VanDerWaalsContact O-N 3.16Å; K172-L177 HydrophobicContact CD-CD1 4.36Å; K172-L177 HydrophobicContact CG-CD1 3.65Å; K172-Y253 VanDerWaalsContact CA-CZ 3.48Å; K172-Y253 WeakPolarHBondContact CA-OH 3.47Å; K172-Y253 HydrophobicContact CB-CE1 4.16Å; K172-Y253 WeakPolarHBondContact CB-OH 3.48Å; K172-Y253 HydrophobicContact CG-CE1 3.98Å; K172-Y253 PolarHBondContact N-OH 2.67Å; K172-E255 IonicContact NZ-OE2 2.75Å; K172-E255 PolarHBondContact NZ-OE2 3.47Å |
| 173 | D | 93.7 | Very high | 93.2 | Very high | 153 Ų | 153 | 71.3 Ų | 71.3 | 82% | 0.818 | 36% | 0.358 | S | S | * | . | G | 310 helix | trans | -68.2 | -12.9 | -176.9 | -60.6 | -21.8 | 0 | 0 | 0 | 113.5 | K171 F175 | K171-D173 PolarHBondContact O-N 3.29Å; D173-F175 PolarHBondContact O-N 2.91Å |
| 174 | D | 95.3 | Very high | 93.4 | Very high | 33 Ų | 33 | 67.1 Ų | 67.1 | 18% | 0.176 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -75.6 | -10.8 | 176 | -58.7 | -32.6 | 0 | 0 | 0 | 112 | V170 K171 K172 T184 L216 N226 | V170-D174 WeakPolarHBondContact CA-OD2 3.37Å; K171-D174 PolarHBondContact N-OD2 3.35Å; K171-D174 VanDerWaalsContact O-CB 3.32Å; K171-D174 WeakPolarHBondContact O-CB 3.46Å; K171-D174 PolarHBondContact O-N 2.77Å; K172-D174 PolarHBondContact O-N 2.83Å; D174-T184 WeakPolarHBondContact O-CG2 3.31Å; D174-L216 HydrophobicContact CB-CD1 3.89Å; D174-L216 HydrophobicContact CB-CD2 4.04Å; D174-L216 WeakPolarHBondContact OD1-CD2 3.35Å; D174-N226 PolarHBondContact O-ND2 3.09Å |
| 175 | F | 96 | Very high | 93.7 | Very high | 21 Ų | 21 | 64 Ų | 64 | 9% | 0.092 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -123.3 | 144.1 | -173.2 | -57.6 | -95.9 | 0 | 0 | 0 | 113.2 | V170 K171 K172 D173 L177 T184 L186 F251 Y253 | V170-F175 HydrophobicContact CB-CE2 3.7Å; V170-F175 HydrophobicContact CB-CZ 3.93Å; V170-F175 HydrophobicContact CG1-CE2 4.48Å; V170-F175 HydrophobicContact CG1-CZ 4.26Å; V170-F175 HydrophobicContact CG2-CE2 3.55Å; V170-F175 HydrophobicContact CG2-CZ 3.68Å; K171-F175 VanDerWaalsContact O-CD2 3.27Å; K171-F175 WeakPolarHBondContact O-CD2 3.28Å; K171-F175 WeakPolarHBondContact O-CE2 3.47Å; K172-F175 PolarHBondContact O-N 2.93Å; K172-F175 VanDerWaalsContact O-N 3.16Å; D173-F175 PolarHBondContact O-N 2.91Å; F175-L177 HydrophobicContact CB-CD2 3.69Å; F175-L177 HydrophobicContact CB-CG 4.14Å; F175-L177 PolarHBondContact O-N 3.48Å; F175-T184 HydrophobicContact CD1-CG2 4.12Å; F175-L186 HydrophobicContact CE1-CD1 4.29Å; F175-L186 HydrophobicContact CE1-CD2 4Å; F175-L186 HydrophobicContact CE1-CG 4.01Å; F175-L186 HydrophobicContact CZ-CD1 3.95Å; F175-L186 HydrophobicContact CZ-CD2 3.88Å; F175-L186 HydrophobicContact CZ-CG 4.07Å; F175-F251 HydrophobicContact CE1-CD1 4.02Å; F175-F251 HydrophobicContact CE1-CE1 4.04Å; F175-F251 HydrophobicContact CE2-CE1 4.37Å; F175-F251 AromaticContact CZ-CD1 3.91Å; F175-F251 HydrophobicContact CZ-CD1 3.91Å; F175-F251 AromaticContact CZ-CE1 3.56Å; F175-F251 HydrophobicContact CZ-CE1 3.56Å; F175-Y253 AromaticContact CD2-CD2 3.54Å; F175-Y253 HydrophobicContact CD2-CD2 3.54Å; F175-Y253 HydrophobicContact CD2-CE2 4.3Å; F175-Y253 AromaticContact CD2-CG 3.72Å; F175-Y253 HydrophobicContact CD2-CG 3.72Å; F175-Y253 AromaticContact CE2-CD2 3.37Å; F175-Y253 HydrophobicContact CE2-CD2 3.37Å; F175-Y253 HydrophobicContact CE2-CE2 4.2Å; F175-Y253 AromaticContact CE2-CG 3.91Å; F175-Y253 HydrophobicContact CE2-CG 3.91Å; F175-Y253 HydrophobicContact CG-CD2 4.38Å; F175-Y253 HydrophobicContact CG-CG 4.14Å; F175-Y253 HydrophobicContact CZ-CD2 4.09Å; F175-Y253 HydrophobicContact CZ-CG 4.47Å |
| 176 | V | 94.5 | Very high | 94 | Very high | 57 Ų | 57 | 62.4 Ų | 62.4 | 35% | 0.345 | 31% | 0.31 | S | S | . | . | trans | -81.9 | 106.7 | 159.9 | -179.8 | 0 | 0 | 0 | 0 | 108.6 | L182 T184 T228 | V176-L182 HydrophobicContact CG1-CB 3.99Å; V176-L182 HydrophobicContact CG1-CD1 4.31Å; V176-T184 PolarHBondContact N-OG1 2.66Å; V176-T228 HydrophobicContact CB-CG2 4.31Å; V176-T228 HydrophobicContact CG2-CG2 3.77Å | ||
| 177 | L | 91.9 | Very high | 94.2 | Very high | 58 Ų | 58 | 62.4 Ų | 62.4 | 30% | 0.304 | 31% | 0.309 | S | S | . | . | trans | -96 | 163 | 178.5 | -56.2 | 179.2 | 0 | 0 | 0 | 111.2 | K172 F175 S179 Y253 | K172-L177 HydrophobicContact CD-CD1 4.36Å; K172-L177 HydrophobicContact CG-CD1 3.65Å; F175-L177 HydrophobicContact CB-CD2 3.69Å; F175-L177 HydrophobicContact CB-CG 4.14Å; F175-L177 PolarHBondContact O-N 3.48Å; L177-S179 PolarHBondContact O-N 3.24Å; L177-Y253 HydrophobicContact CD1-CD1 3.86Å; L177-Y253 HydrophobicContact CD1-CE1 3.97Å; L177-Y253 HydrophobicContact CD2-CD1 3.8Å; L177-Y253 HydrophobicContact CD2-CG 4.33Å; L177-Y253 HydrophobicContact CG-CD1 4.48Å | ||
| 178 | D | 89.6 | Confident | 94.6 | Very high | 171 Ų | 171 | 61.7 Ų | 61.7 | 91% | 0.914 | 30% | 0.303 | S | S | * | . | S | Bend | trans | 55.2 | 20 | 174 | -52.3 | -39.5 | 0 | 0 | 0 | 116 | ||
| 179 | S | 93.1 | Very high | 95.1 | Very high | 26 Ų | 26 | 56.9 Ų | 56.9 | 18% | 0.182 | 28% | 0.281 | C | S | . | . | trans | -94.2 | 126.2 | 174.4 | -169.8 | 0 | 0 | 0 | 0 | 111.6 | L177 Y181 L182 R231 | L177-S179 PolarHBondContact O-N 3.24Å; S179-Y181 PolarHBondContact O-N 3.02Å; S179-Y181 PolarHBondContact OG-N 2.7Å; S179-L182 PolarHBondContact OG-N 3.4Å; S179-R231 PolarHBondContact O-NE 3.48Å; S179-R231 VanDerWaalsContact O-NE 3.12Å; S179-R231 PolarHBondContact O-NH2 3.39Å | ||
| 180 | E | 93.4 | Very high | 95.4 | Very high | 157 Ų | 157 | 57.2 Ų | 57.2 | 73% | 0.734 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -68.6 | -21.4 | 169.6 | -64.8 | -174.5 | 166.9 | 0 | 0 | 112.5 | R231 | E180-R231 WeakPolarHBondContact O-CD 3.36Š|
| 181 | Y | 95.3 | Very high | 95.6 | Very high | 154 Ų | 154 | 60.2 Ų | 60.2 | 60% | 0.604 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -110.5 | -40.2 | -172.5 | -60.7 | -77.5 | 0 | 0 | 0 | 113.3 | S179 F230 R231 | S179-Y181 PolarHBondContact O-N 3.02Å; S179-Y181 PolarHBondContact OG-N 2.7Å; Y181-F230 CarbonylContact O-C 3.5Å; Y181-F230 VanDerWaalsContact O-CA 3.27Å; Y181-F230 WeakPolarHBondContact O-CA 3.38Å; Y181-R231 PolarHBondContact O-N 3.01Å |
| 182 | L | 96.8 | Very high | 95.7 | Very high | 42 Ų | 42 | 60.7 Ų | 60.7 | 22% | 0.22 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 151.2 | -174.9 | -60.4 | 177.9 | 0 | 0 | 0 | 111.2 | V176 S179 V209 T228 L229 F230 R231 | V176-L182 HydrophobicContact CG1-CB 3.99Å; V176-L182 HydrophobicContact CG1-CD1 4.31Å; S179-L182 PolarHBondContact OG-N 3.4Å; L182-V209 HydrophobicContact CD2-CG2 4.04Å; L182-T228 HydrophobicContact CB-CG2 4.21Å; L182-T228 HydrophobicContact CD1-CG2 4.48Å; L182-L229 WeakPolarHBondContact CA-O 3.41Å; L182-F230 HydrophobicContact CD2-CD1 4.34Å; L182-F230 HydrophobicContact CD2-CD2 3.71Å; L182-F230 HydrophobicContact CD2-CE1 4.37Å; L182-F230 HydrophobicContact CD2-CE2 3.78Å; L182-F230 HydrophobicContact CD2-CG 4.03Å; L182-F230 HydrophobicContact CD2-CZ 4.12Å; L182-R231 PolarHBondContact O-NE 3.37Å |
| 183 | V | 96.6 | Very high | 95.9 | Very high | 26 Ų | 26 | 57.9 Ų | 57.9 | 16% | 0.158 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 144.6 | 170.9 | 61.9 | 0 | 0 | 0 | 0 | 109 | L185 T228 L229 R231 V234 | V183-L185 HydrophobicContact CG2-CD2 4.41Å; V183-T228 WeakPolarHBondContact O-CA 3.31Å; V183-L229 PolarHBondContact N-O 3.08Å; V183-L229 PolarHBondContact O-N 3Å; V183-R231 HydrophobicContact CB-CG 3.94Å; V183-R231 HydrophobicContact CG1-CG 3.94Å; V183-V234 HydrophobicContact CG1-CG2 3.45Å; V183-V234 VanDerWaalsContact CG1-CG2 3.45Å |
| 184 | T | 97.6 | Very high | 96 | Very high | 8 Ų | 8 | 52.6 Ų | 52.6 | 5% | 0.049 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 126.8 | 171.3 | -54.8 | 0 | 0 | 0 | 0 | 109.6 | D174 F175 V176 N226 V227 T228 | D174-T184 WeakPolarHBondContact O-CG2 3.31Å; F175-T184 HydrophobicContact CD1-CG2 4.12Å; V176-T184 PolarHBondContact N-OG1 2.66Å; T184-N226 HydrophobicContact CG2-CB 3.78Å; T184-V227 CarbonylContact C-O 3.56Å; T184-V227 VanDerWaalsContact CA-O 3.29Å; T184-V227 WeakPolarHBondContact CA-O 3.48Å; T184-T228 PolarHBondContact OG1-OG1 2.91Å |
| 185 | L | 97.8 | Very high | 96.1 | Very high | 9 Ų | 9 | 56.5 Ų | 56.5 | 5% | 0.047 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 151.1 | 173.3 | -58.8 | 179.5 | 0 | 0 | 0 | 110.1 | V183 N226 V227 L229 V234 F237 V248 | V183-L185 HydrophobicContact CG2-CD2 4.41Å; L185-N226 CarbonylContact O-C 3.53Å; L185-N226 WeakPolarHBondContact O-CA 3.43Å; L185-V227 HydrophobicContact CB-CG1 3.98Å; L185-V227 PolarHBondContact N-O 2.94Å; L185-V227 PolarHBondContact O-N 3.21Å; L185-L229 HydrophobicContact CB-CD2 4.43Å; L185-L229 HydrophobicContact CD1-CD1 4.36Å; L185-L229 HydrophobicContact CD1-CD2 3.7Å; L185-L229 HydrophobicContact CG-CD2 3.78Å; L185-V234 HydrophobicContact CD1-CG1 4.23Å; L185-V234 HydrophobicContact CD1-CG2 4.49Å; L185-V234 HydrophobicContact CD2-CG1 4.38Å; L185-F237 HydrophobicContact CD1-CD1 3.88Å; L185-F237 HydrophobicContact CD1-CE1 4.41Å; L185-V248 HydrophobicContact CB-CG1 4.11Å; L185-V248 HydrophobicContact CD1-CG1 4.03Å; L185-V248 HydrophobicContact CG-CG1 4.46Å |
| 186 | L | 98.2 | Very high | 96.2 | Very high | 1 Ų | 1 | 58.7 Ų | 58.7 | 1% | 0.005 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 132.1 | 170.3 | -61.7 | -177.8 | 0 | 0 | 0 | 109.5 | L166 V170 F175 L216 L224 C225 N226 V248 R249 F251 | L166-L186 HydrophobicContact CB-CD1 4.04Å; L166-L186 HydrophobicContact CD1-CB 4.15Å; L166-L186 HydrophobicContact CD1-CD1 3.44Å; L166-L186 VanDerWaalsContact CD1-CD1 3.44Å; L166-L186 HydrophobicContact CD1-CG 4.49Å; L166-L186 HydrophobicContact CG-CD1 4.38Å; V170-L186 HydrophobicContact CG1-CD1 3.74Å; V170-L186 HydrophobicContact CG1-CD2 4.2Å; F175-L186 HydrophobicContact CE1-CD1 4.29Å; F175-L186 HydrophobicContact CE1-CD2 4Å; F175-L186 HydrophobicContact CE1-CG 4.01Å; F175-L186 HydrophobicContact CZ-CD1 3.95Å; F175-L186 HydrophobicContact CZ-CD2 3.88Å; F175-L186 HydrophobicContact CZ-CG 4.07Å; L186-L216 HydrophobicContact CD2-CD1 3.65Å; L186-L224 HydrophobicContact CB-CD1 4.17Å; L186-C225 CarbonylContact C-O 3.58Å; L186-C225 WeakPolarHBondContact CA-O 3.48Å; L186-N226 HydrophobicContact CD2-CB 4.19Å; L186-V248 CarbonylContact O-C 3.55Å; L186-V248 WeakPolarHBondContact O-CA 3.47Å; L186-R249 HydrophobicContact CB-CB 4.35Å; L186-R249 PolarHBondContact O-N 2.91Å; L186-F251 HydrophobicContact CD1-CB 4.01Å; L186-F251 HydrophobicContact CD1-CD1 3.43Å; L186-F251 VanDerWaalsContact CD1-CD1 3.43Å; L186-F251 HydrophobicContact CD1-CE1 4.06Å; L186-F251 HydrophobicContact CD1-CG 3.78Å; L186-F251 HydrophobicContact CG-CD1 4.28Å |
| 187 | V | 98.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 124.2 | -174.4 | -170.3 | 0 | 0 | 0 | 0 | 109.3 | V189 W197 C225 V227 F237 F246 I247 V248 | V187-V189 HydrophobicContact CB-CG2 4.45Å; V187-V189 HydrophobicContact CG1-CG2 3.97Å; V187-W197 HydrophobicContact CB-CH2 3.83Å; V187-W197 HydrophobicContact CB-CZ2 4.32Å; V187-W197 HydrophobicContact CB-CZ3 4.27Å; V187-W197 HydrophobicContact CG1-CE3 4.49Å; V187-W197 HydrophobicContact CG1-CH2 3.91Å; V187-W197 HydrophobicContact CG1-CZ3 3.81Å; V187-W197 HydrophobicContact CG2-CH2 3.68Å; V187-W197 HydrophobicContact CG2-CZ2 4.39Å; V187-W197 HydrophobicContact CG2-CZ3 4.34Å; V187-C225 PolarHBondContact N-O 3.24Å; V187-C225 PolarHBondContact O-N 3.21Å; V187-V227 HydrophobicContact CG2-CG1 3.83Å; V187-F237 HydrophobicContact CG2-CE1 4.19Å; V187-F246 HydrophobicContact CG1-CB 3.72Å; V187-I247 WeakPolarHBondContact CA-O 3.46Å; V187-V248 HydrophobicContact CG2-CG2 4.12Å |
| 188 | V | 98.2 | Very high | 96.6 | Very high | 1 Ų | 1 | 57.5 Ų | 57.5 | 1% | 0.006 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 116.3 | 171.5 | -177.2 | 0 | 0 | 0 | 0 | 108.1 | L161 L162 S222 Y223 L224 I247 R249 | L161-V188 HydrophobicContact CB-CG1 4.22Å; L161-V188 HydrophobicContact CB-CG2 4Å; L162-V188 HydrophobicContact CD2-CB 3.68Å; L162-V188 HydrophobicContact CD2-CG1 3.5Å; L162-V188 VanDerWaalsContact CD2-CG1 3.5Å; L162-V188 HydrophobicContact CD2-CG2 4.08Å; L162-V188 HydrophobicContact CG-CG1 3.98Å; V188-S222 VanDerWaalsContact CG1-CB 3.43Å; V188-Y223 CarbonylContact C-O 3.56Å; V188-Y223 WeakPolarHBondContact CA-O 3.23Å; V188-L224 HydrophobicContact CG2-CD1 3.94Å; V188-I247 HydrophobicContact CB-CB 4.42Å; V188-I247 PolarHBondContact N-O 3.47Å; V188-I247 PolarHBondContact O-N 2.61Å; V188-R249 HydrophobicContact CG2-CG 3.59Å |
| 189 | V | 98.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 117.3 | -175.3 | 179 | 0 | 0 | 0 | 0 | 108.1 | V187 K191 W197 S222 Y223 C225 F246 | V187-V189 HydrophobicContact CB-CG2 4.45Å; V187-V189 HydrophobicContact CG1-CG2 3.97Å; V189-K191 PolarHBondContact O-N 2.88Å; V189-W197 HydrophobicContact CG1-CB 3.73Å; V189-W197 HydrophobicContact CG1-CG 4.15Å; V189-W197 HydrophobicContact CG2-CB 4.29Å; V189-W197 HydrophobicContact CG2-CD2 3.7Å; V189-W197 HydrophobicContact CG2-CE3 3.93Å; V189-W197 HydrophobicContact CG2-CG 3.86Å; V189-S222 CarbonylContact O-C 3.53Å; V189-S222 WeakPolarHBondContact O-CA 3.26Å; V189-Y223 PolarHBondContact N-O 3.3Å; V189-Y223 PolarHBondContact O-N 2.97Å; V189-C225 HydrophobicContact CG2-CB 4.42Å; V189-F246 HydrophobicContact CB-CD1 4.44Å; V189-F246 HydrophobicContact CG1-CD1 3.95Å; V189-F246 HydrophobicContact CG1-CE1 3.93Å; V189-F246 HydrophobicContact CG2-CD1 4.21Å |
| 190 | P | 97.9 | Very high | 97 | Very high | 38 Ų | 38 | 58.8 Ų | 58.8 | 25% | 0.247 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.9 | 137.1 | 174.1 | -25.6 | 34.6 | 0 | 0 | 0 | 110.9 | L192 N193 H194 | P190-L192 PolarHBondContact O-N 3.16Å; P190-N193 CarbonylContact O-C 3.59Å; P190-N193 PolarHBondContact O-N 2.98Å; P190-H194 PolarHBondContact O-N 3.37Å |
| 191 | K | 97.6 | Very high | 97.2 | Very high | 71 Ų | 71 | 51.7 Ų | 51.7 | 31% | 0.309 | 25% | 0.252 | S | S | . | . | G | 310 helix | trans | -54 | -34.8 | -178.5 | -71.9 | -173 | -177.7 | -170.9 | 0 | 112.3 | V189 N193 H194 E218 D219 D221 Y223 | V189-K191 PolarHBondContact O-N 2.88Å; K191-N193 VanDerWaalsContact C-N 3.27Å; K191-N193 PolarHBondContact O-N 3.47Å; K191-H194 PolarHBondContact O-N 3.34Å; K191-E218 WeakPolarHBondContact CE-OE2 3.36Å; K191-E218 IonicContact NZ-OE2 2.94Å; K191-E218 PolarHBondContact NZ-OE2 3.08Å; K191-D219 WeakPolarHBondContact CE-O 3.41Å; K191-D219 PolarHBondContact NZ-O 3.29Å; K191-D221 WeakPolarHBondContact CG-O 3.36Å; K191-D221 PolarHBondContact N-O 3.27Å; K191-Y223 HydrophobicContact CB-CE2 4.16Å; K191-Y223 HydrophobicContact CD-CE2 4.36Å; K191-Y223 HydrophobicContact CG-CD2 3.93Å; K191-Y223 HydrophobicContact CG-CE2 3.64Å |
| 192 | L | 96.6 | Very high | 97.3 | Very high | 154 Ų | 154 | 47.8 Ų | 47.8 | 81% | 0.806 | 24% | 0.239 | S | C | * | . | G | 310 helix | trans | -59.9 | -33 | 176.3 | -173.3 | 65.8 | 0 | 0 | 0 | 113.5 | P190 | P190-L192 PolarHBondContact O-N 3.16Š|
| 193 | N | 96.6 | Very high | 97.3 | Very high | 36 Ų | 36 | 51.1 Ų | 51.1 | 19% | 0.193 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -106.6 | 11 | -174.8 | -66.6 | 89.8 | 0 | 0 | 0 | 112.8 | P190 K191 N195 D196 W197 F246 | P190-N193 CarbonylContact O-C 3.59Å; P190-N193 PolarHBondContact O-N 2.98Å; K191-N193 VanDerWaalsContact C-N 3.27Å; K191-N193 PolarHBondContact O-N 3.47Å; N193-N195 VanDerWaalsContact C-N 3.3Å; N193-N195 PolarHBondContact O-N 2.84Å; N193-D196 PolarHBondContact ND2-OD2 2.96Å; N193-D196 WeakPolarHBondContact O-CB 3.25Å; N193-D196 PolarHBondContact O-N 3.49Å; N193-D196 VanDerWaalsContact O-N 3.12Å; N193-W197 PolarHBondContact O-N 3.38Å; N193-F246 HydrophobicContact CB-CE1 3.89Å |
| 194 | H | 97.2 | Very high | 97.3 | Very high | 41 Ų | 41 | 50.5 Ų | 50.5 | 19% | 0.19 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.4 | -38 | 179.7 | -179.2 | -102.1 | 0 | 0 | 0 | 112.6 | P190 K191 D196 W197 I198 Y223 | P190-H194 PolarHBondContact O-N 3.37Å; K191-H194 PolarHBondContact O-N 3.34Å; H194-D196 VanDerWaalsContact C-N 3.29Å; H194-D196 PolarHBondContact O-N 3.4Å; H194-W197 WeakPolarHBondContact O-CB 3.47Å; H194-W197 PolarHBondContact O-N 3.44Å; H194-I198 WeakPolarHBondContact O-CG1 3.29Å; H194-I198 PolarHBondContact O-N 2.87Å; H194-I198 VanDerWaalsContact O-N 3.09Å; H194-Y223 HydrophobicContact CB-CD2 3.9Å; H194-Y223 HydrophobicContact CB-CE2 4.01Å; H194-Y223 AromaticContact CD2-CD2 3.54Å; H194-Y223 AromaticContact CG-CD2 3.75Å; H194-Y223 AromaticContact CG-CE2 3.89Å |
| 195 | N | 97.1 | Very high | 97.2 | Very high | 116 Ų | 116 | 50.4 Ų | 50.4 | 62% | 0.62 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -64.6 | -34.8 | 175.6 | -72.5 | -32.9 | 0 | 0 | 0 | 112.4 | N193 K199 | N193-N195 VanDerWaalsContact C-N 3.3Å; N193-N195 PolarHBondContact O-N 2.84Å; N195-K199 VanDerWaalsContact O-CG 3.31Å; N195-K199 WeakPolarHBondContact O-CG 3.38Å; N195-K199 PolarHBondContact O-N 2.92Å |
| 196 | D | 97.1 | Very high | 97 | Very high | 66 Ų | 66 | 57.3 Ų | 57.3 | 35% | 0.353 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -68.9 | -45.3 | 176.3 | -57.1 | -31.2 | 0 | 0 | 0 | 109.6 | N193 H194 I198 K199 Q200 F246 | N193-D196 PolarHBondContact ND2-OD2 2.96Å; N193-D196 WeakPolarHBondContact O-CB 3.25Å; N193-D196 PolarHBondContact O-N 3.49Å; N193-D196 VanDerWaalsContact O-N 3.12Å; H194-D196 VanDerWaalsContact C-N 3.29Å; H194-D196 PolarHBondContact O-N 3.4Å; D196-I198 PolarHBondContact O-N 3.21Å; D196-K199 PolarHBondContact O-N 2.92Å; D196-K199 VanDerWaalsContact O-N 3.12Å; D196-Q200 VanDerWaalsContact O-CG 3.23Å; D196-Q200 WeakPolarHBondContact O-CG 3.32Å; D196-Q200 PolarHBondContact O-N 2.63Å; D196-F246 HydrophobicContact CB-CZ 4.25Å |
| 197 | W | 97.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -51.1 | -56 | 175.6 | 172.1 | -103.2 | 0 | 0 | 0 | 111.7 | V187 V189 N193 H194 K199 Q200 Y201 L204 S213 C225 V227 F237 F246 | V187-W197 HydrophobicContact CB-CH2 3.83Å; V187-W197 HydrophobicContact CB-CZ2 4.32Å; V187-W197 HydrophobicContact CB-CZ3 4.27Å; V187-W197 HydrophobicContact CG1-CE3 4.49Å; V187-W197 HydrophobicContact CG1-CH2 3.91Å; V187-W197 HydrophobicContact CG1-CZ3 3.81Å; V187-W197 HydrophobicContact CG2-CH2 3.68Å; V187-W197 HydrophobicContact CG2-CZ2 4.39Å; V187-W197 HydrophobicContact CG2-CZ3 4.34Å; V189-W197 HydrophobicContact CG1-CB 3.73Å; V189-W197 HydrophobicContact CG1-CG 4.15Å; V189-W197 HydrophobicContact CG2-CB 4.29Å; V189-W197 HydrophobicContact CG2-CD2 3.7Å; V189-W197 HydrophobicContact CG2-CE3 3.93Å; V189-W197 HydrophobicContact CG2-CG 3.86Å; N193-W197 PolarHBondContact O-N 3.38Å; H194-W197 WeakPolarHBondContact O-CB 3.47Å; H194-W197 PolarHBondContact O-N 3.44Å; W197-K199 PolarHBondContact O-N 3.01Å; W197-Q200 PolarHBondContact O-N 2.71Å; W197-Y201 HydrophobicContact CD2-CG 4.46Å; W197-Y201 HydrophobicContact CH2-CG 4.47Å; W197-Y201 HydrophobicContact CZ2-CD2 4.25Å; W197-Y201 HydrophobicContact CZ2-CG 4.11Å; W197-Y201 WeakPolarHBondContact O-CB 3.17Å; W197-Y201 WeakPolarHBondContact O-CD1 3.15Å; W197-Y201 PolarHBondContact O-N 2.93Å; W197-L204 HydrophobicContact CZ3-CD1 4.31Å; W197-S213 WeakPolarHBondContact CZ2-OG 3.32Å; W197-S213 PolarHBondContact NE1-OG 2.92Å; W197-C225 HydrophobicContact CZ2-CB 4.14Å; W197-V227 HydrophobicContact CH2-CB 4.25Å; W197-V227 HydrophobicContact CH2-CG1 4.15Å; W197-V227 HydrophobicContact CZ2-CB 4.18Å; W197-V227 HydrophobicContact CZ2-CG1 4.49Å; W197-F237 HydrophobicContact CH2-CE1 4.41Å; W197-F237 AromaticContact CH2-CZ 3.77Å; W197-F237 HydrophobicContact CH2-CZ 3.77Å; W197-F237 HydrophobicContact CZ3-CZ 4.02Å; W197-F246 HydrophobicContact CB-CE1 4.03Å; W197-F246 HydrophobicContact CB-CE2 4.48Å; W197-F246 HydrophobicContact CB-CZ 3.9Å; W197-F246 HydrophobicContact CE3-CB 4.42Å; W197-F246 HydrophobicContact CE3-CD1 4.31Å; W197-F246 AromaticContact CE3-CD2 3.56Å; W197-F246 HydrophobicContact CE3-CD2 3.56Å; W197-F246 HydrophobicContact CE3-CE1 4.48Å; W197-F246 AromaticContact CE3-CE2 3.76Å; W197-F246 HydrophobicContact CE3-CE2 3.76Å; W197-F246 AromaticContact CE3-CG 3.86Å; W197-F246 HydrophobicContact CE3-CG 3.86Å; W197-F246 HydrophobicContact CE3-CZ 4.24Å; W197-F246 HydrophobicContact CZ3-CB 4.39Å; W197-F246 AromaticContact CZ3-CD2 3.94Å; W197-F246 HydrophobicContact CZ3-CD2 3.94Å; W197-F246 HydrophobicContact CZ3-CE2 4.49Å; W197-F246 HydrophobicContact CZ3-CG 4.26Å |
| 198 | I | 96.9 | Very high | 96.9 | Very high | 90 Ų | 90 | 62 Ų | 62 | 46% | 0.462 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -58.5 | -34.4 | -178.9 | -63.6 | -62.8 | 0 | 0 | 0 | 112.5 | H194 D196 | H194-I198 WeakPolarHBondContact O-CG1 3.29Å; H194-I198 PolarHBondContact O-N 2.87Å; H194-I198 VanDerWaalsContact O-N 3.09Å; D196-I198 PolarHBondContact O-N 3.21Å |
| 199 | K | 96.1 | Very high | 96.8 | Very high | 170 Ų | 170 | 64.1 Ų | 64.1 | 74% | 0.739 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -78.1 | -28 | -178.5 | -73.8 | 176.1 | -176.5 | 177.5 | 0 | 114 | N195 D196 W197 | N195-K199 VanDerWaalsContact O-CG 3.31Å; N195-K199 WeakPolarHBondContact O-CG 3.38Å; N195-K199 PolarHBondContact O-N 2.92Å; D196-K199 PolarHBondContact O-N 2.92Å; D196-K199 VanDerWaalsContact O-N 3.12Å; W197-K199 PolarHBondContact O-N 3.01Å |
| 200 | Q | 96.3 | Very high | 96.7 | Very high | 54 Ų | 54 | 67.9 Ų | 67.9 | 25% | 0.252 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -129.4 | -11.1 | -165 | 82.9 | -170 | -16.3 | 0 | 0 | 115.6 | D196 W197 E202 T203 L204 N244 F246 | D196-Q200 VanDerWaalsContact O-CG 3.23Å; D196-Q200 WeakPolarHBondContact O-CG 3.32Å; D196-Q200 PolarHBondContact O-N 2.63Å; W197-Q200 PolarHBondContact O-N 2.71Å; Q200-E202 PolarHBondContact O-N 3.09Å; Q200-E202 VanDerWaalsContact O-N 3.13Å; Q200-T203 PolarHBondContact O-N 3.43Å; Q200-T203 PolarHBondContact O-OG1 3.49Å; Q200-T203 VanDerWaalsContact O-OG1 3.05Å; Q200-L204 HydrophobicContact CG-CD2 4.28Å; Q200-L204 PolarHBondContact O-N 2.97Å; Q200-N244 PolarHBondContact NE2-OD1 3.15Å; Q200-F246 HydrophobicContact CG-CE2 4.37Å |
| 201 | Y | 97.6 | Very high | 96.6 | Very high | 8 Ų | 8 | 76.6 Ų | 76.6 | 3% | 0.031 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -57.2 | -34.7 | -176.1 | 84.2 | -83 | 0 | 0 | 0 | 112.4 | W197 T203 L204 V208 R211 S212 V227 | W197-Y201 HydrophobicContact CD2-CG 4.46Å; W197-Y201 HydrophobicContact CH2-CG 4.47Å; W197-Y201 HydrophobicContact CZ2-CD2 4.25Å; W197-Y201 HydrophobicContact CZ2-CG 4.11Å; W197-Y201 WeakPolarHBondContact O-CB 3.17Å; W197-Y201 WeakPolarHBondContact O-CD1 3.15Å; W197-Y201 PolarHBondContact O-N 2.93Å; Y201-T203 VanDerWaalsContact C-N 3.25Å; Y201-T203 PolarHBondContact O-N 3.37Å; Y201-L204 PolarHBondContact O-N 3.06Å; Y201-V208 HydrophobicContact CD2-CG1 4.21Å; Y201-V208 HydrophobicContact CE2-CG1 4.22Å; Y201-R211 WeakPolarHBondContact OH-CA 3.23Å; Y201-R211 PolarHBondContact OH-N 3.14Å; Y201-S212 PolarHBondContact OH-N 3.49Å; Y201-S212 VanDerWaalsContact OH-N 3.12Å; Y201-V227 HydrophobicContact CD2-CB 4.42Å; Y201-V227 HydrophobicContact CD2-CG2 3.65Å; Y201-V227 HydrophobicContact CE2-CG2 3.89Å |
| 202 | E | 97.4 | Very high | 96.6 | Very high | 73 Ų | 73 | 74 Ų | 74 | 34% | 0.341 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -66.9 | -24 | 178.7 | -57.4 | -172.2 | 177.3 | 0 | 0 | 113.4 | Q200 R211 | Q200-E202 PolarHBondContact O-N 3.09Å; Q200-E202 VanDerWaalsContact O-N 3.13Å; E202-R211 PolarHBondContact OE1-N 2.99Å |
| 203 | T | 96.7 | Very high | 96.6 | Very high | 112 Ų | 112 | 67.4 Ų | 67.4 | 69% | 0.687 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -108 | 1.9 | -176.3 | 60.3 | 0 | 0 | 0 | 0 | 113.1 | Q200 Y201 | Q200-T203 PolarHBondContact O-N 3.43Å; Q200-T203 PolarHBondContact O-OG1 3.49Å; Q200-T203 VanDerWaalsContact O-OG1 3.05Å; Y201-T203 VanDerWaalsContact C-N 3.25Å; Y201-T203 PolarHBondContact O-N 3.37Å |
| 204 | L | 95.8 | Very high | 96.6 | Very high | 12 Ų | 12 | 70.4 Ų | 70.4 | 6% | 0.063 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -59.3 | -58.2 | 175 | -70 | 177.5 | 0 | 0 | 0 | 109.5 | W197 Q200 Y201 F237 K240 A241 F246 | W197-L204 HydrophobicContact CZ3-CD1 4.31Å; Q200-L204 HydrophobicContact CG-CD2 4.28Å; Q200-L204 PolarHBondContact O-N 2.97Å; Y201-L204 PolarHBondContact O-N 3.06Å; L204-F237 HydrophobicContact CB-CD2 3.98Å; L204-F237 HydrophobicContact CB-CE2 3.94Å; L204-F237 HydrophobicContact CD1-CD2 4.45Å; L204-F237 HydrophobicContact CD1-CE2 3.79Å; L204-F237 HydrophobicContact CD1-CZ 4.01Å; L204-F237 HydrophobicContact CG-CE2 4.43Å; L204-K240 HydrophobicContact CB-CB 4.34Å; L204-K240 HydrophobicContact CD2-CB 4.29Å; L204-K240 WeakPolarHBondContact O-CD 3.34Å; L204-K240 WeakPolarHBondContact O-CE 3.46Å; L204-K240 PolarHBondContact O-NZ 3.47Å; L204-A241 HydrophobicContact CD1-CB 4.34Å; L204-F246 HydrophobicContact CD1-CD2 4.21Å; L204-F246 HydrophobicContact CD1-CE2 4.46Å |
| 205 | A | 95.3 | Very high | 96.6 | Very high | 7 Ų | 7 | 71.7 Ų | 71.7 | 6% | 0.058 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -119.6 | 160 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | V208 A233 D236 F237 | A205-V208 HydrophobicContact CB-CG2 4.18Å; A205-V208 WeakPolarHBondContact O-CG2 3.36Å; A205-A233 HydrophobicContact CB-CB 4.37Å; A205-D236 WeakPolarHBondContact CA-OD2 3.39Å; A205-D236 HydrophobicContact CB-CB 4.3Å; A205-D236 VanDerWaalsContact CB-OD2 3.3Å; A205-D236 WeakPolarHBondContact CB-OD2 3.33Å; A205-F237 HydrophobicContact CB-CB 3.85Å; A205-F237 HydrophobicContact CB-CD2 4.13Å |
| 206 | E | 93.7 | Very high | 96.6 | Very high | 154 Ų | 154 | 68.1 Ų | 68.1 | 72% | 0.72 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | 154.5 | 164.4 | -65.7 | -173.9 | 178.6 | 0 | 0 | 109.9 | V208 A233 | E206-V208 VanDerWaalsContact C-N 3.28Å; E206-V208 PolarHBondContact O-N 3.26Å; E206-A233 WeakPolarHBondContact O-CB 3.48Å |
| 207 | M | 96.6 | Very high | 96.6 | Very high | 84 Ų | 84 | 66.9 Ų | 66.9 | 41% | 0.414 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.4 | 26.1 | 176.6 | -49.5 | 175 | -81.7 | 0 | 0 | 115 | L229 F230 K232 A233 | M207-L229 WeakPolarHBondContact O-CA 3.36Å; M207-L229 WeakPolarHBondContact O-CB 3.13Å; M207-F230 HydrophobicContact CB-CB 3.76Å; M207-F230 HydrophobicContact CB-CD2 3.64Å; M207-F230 HydrophobicContact CB-CE2 4.47Å; M207-F230 HydrophobicContact CB-CG 3.89Å; M207-F230 HydrophobicContact CG-CB 4.48Å; M207-F230 HydrophobicContact CG-CD2 4.46Å; M207-F230 HydrophobicContact CG-CG 4.49Å; M207-F230 WeakPolarHBondContact O-CD2 3.34Å; M207-F230 PolarHBondContact O-N 2.87Å; M207-F230 HydrophobicContact SD-CB 4.01Å; M207-F230 HydrophobicContact SD-CG 4.27Å; M207-K232 HydrophobicContact CE-CB 3.97Å; M207-A233 HydrophobicContact CB-CB 4.24Å; M207-A233 HydrophobicContact CE-CB 3.87Å |
| 208 | V | 97.8 | Very high | 96.5 | Very high | 14 Ų | 14 | 72 Ų | 72 | 9% | 0.085 | 36% | 0.364 | C | S | . | . | B | Isolated β-bridge | trans | -77.1 | 134.4 | 162.2 | 179.9 | 0 | 0 | 0 | 0 | 108.8 | Y201 A205 E206 P210 V227 L229 F237 | Y201-V208 HydrophobicContact CD2-CG1 4.21Å; Y201-V208 HydrophobicContact CE2-CG1 4.22Å; A205-V208 HydrophobicContact CB-CG2 4.18Å; A205-V208 WeakPolarHBondContact O-CG2 3.36Å; E206-V208 VanDerWaalsContact C-N 3.28Å; E206-V208 PolarHBondContact O-N 3.26Å; V208-P210 VanDerWaalsContact O-CD 3.31Å; V208-P210 WeakPolarHBondContact O-CD 3.33Å; V208-V227 HydrophobicContact CG1-CG2 3.87Å; V208-L229 HydrophobicContact CB-CB 4.47Å; V208-L229 HydrophobicContact CG2-CB 4.22Å; V208-F237 HydrophobicContact CG2-CD2 3.7Å; V208-F237 HydrophobicContact CG2-CE2 3.98Å |
| 209 | V | 97.3 | Very high | 96.5 | Very high | 46 Ų | 46 | 69.5 Ų | 69.5 | 28% | 0.279 | 35% | 0.352 | S | S | . | . | P | Polyproline II helix | trans | -75.3 | 120.1 | 177.6 | -179.4 | 0 | 0 | 0 | 0 | 108.4 | L182 S212 T228 | L182-V209 HydrophobicContact CD2-CG2 4.04Å; V209-S212 WeakPolarHBondContact O-CB 3.26Å; V209-S212 PolarHBondContact O-N 3.3Å; V209-S212 PolarHBondContact O-OG 3.06Å; V209-T228 VanDerWaalsContact CB-O 3.3Å; V209-T228 WeakPolarHBondContact CB-O 3.43Å; V209-T228 HydrophobicContact CG2-CG2 4.03Å; V209-T228 PolarHBondContact N-O 3.44Å |
| 210 | P | 96.1 | Very high | 96.4 | Very high | 79 Ų | 79 | 69.4 Ų | 69.4 | 51% | 0.513 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | 147.1 | 179.4 | -24.1 | 35.3 | 0 | 0 | 0 | 112.2 | V208 S212 | V208-P210 VanDerWaalsContact O-CD 3.31Å; V208-P210 WeakPolarHBondContact O-CD 3.33Å; P210-S212 PolarHBondContact O-N 3.34Å |
| 211 | R | 95.8 | Very high | 96.4 | Very high | 221 Ų | 221 | 72.1 Ų | 72.1 | 83% | 0.834 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.7 | 31.6 | -178.9 | -57.7 | 172.9 | -69.3 | -179.3 | -2 | 113.8 | Y201 E202 | Y201-R211 WeakPolarHBondContact OH-CA 3.23Å; Y201-R211 PolarHBondContact OH-N 3.14Å; E202-R211 PolarHBondContact OE1-N 2.99Å |
| 212 | S | 96.1 | Very high | 96.4 | Very high | 17 Ų | 17 | 72.2 Ų | 72.2 | 12% | 0.119 | 37% | 0.372 | C | S | . | . | trans | -98.7 | 4.7 | -179.1 | 69.4 | 0 | 0 | 0 | 0 | 114.3 | Y201 V209 P210 T228 | Y201-S212 PolarHBondContact OH-N 3.49Å; Y201-S212 VanDerWaalsContact OH-N 3.12Å; V209-S212 WeakPolarHBondContact O-CB 3.26Å; V209-S212 PolarHBondContact O-N 3.3Å; V209-S212 PolarHBondContact O-OG 3.06Å; P210-S212 PolarHBondContact O-N 3.34Å; S212-T228 PolarHBondContact OG-N 3.33Å; S212-T228 PolarHBondContact OG-O 3.3Å | ||
| 213 | S | 97.6 | Very high | 96.5 | Very high | 15 Ų | 15 | 71.5 Ų | 71.5 | 11% | 0.105 | 37% | 0.366 | C | S | . | . | trans | -107.8 | 130 | -178.8 | -170.5 | 0 | 0 | 0 | 0 | 113 | W197 N226 | W197-S213 WeakPolarHBondContact CZ2-OG 3.32Å; W197-S213 PolarHBondContact NE1-OG 2.92Å; S213-N226 WeakPolarHBondContact CA-O 3.44Å; S213-N226 WeakPolarHBondContact CB-O 3.38Å; S213-N226 PolarHBondContact OG-O 2.87Å | ||
| 214 | N | 96.5 | Very high | 96.5 | Very high | 100 Ų | 100 | 66.1 Ų | 66.1 | 54% | 0.535 | 33% | 0.334 | S | S | . | . | trans | -133.4 | 151.8 | 174 | -61.7 | -65 | 0 | 0 | 0 | 110 | C225 N226 | N214-C225 WeakPolarHBondContact O-CA 3.47Å; N214-N226 PolarHBondContact N-OD1 3.34Å; N214-N226 PolarHBondContact O-N 3.35Å; N214-N226 VanDerWaalsContact O-N 3.07Å; N214-N226 PolarHBondContact O-OD1 2.92Å | ||
| 215 | V | 97.7 | Very high | 96.6 | Very high | 68 Ų | 68 | 65.6 Ų | 65.6 | 41% | 0.412 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 120.2 | 169.1 | 177.4 | 0 | 0 | 0 | 0 | 108.7 | Y223 | V215-Y223 HydrophobicContact CG1-CD1 3.59Å; V215-Y223 HydrophobicContact CG1-CE1 4.35Å; V215-Y223 HydrophobicContact CG1-CG 4.2Å; V215-Y223 HydrophobicContact CG2-CD1 4.41Å; V215-Y223 HydrophobicContact CG2-CG 4.4Å |
| 216 | L | 96.9 | Very high | 96.8 | Very high | 40 Ų | 40 | 65.8 Ų | 65.8 | 21% | 0.209 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | -36 | 179.3 | -54.3 | -171.5 | 0 | 0 | 0 | 112.3 | V170 D174 L186 L224 N226 | V170-L216 HydrophobicContact CB-CD1 4.49Å; V170-L216 HydrophobicContact CG1-CD1 3.82Å; D174-L216 HydrophobicContact CB-CD1 3.89Å; D174-L216 HydrophobicContact CB-CD2 4.04Å; D174-L216 WeakPolarHBondContact OD1-CD2 3.35Å; L186-L216 HydrophobicContact CD2-CD1 3.65Å; L216-L224 HydrophobicContact CB-CD2 4.41Å; L216-L224 PolarHBondContact N-O 3.18Å; L216-N226 HydrophobicContact CD1-CB 4.11Å; L216-N226 HydrophobicContact CD2-CB 4.43Å; L216-N226 HydrophobicContact CG-CB 4.39Å |
| 217 | S | 96.7 | Very high | 97 | Very high | 40 Ų | 40 | 58.4 Ų | 58.4 | 28% | 0.28 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.5 | 169.7 | -177 | -163.7 | 0 | 0 | 0 | 0 | 111 | L224 | S217-L224 PolarHBondContact O-N 3.2Å |
| 218 | E | 96.7 | Very high | 97 | Very high | 109 Ų | 109 | 55 Ų | 55 | 51% | 0.509 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 150.7 | 174.5 | 70.2 | 177.6 | 154.2 | 0 | 0 | 111.3 | K191 S222 Y223 | K191-E218 WeakPolarHBondContact CE-OE2 3.36Å; K191-E218 IonicContact NZ-OE2 2.94Å; K191-E218 PolarHBondContact NZ-OE2 3.08Å; E218-S222 WeakPolarHBondContact CA-O 3.4Å; E218-Y223 HydrophobicContact CB-CD1 3.59Å; E218-Y223 HydrophobicContact CB-CE1 3.73Å; E218-Y223 HydrophobicContact CG-CE1 4.46Å; E218-Y223 VanDerWaalsContact OE2-CE1 3.25Å; E218-Y223 WeakPolarHBondContact OE2-CE1 3.45Å |
| 219 | D | 95.2 | Very high | 97.1 | Very high | 37 Ų | 37 | 54.3 Ų | 54.3 | 20% | 0.198 | 28% | 0.276 | C | S | . | . | trans | -115 | -160.4 | 163.6 | 67.4 | 22.6 | 0 | 0 | 0 | 110.3 | L161 K191 D221 S222 | L161-D219 WeakPolarHBondContact CB-OD2 3.25Å; L161-D219 HydrophobicContact CD1-CB 4.1Å; L161-D219 HydrophobicContact CG-CB 4.06Å; L161-D219 WeakPolarHBondContact CG-OD2 3.47Å; L161-D219 PolarHBondContact N-OD2 3.25Å; K191-D219 WeakPolarHBondContact CE-O 3.41Å; K191-D219 PolarHBondContact NZ-O 3.29Å; D219-D221 VanDerWaalsContact C-N 3.28Å; D219-D221 PolarHBondContact O-N 3.28Å; D219-D221 PolarHBondContact OD1-N 3.32Å; D219-S222 PolarHBondContact N-O 3.03Å; D219-S222 PolarHBondContact OD1-N 3.43Å | ||
| 220 | Q | 95.4 | Very high | 97.1 | Very high | 168 Ų | 168 | 56 Ų | 56 | 79% | 0.785 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -61.2 | -36.7 | -179.5 | -173.4 | 171.1 | -3.7 | 0 | 0 | 112.4 | ||
| 221 | D | 95.8 | Very high | 97.1 | Very high | 110 Ų | 110 | 58.2 Ų | 58.2 | 59% | 0.588 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -119.7 | -20.3 | -164.9 | -61 | -48.5 | 0 | 0 | 0 | 113.8 | K191 D219 | K191-D221 WeakPolarHBondContact CG-O 3.36Å; K191-D221 PolarHBondContact N-O 3.27Å; D219-D221 VanDerWaalsContact C-N 3.28Å; D219-D221 PolarHBondContact O-N 3.28Å; D219-D221 PolarHBondContact OD1-N 3.32Å |
| 222 | S | 97.9 | Very high | 97.1 | Very high | 11 Ų | 11 | 56.8 Ų | 56.8 | 8% | 0.077 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 155.8 | -170.5 | -57.2 | 0 | 0 | 0 | 0 | 113.9 | V188 V189 E218 D219 | V188-S222 VanDerWaalsContact CG1-CB 3.43Å; V189-S222 CarbonylContact O-C 3.53Å; V189-S222 WeakPolarHBondContact O-CA 3.26Å; E218-S222 WeakPolarHBondContact CA-O 3.4Å; D219-S222 PolarHBondContact N-O 3.03Å; D219-S222 PolarHBondContact OD1-N 3.43Å |
| 223 | Y | 98.3 | Very high | 97.2 | Very high | 57 Ų | 57 | 56.1 Ų | 56.1 | 22% | 0.224 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 146 | 164.1 | -67 | -65.1 | 0 | 0 | 0 | 110.3 | V188 V189 K191 H194 V215 E218 | V188-Y223 CarbonylContact C-O 3.56Å; V188-Y223 WeakPolarHBondContact CA-O 3.23Å; V189-Y223 PolarHBondContact N-O 3.3Å; V189-Y223 PolarHBondContact O-N 2.97Å; K191-Y223 HydrophobicContact CB-CE2 4.16Å; K191-Y223 HydrophobicContact CD-CE2 4.36Å; K191-Y223 HydrophobicContact CG-CD2 3.93Å; K191-Y223 HydrophobicContact CG-CE2 3.64Å; H194-Y223 HydrophobicContact CB-CD2 3.9Å; H194-Y223 HydrophobicContact CB-CE2 4.01Å; H194-Y223 AromaticContact CD2-CD2 3.54Å; H194-Y223 AromaticContact CG-CD2 3.75Å; H194-Y223 AromaticContact CG-CE2 3.89Å; V215-Y223 HydrophobicContact CG1-CD1 3.59Å; V215-Y223 HydrophobicContact CG1-CE1 4.35Å; V215-Y223 HydrophobicContact CG1-CG 4.2Å; V215-Y223 HydrophobicContact CG2-CD1 4.41Å; V215-Y223 HydrophobicContact CG2-CG 4.4Å; E218-Y223 HydrophobicContact CB-CD1 3.59Å; E218-Y223 HydrophobicContact CB-CE1 3.73Å; E218-Y223 HydrophobicContact CG-CE1 4.46Å; E218-Y223 VanDerWaalsContact OE2-CE1 3.25Å; E218-Y223 WeakPolarHBondContact OE2-CE1 3.45Å |
| 224 | L | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 116.2 | 163.6 | -174.4 | 70 | 0 | 0 | 0 | 108.2 | L161 L166 I169 V170 L186 V188 L216 S217 | L161-L224 HydrophobicContact CD1-CB 3.97Å; L161-L224 HydrophobicContact CD2-CB 4.18Å; L161-L224 HydrophobicContact CD2-CD2 4.44Å; L166-L224 HydrophobicContact CD1-CD1 4.01Å; L166-L224 HydrophobicContact CD2-CD1 4.17Å; L166-L224 HydrophobicContact CD2-CD2 3.99Å; I169-L224 HydrophobicContact CG2-CD2 3.85Å; V170-L224 HydrophobicContact CG1-CD2 3.97Å; L186-L224 HydrophobicContact CB-CD1 4.17Å; V188-L224 HydrophobicContact CG2-CD1 3.94Å; L216-L224 HydrophobicContact CB-CD2 4.41Å; L216-L224 PolarHBondContact N-O 3.18Å; S217-L224 PolarHBondContact O-N 3.2Å |
| 225 | C | 98.3 | Very high | 97.2 | Very high | 1 Ų | 1 | 57.5 Ų | 57.5 | 1% | 0.007 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 146 | 178.3 | -59.4 | 0 | 0 | 0 | 0 | 110.6 | L186 V187 V189 W197 N214 | L186-C225 CarbonylContact C-O 3.58Å; L186-C225 WeakPolarHBondContact CA-O 3.48Å; V187-C225 PolarHBondContact N-O 3.24Å; V187-C225 PolarHBondContact O-N 3.21Å; V189-C225 HydrophobicContact CG2-CB 4.42Å; W197-C225 HydrophobicContact CZ2-CB 4.14Å; N214-C225 WeakPolarHBondContact O-CA 3.47Å |
| 226 | N | 97.9 | Very high | 97.2 | Very high | 10 Ų | 10 | 57.3 Ų | 57.3 | 5% | 0.053 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 161.8 | 163.1 | 64.1 | -8.5 | 0 | 0 | 0 | 111 | D174 T184 L185 L186 S213 N214 L216 | D174-N226 PolarHBondContact O-ND2 3.09Å; T184-N226 HydrophobicContact CG2-CB 3.78Å; L185-N226 CarbonylContact O-C 3.53Å; L185-N226 WeakPolarHBondContact O-CA 3.43Å; L186-N226 HydrophobicContact CD2-CB 4.19Å; S213-N226 WeakPolarHBondContact CA-O 3.44Å; S213-N226 WeakPolarHBondContact CB-O 3.38Å; S213-N226 PolarHBondContact OG-O 2.87Å; N214-N226 PolarHBondContact N-OD1 3.34Å; N214-N226 PolarHBondContact O-N 3.35Å; N214-N226 VanDerWaalsContact O-N 3.07Å; N214-N226 PolarHBondContact O-OD1 2.92Å; L216-N226 HydrophobicContact CD1-CB 4.11Å; L216-N226 HydrophobicContact CD2-CB 4.43Å; L216-N226 HydrophobicContact CG-CB 4.39Å |
| 227 | V | 98.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 135.7 | 168.7 | 57.1 | 0 | 0 | 0 | 0 | 108.6 | T184 L185 V187 W197 Y201 V208 L229 F237 | T184-V227 CarbonylContact C-O 3.56Å; T184-V227 VanDerWaalsContact CA-O 3.29Å; T184-V227 WeakPolarHBondContact CA-O 3.48Å; L185-V227 HydrophobicContact CB-CG1 3.98Å; L185-V227 PolarHBondContact N-O 2.94Å; L185-V227 PolarHBondContact O-N 3.21Å; V187-V227 HydrophobicContact CG2-CG1 3.83Å; W197-V227 HydrophobicContact CH2-CB 4.25Å; W197-V227 HydrophobicContact CH2-CG1 4.15Å; W197-V227 HydrophobicContact CZ2-CB 4.18Å; W197-V227 HydrophobicContact CZ2-CG1 4.49Å; Y201-V227 HydrophobicContact CD2-CB 4.42Å; Y201-V227 HydrophobicContact CD2-CG2 3.65Å; Y201-V227 HydrophobicContact CE2-CG2 3.89Å; V208-V227 HydrophobicContact CG1-CG2 3.87Å; V227-L229 HydrophobicContact CG1-CD2 4.33Å; V227-F237 HydrophobicContact CB-CZ 4.45Å; V227-F237 HydrophobicContact CG1-CE1 3.77Å; V227-F237 HydrophobicContact CG1-CZ 3.75Å; V227-F237 HydrophobicContact CG2-CE2 4.36Å; V227-F237 HydrophobicContact CG2-CZ 4.13Å |
| 228 | T | 98 | Very high | 97.3 | Very high | 11 Ų | 11 | 57.6 Ų | 57.6 | 7% | 0.067 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 135.1 | 177.3 | -58.7 | 0 | 0 | 0 | 0 | 110.4 | V176 L182 V183 T184 V209 S212 | V176-T228 HydrophobicContact CB-CG2 4.31Å; V176-T228 HydrophobicContact CG2-CG2 3.77Å; L182-T228 HydrophobicContact CB-CG2 4.21Å; L182-T228 HydrophobicContact CD1-CG2 4.48Å; V183-T228 WeakPolarHBondContact O-CA 3.31Å; T184-T228 PolarHBondContact OG1-OG1 2.91Å; V209-T228 VanDerWaalsContact CB-O 3.3Å; V209-T228 WeakPolarHBondContact CB-O 3.43Å; V209-T228 HydrophobicContact CG2-CG2 4.03Å; V209-T228 PolarHBondContact N-O 3.44Å; S212-T228 PolarHBondContact OG-N 3.33Å; S212-T228 PolarHBondContact OG-O 3.3Å |
| 229 | L | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 168.5 | -179.7 | 62.2 | 163.5 | 0 | 0 | 0 | 110.4 | L182 V183 L185 M207 V208 V227 A233 V234 F237 | L182-L229 WeakPolarHBondContact CA-O 3.41Å; V183-L229 PolarHBondContact N-O 3.08Å; V183-L229 PolarHBondContact O-N 3Å; L185-L229 HydrophobicContact CB-CD2 4.43Å; L185-L229 HydrophobicContact CD1-CD1 4.36Å; L185-L229 HydrophobicContact CD1-CD2 3.7Å; L185-L229 HydrophobicContact CG-CD2 3.78Å; M207-L229 WeakPolarHBondContact O-CA 3.36Å; M207-L229 WeakPolarHBondContact O-CB 3.13Å; V208-L229 HydrophobicContact CB-CB 4.47Å; V208-L229 HydrophobicContact CG2-CB 4.22Å; V227-L229 HydrophobicContact CG1-CD2 4.33Å; L229-A233 HydrophobicContact CD1-CB 4.06Å; L229-V234 HydrophobicContact CD1-CG2 4.44Å; L229-F237 HydrophobicContact CD1-CB 3.51Å; L229-F237 HydrophobicContact CD1-CD1 4.32Å; L229-F237 HydrophobicContact CD1-CD2 4.16Å; L229-F237 HydrophobicContact CD1-CG 3.74Å |
| 230 | F | 98 | Very high | 97.4 | Very high | 83 Ų | 83 | 58.9 Ų | 58.9 | 36% | 0.364 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 140 | 173.1 | -74.3 | -110.6 | 0 | 0 | 0 | 110.3 | Y181 L182 M207 K232 A233 | Y181-F230 CarbonylContact O-C 3.5Å; Y181-F230 VanDerWaalsContact O-CA 3.27Å; Y181-F230 WeakPolarHBondContact O-CA 3.38Å; L182-F230 HydrophobicContact CD2-CD1 4.34Å; L182-F230 HydrophobicContact CD2-CD2 3.71Å; L182-F230 HydrophobicContact CD2-CE1 4.37Å; L182-F230 HydrophobicContact CD2-CE2 3.78Å; L182-F230 HydrophobicContact CD2-CG 4.03Å; L182-F230 HydrophobicContact CD2-CZ 4.12Å; M207-F230 HydrophobicContact CB-CB 3.76Å; M207-F230 HydrophobicContact CB-CD2 3.64Å; M207-F230 HydrophobicContact CB-CE2 4.47Å; M207-F230 HydrophobicContact CB-CG 3.89Å; M207-F230 HydrophobicContact CG-CB 4.48Å; M207-F230 HydrophobicContact CG-CD2 4.46Å; M207-F230 HydrophobicContact CG-CG 4.49Å; M207-F230 WeakPolarHBondContact O-CD2 3.34Å; M207-F230 PolarHBondContact O-N 2.87Å; M207-F230 HydrophobicContact SD-CB 4.01Å; M207-F230 HydrophobicContact SD-CG 4.27Å; F230-K232 PolarHBondContact O-N 3.49Å; F230-A233 WeakPolarHBondContact O-CB 3.14Å; F230-A233 PolarHBondContact O-N 3.27Å |
| 231 | R | 95.9 | Very high | 97.6 | Very high | 124 Ų | 124 | 50.9 Ų | 50.9 | 47% | 0.468 | 24% | 0.236 | S | C | . | . | G | 310 helix | trans | -51.5 | -35.3 | 179.3 | -71.8 | 178.9 | -176.1 | -84.6 | 0.2 | 113 | S179 E180 Y181 L182 V183 A233 V234 | S179-R231 PolarHBondContact O-NE 3.48Å; S179-R231 VanDerWaalsContact O-NE 3.12Å; S179-R231 PolarHBondContact O-NH2 3.39Å; E180-R231 WeakPolarHBondContact O-CD 3.36Å; Y181-R231 PolarHBondContact O-N 3.01Å; L182-R231 PolarHBondContact O-NE 3.37Å; V183-R231 HydrophobicContact CB-CG 3.94Å; V183-R231 HydrophobicContact CG1-CG 3.94Å; R231-A233 PolarHBondContact O-N 2.95Å; R231-V234 VanDerWaalsContact O-CG2 3.31Å; R231-V234 WeakPolarHBondContact O-CG2 3.3Å; R231-V234 PolarHBondContact O-N 3.25Å |
| 232 | K | 96.4 | Very high | 97.6 | Very high | 191 Ų | 191 | 55.4 Ų | 55.4 | 83% | 0.83 | 24% | 0.244 | S | C | * | . | G | 310 helix | trans | -63.6 | -22.3 | 177.8 | -67.7 | -175.7 | 178.6 | -179.2 | 0 | 114 | M207 F230 | M207-K232 HydrophobicContact CE-CB 3.97Å; F230-K232 PolarHBondContact O-N 3.49Å |
| 233 | A | 97.1 | Very high | 97.5 | Very high | 4 Ų | 4 | 61.1 Ų | 61.1 | 3% | 0.033 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -97.2 | -0.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | A205 E206 M207 L229 F230 R231 D235 D236 F237 | A205-A233 HydrophobicContact CB-CB 4.37Å; E206-A233 WeakPolarHBondContact O-CB 3.48Å; M207-A233 HydrophobicContact CB-CB 4.24Å; M207-A233 HydrophobicContact CE-CB 3.87Å; L229-A233 HydrophobicContact CD1-CB 4.06Å; F230-A233 WeakPolarHBondContact O-CB 3.14Å; F230-A233 PolarHBondContact O-N 3.27Å; R231-A233 PolarHBondContact O-N 2.95Å; A233-D235 PolarHBondContact O-N 3.47Å; A233-D236 PolarHBondContact O-N 2.86Å; A233-F237 VanDerWaalsContact O-CB 3.23Å; A233-F237 WeakPolarHBondContact O-CB 3.41Å; A233-F237 PolarHBondContact O-N 3.24Å |
| 234 | V | 97 | Very high | 97.4 | Very high | 20 Ų | 20 | 60.9 Ų | 60.9 | 12% | 0.121 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.5 | -45.2 | -173.3 | 170 | 0 | 0 | 0 | 0 | 112.7 | V183 L185 L229 R231 F237 R238 | V183-V234 HydrophobicContact CG1-CG2 3.45Å; V183-V234 VanDerWaalsContact CG1-CG2 3.45Å; L185-V234 HydrophobicContact CD1-CG1 4.23Å; L185-V234 HydrophobicContact CD1-CG2 4.49Å; L185-V234 HydrophobicContact CD2-CG1 4.38Å; L229-V234 HydrophobicContact CD1-CG2 4.44Å; R231-V234 VanDerWaalsContact O-CG2 3.31Å; R231-V234 WeakPolarHBondContact O-CG2 3.3Å; R231-V234 PolarHBondContact O-N 3.25Å; V234-F237 PolarHBondContact O-N 3.46Å; V234-R238 HydrophobicContact CG1-CG 4.4Å; V234-R238 WeakPolarHBondContact O-CB 3.46Å; V234-R238 VanDerWaalsContact O-CG 3.3Å; V234-R238 WeakPolarHBondContact O-CG 3.3Å; V234-R238 PolarHBondContact O-N 2.82Å |
| 235 | D | 97 | Very high | 97.3 | Very high | 124 Ų | 124 | 68.1 Ų | 68.1 | 66% | 0.663 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -71.4 | -41.4 | -176.1 | -67.3 | -30.4 | 0 | 0 | 0 | 112.1 | A233 R238 H239 | A233-D235 PolarHBondContact O-N 3.47Å; D235-R238 PolarHBondContact O-N 3.47Å; D235-H239 WeakPolarHBondContact O-CB 3.48Å; D235-H239 PolarHBondContact O-N 3.19Å |
| 236 | D | 97.7 | Very high | 97.3 | Very high | 64 Ų | 64 | 68.1 Ų | 68.1 | 34% | 0.342 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.8 | -44.3 | 174 | -175.9 | 48.8 | 0 | 0 | 0 | 111 | A205 A233 H239 K240 | A205-D236 WeakPolarHBondContact CA-OD2 3.39Å; A205-D236 HydrophobicContact CB-CB 4.3Å; A205-D236 VanDerWaalsContact CB-OD2 3.3Å; A205-D236 WeakPolarHBondContact CB-OD2 3.33Å; A233-D236 PolarHBondContact O-N 2.86Å; D236-H239 PolarHBondContact O-N 3.44Å; D236-K240 PolarHBondContact O-N 3.49Å; D236-K240 WeakPolarHBondContact OD1-CE 3.4Å; D236-K240 IonicContact OD1-NZ 3.68Å; D236-K240 PolarHBondContact OD1-NZ 2.96Å; D236-K240 IonicContact OD2-NZ 2.71Å; D236-K240 PolarHBondContact OD2-NZ 2.81Å |
| 237 | F | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61.6 | -46.4 | 175.7 | -173.6 | -91.1 | 0 | 0 | 0 | 111.9 | L185 V187 W197 L204 A205 V208 V227 L229 A233 V234 H239 K240 A241 V248 | L185-F237 HydrophobicContact CD1-CD1 3.88Å; L185-F237 HydrophobicContact CD1-CE1 4.41Å; V187-F237 HydrophobicContact CG2-CE1 4.19Å; W197-F237 HydrophobicContact CH2-CE1 4.41Å; W197-F237 AromaticContact CH2-CZ 3.77Å; W197-F237 HydrophobicContact CH2-CZ 3.77Å; W197-F237 HydrophobicContact CZ3-CZ 4.02Å; L204-F237 HydrophobicContact CB-CD2 3.98Å; L204-F237 HydrophobicContact CB-CE2 3.94Å; L204-F237 HydrophobicContact CD1-CD2 4.45Å; L204-F237 HydrophobicContact CD1-CE2 3.79Å; L204-F237 HydrophobicContact CD1-CZ 4.01Å; L204-F237 HydrophobicContact CG-CE2 4.43Å; A205-F237 HydrophobicContact CB-CB 3.85Å; A205-F237 HydrophobicContact CB-CD2 4.13Å; V208-F237 HydrophobicContact CG2-CD2 3.7Å; V208-F237 HydrophobicContact CG2-CE2 3.98Å; V227-F237 HydrophobicContact CB-CZ 4.45Å; V227-F237 HydrophobicContact CG1-CE1 3.77Å; V227-F237 HydrophobicContact CG1-CZ 3.75Å; V227-F237 HydrophobicContact CG2-CE2 4.36Å; V227-F237 HydrophobicContact CG2-CZ 4.13Å; L229-F237 HydrophobicContact CD1-CB 3.51Å; L229-F237 HydrophobicContact CD1-CD1 4.32Å; L229-F237 HydrophobicContact CD1-CD2 4.16Å; L229-F237 HydrophobicContact CD1-CG 3.74Å; A233-F237 VanDerWaalsContact O-CB 3.23Å; A233-F237 WeakPolarHBondContact O-CB 3.41Å; A233-F237 PolarHBondContact O-N 3.24Å; V234-F237 PolarHBondContact O-N 3.46Å; F237-H239 VanDerWaalsContact C-N 3.3Å; F237-H239 PolarHBondContact O-N 2.97Å; F237-K240 PolarHBondContact O-N 3.22Å; F237-A241 HydrophobicContact CD1-CB 4.45Å; F237-A241 HydrophobicContact CE1-CB 4.24Å; F237-A241 WeakPolarHBondContact O-CB 3.1Å; F237-A241 PolarHBondContact O-N 3.38Å; F237-V248 HydrophobicContact CD1-CG2 4.3Å; F237-V248 HydrophobicContact CE1-CG2 4.19Å |
| 238 | R | 97.7 | Very high | 97.3 | Very high | 85 Ų | 85 | 72.9 Ų | 72.9 | 32% | 0.321 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -58.9 | -41.6 | 176.6 | -82.1 | 176.6 | 167.8 | -179.4 | -8.5 | 111.7 | V234 D235 R242 V248 D250 | V234-R238 HydrophobicContact CG1-CG 4.4Å; V234-R238 WeakPolarHBondContact O-CB 3.46Å; V234-R238 VanDerWaalsContact O-CG 3.3Å; V234-R238 WeakPolarHBondContact O-CG 3.3Å; V234-R238 PolarHBondContact O-N 2.82Å; D235-R238 PolarHBondContact O-N 3.47Å; R238-R242 WeakPolarHBondContact O-CB 3.33Å; R238-R242 PolarHBondContact O-N 3.43Å; R238-R242 VanDerWaalsContact O-N 3.16Å; R238-V248 HydrophobicContact CG-CB 4.01Å; R238-V248 HydrophobicContact CG-CG1 3.95Å; R238-V248 HydrophobicContact CG-CG2 4.05Å; R238-D250 IonicContact NH2-OD1 2.73Å; R238-D250 PolarHBondContact NH2-OD1 2.8Å |
| 239 | H | 97.4 | Very high | 97.2 | Very high | 112 Ų | 112 | 75 Ų | 75 | 52% | 0.519 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -62.8 | -53.3 | 178.2 | -175.4 | 67.4 | 0 | 0 | 0 | 111.6 | D235 D236 F237 R242 E243 | D235-H239 WeakPolarHBondContact O-CB 3.48Å; D235-H239 PolarHBondContact O-N 3.19Å; D236-H239 PolarHBondContact O-N 3.44Å; F237-H239 VanDerWaalsContact C-N 3.3Å; F237-H239 PolarHBondContact O-N 2.97Å; H239-R242 WeakPolarHBondContact O-CB 3.32Å; H239-R242 PolarHBondContact O-N 3.01Å; H239-E243 IonicContact NE2-OE1 3.71Å; H239-E243 PolarHBondContact O-N 2.98Å; H239-E243 VanDerWaalsContact O-N 3.14Å |
| 240 | K | 98 | Very high | 97 | Very high | 62 Ų | 62 | 81.5 Ų | 81.5 | 27% | 0.27 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -73 | -31.9 | -177 | -66.3 | 174.4 | 179.8 | 161.3 | 0 | 113.6 | L204 D236 F237 R242 E243 N244 | L204-K240 HydrophobicContact CB-CB 4.34Å; L204-K240 HydrophobicContact CD2-CB 4.29Å; L204-K240 WeakPolarHBondContact O-CD 3.34Å; L204-K240 WeakPolarHBondContact O-CE 3.46Å; L204-K240 PolarHBondContact O-NZ 3.47Å; D236-K240 PolarHBondContact O-N 3.49Å; D236-K240 WeakPolarHBondContact OD1-CE 3.4Å; D236-K240 IonicContact OD1-NZ 3.68Å; D236-K240 PolarHBondContact OD1-NZ 2.96Å; D236-K240 IonicContact OD2-NZ 2.71Å; D236-K240 PolarHBondContact OD2-NZ 2.81Å; F237-K240 PolarHBondContact O-N 3.22Å; K240-R242 VanDerWaalsContact C-N 3.29Å; K240-R242 PolarHBondContact O-N 2.96Å; K240-E243 PolarHBondContact O-N 3.37Å; K240-N244 PolarHBondContact O-N 3.48Å; K240-N244 PolarHBondContact O-ND2 3.17Å |
| 241 | A | 97.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 79.4 Ų | 79.4 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -58.4 | -44.8 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | L204 F237 E243 N244 K245 F246 V248 | L204-A241 HydrophobicContact CD1-CB 4.34Å; F237-A241 HydrophobicContact CD1-CB 4.45Å; F237-A241 HydrophobicContact CE1-CB 4.24Å; F237-A241 WeakPolarHBondContact O-CB 3.1Å; F237-A241 PolarHBondContact O-N 3.38Å; A241-E243 PolarHBondContact O-N 3.2Å; A241-N244 CarbonylContact O-C 3.59Å; A241-N244 PolarHBondContact O-N 3.47Å; A241-N244 VanDerWaalsContact O-N 3.14Å; A241-K245 PolarHBondContact O-N 2.81Å; A241-F246 CarbonylContact C-O 3.57Å; A241-F246 VanDerWaalsContact C-O 3.24Å; A241-F246 HydrophobicContact CB-CB 4.15Å; A241-F246 WeakPolarHBondContact O-CA 3.35Å; A241-F246 WeakPolarHBondContact O-CB 3.23Å; A241-F246 PolarHBondContact O-N 3.43Å; A241-F246 VanDerWaalsContact O-O 3.11Å; A241-V248 HydrophobicContact CB-CG2 3.79Å |
| 242 | R | 96.2 | Very high | 96.5 | Very high | 205 Ų | 205 | 81.3 Ų | 81.3 | 77% | 0.774 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -63.4 | -40.5 | 177.8 | -175.1 | -178.7 | 177.8 | -176.6 | -0.9 | 112.7 | R238 H239 K240 N244 K245 F246 | R238-R242 WeakPolarHBondContact O-CB 3.33Å; R238-R242 PolarHBondContact O-N 3.43Å; R238-R242 VanDerWaalsContact O-N 3.16Å; H239-R242 WeakPolarHBondContact O-CB 3.32Å; H239-R242 PolarHBondContact O-N 3.01Å; K240-R242 VanDerWaalsContact C-N 3.29Å; K240-R242 PolarHBondContact O-N 2.96Å; R242-N244 PolarHBondContact O-N 3.1Å; R242-K245 PolarHBondContact O-N 2.78Å; R242-F246 PolarHBondContact N-O 3.29Å |
| 243 | E | 96.5 | Very high | 96.3 | Very high | 130 Ų | 130 | 73.8 Ų | 73.8 | 61% | 0.607 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -59.9 | -33.9 | 174.6 | -68 | -176.2 | 145.7 | 0 | 0 | 112.3 | H239 K240 A241 K245 | H239-E243 IonicContact NE2-OE1 3.71Å; H239-E243 PolarHBondContact O-N 2.98Å; H239-E243 VanDerWaalsContact O-N 3.14Å; K240-E243 PolarHBondContact O-N 3.37Å; A241-E243 PolarHBondContact O-N 3.2Å; E243-K245 VanDerWaalsContact C-N 3.27Å; E243-K245 PolarHBondContact O-N 2.64Å |
| 244 | N | 96.1 | Very high | 96 | Very high | 53 Ų | 53 | 76.5 Ų | 76.5 | 28% | 0.283 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | 12.9 | 176.1 | -72.5 | -84.3 | 0 | 0 | 0 | 113.7 | Q200 K240 A241 R242 F246 | Q200-N244 PolarHBondContact NE2-OD1 3.15Å; K240-N244 PolarHBondContact O-N 3.48Å; K240-N244 PolarHBondContact O-ND2 3.17Å; A241-N244 CarbonylContact O-C 3.59Å; A241-N244 PolarHBondContact O-N 3.47Å; A241-N244 VanDerWaalsContact O-N 3.14Å; R242-N244 PolarHBondContact O-N 3.1Å; N244-F246 HydrophobicContact CB-CD2 3.62Å; N244-F246 HydrophobicContact CB-CE2 3.49Å; N244-F246 VanDerWaalsContact CB-CE2 3.49Å; N244-F246 HydrophobicContact CB-CG 4.35Å; N244-F246 HydrophobicContact CB-CZ 4.11Å; N244-F246 PolarHBondContact O-N 2.87Å |
| 245 | K | 96.1 | Very high | 95.6 | Very high | 151 Ų | 151 | 80.1 Ų | 80.1 | 66% | 0.657 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.8 | 21.9 | -179 | -52.2 | 177.9 | -179.7 | 176.3 | 0 | 114.3 | A241 R242 E243 | A241-K245 PolarHBondContact O-N 2.81Å; R242-K245 PolarHBondContact O-N 2.78Å; E243-K245 VanDerWaalsContact C-N 3.27Å; E243-K245 PolarHBondContact O-N 2.64Å |
| 246 | F | 98 | Very high | 95.3 | Very high | 2 Ų | 2 | 81.9 Ų | 81.9 | 1% | 0.009 | 38% | 0.376 | C | S | . | . | trans | -91 | 129.2 | 169 | -49 | -44.2 | 0 | 0 | 0 | 109.2 | V187 V189 N193 D196 W197 Q200 L204 A241 R242 N244 | V187-F246 HydrophobicContact CG1-CB 3.72Å; V189-F246 HydrophobicContact CB-CD1 4.44Å; V189-F246 HydrophobicContact CG1-CD1 3.95Å; V189-F246 HydrophobicContact CG1-CE1 3.93Å; V189-F246 HydrophobicContact CG2-CD1 4.21Å; N193-F246 HydrophobicContact CB-CE1 3.89Å; D196-F246 HydrophobicContact CB-CZ 4.25Å; W197-F246 HydrophobicContact CB-CE1 4.03Å; W197-F246 HydrophobicContact CB-CE2 4.48Å; W197-F246 HydrophobicContact CB-CZ 3.9Å; W197-F246 HydrophobicContact CE3-CB 4.42Å; W197-F246 HydrophobicContact CE3-CD1 4.31Å; W197-F246 AromaticContact CE3-CD2 3.56Å; W197-F246 HydrophobicContact CE3-CD2 3.56Å; W197-F246 HydrophobicContact CE3-CE1 4.48Å; W197-F246 AromaticContact CE3-CE2 3.76Å; W197-F246 HydrophobicContact CE3-CE2 3.76Å; W197-F246 AromaticContact CE3-CG 3.86Å; W197-F246 HydrophobicContact CE3-CG 3.86Å; W197-F246 HydrophobicContact CE3-CZ 4.24Å; W197-F246 HydrophobicContact CZ3-CB 4.39Å; W197-F246 AromaticContact CZ3-CD2 3.94Å; W197-F246 HydrophobicContact CZ3-CD2 3.94Å; W197-F246 HydrophobicContact CZ3-CE2 4.49Å; W197-F246 HydrophobicContact CZ3-CG 4.26Å; Q200-F246 HydrophobicContact CG-CE2 4.37Å; L204-F246 HydrophobicContact CD1-CD2 4.21Å; L204-F246 HydrophobicContact CD1-CE2 4.46Å; A241-F246 CarbonylContact C-O 3.57Å; A241-F246 VanDerWaalsContact C-O 3.24Å; A241-F246 HydrophobicContact CB-CB 4.15Å; A241-F246 WeakPolarHBondContact O-CA 3.35Å; A241-F246 WeakPolarHBondContact O-CB 3.23Å; A241-F246 PolarHBondContact O-N 3.43Å; A241-F246 VanDerWaalsContact O-O 3.11Å; R242-F246 PolarHBondContact N-O 3.29Å; N244-F246 HydrophobicContact CB-CD2 3.62Å; N244-F246 HydrophobicContact CB-CE2 3.49Å; N244-F246 VanDerWaalsContact CB-CE2 3.49Å; N244-F246 HydrophobicContact CB-CG 4.35Å; N244-F246 HydrophobicContact CB-CZ 4.11Å; N244-F246 PolarHBondContact O-N 2.87Å | ||
| 247 | I | 97.6 | Very high | 94.9 | Very high | 84 Ų | 84 | 84.2 Ų | 84.2 | 43% | 0.431 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 104.2 | -173.6 | -63.2 | 172.8 | 0 | 0 | 0 | 108.8 | L162 V187 V188 R249 | L162-I247 HydrophobicContact CD1-CD1 4.39Å; L162-I247 HydrophobicContact CD2-CB 3.88Å; L162-I247 HydrophobicContact CD2-CD1 3.48Å; L162-I247 VanDerWaalsContact CD2-CD1 3.48Å; L162-I247 HydrophobicContact CD2-CG1 4.23Å; L162-I247 HydrophobicContact CD2-CG2 3.9Å; V187-I247 WeakPolarHBondContact CA-O 3.46Å; V188-I247 HydrophobicContact CB-CB 4.42Å; V188-I247 PolarHBondContact N-O 3.47Å; V188-I247 PolarHBondContact O-N 2.61Å; I247-R249 PolarHBondContact O-N 3.45Å |
| 248 | V | 97.9 | Very high | 94.4 | Very high | 26 Ų | 26 | 85.8 Ų | 85.8 | 16% | 0.158 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 121.8 | 171.8 | -174.5 | 0 | 0 | 0 | 0 | 108.9 | L185 L186 V187 F237 R238 A241 | L185-V248 HydrophobicContact CB-CG1 4.11Å; L185-V248 HydrophobicContact CD1-CG1 4.03Å; L185-V248 HydrophobicContact CG-CG1 4.46Å; L186-V248 CarbonylContact O-C 3.55Å; L186-V248 WeakPolarHBondContact O-CA 3.47Å; V187-V248 HydrophobicContact CG2-CG2 4.12Å; F237-V248 HydrophobicContact CD1-CG2 4.3Å; F237-V248 HydrophobicContact CE1-CG2 4.19Å; R238-V248 HydrophobicContact CG-CB 4.01Å; R238-V248 HydrophobicContact CG-CG1 3.95Å; R238-V248 HydrophobicContact CG-CG2 4.05Å; A241-V248 HydrophobicContact CB-CG2 3.79Å |
| 249 | R | 97 | Very high | 94 | Very high | 55 Ų | 55 | 87.9 Ų | 87.9 | 21% | 0.208 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 137.5 | 177.3 | -67.2 | -75 | -68.6 | 137 | -0.3 | 109.5 | L161 L162 R164 L166 L186 V188 I247 F251 | L161-R249 PolarHBondContact O-NE 2.96Å; L161-R249 VanDerWaalsContact O-NE 3.15Å; L162-R249 PolarHBondContact O-NE 3.37Å; L162-R249 PolarHBondContact O-NH1 3.46Å; R164-R249 PolarHBondContact O-NH2 3.41Å; L166-R249 HydrophobicContact CD1-CB 3.69Å; L166-R249 HydrophobicContact CD1-CG 3.81Å; L186-R249 HydrophobicContact CB-CB 4.35Å; L186-R249 PolarHBondContact O-N 2.91Å; V188-R249 HydrophobicContact CG2-CG 3.59Å; I247-R249 PolarHBondContact O-N 3.45Å; R249-F251 VanDerWaalsContact C-N 3.34Å; R249-F251 PolarHBondContact O-N 2.94Å; R249-F251 VanDerWaalsContact O-N 3.09Å |
| 250 | D | 93 | Very high | 93.6 | Very high | 137 Ų | 137 | 85 Ų | 85 | 73% | 0.733 | 40% | 0.399 | S | S | * | . | trans | -80.7 | 88.8 | 171.9 | -160.8 | 32.9 | 0 | 0 | 0 | 108.4 | R238 | R238-D250 IonicContact NH2-OD1 2.73Å; R238-D250 PolarHBondContact NH2-OD1 2.8Å | ||
| 251 | F | 94.1 | Very high | 93.2 | Very high | 38 Ų | 38 | 85.2 Ų | 85.2 | 17% | 0.167 | 40% | 0.404 | C | S | . | . | trans | -139.5 | 129.8 | -176.8 | -178.9 | -89.7 | 0 | 0 | 0 | 109.3 | L166 A167 V170 F175 L186 R249 Y253 M258 | L166-F251 HydrophobicContact CB-CD2 3.85Å; L166-F251 HydrophobicContact CB-CE2 3.97Å; L166-F251 HydrophobicContact CB-CG 4.31Å; L166-F251 HydrophobicContact CD1-CB 4.23Å; L166-F251 HydrophobicContact CD1-CG 4.4Å; A167-F251 HydrophobicContact CB-CE2 4.38Å; V170-F251 HydrophobicContact CG2-CE1 3.75Å; V170-F251 HydrophobicContact CG2-CZ 3.74Å; F175-F251 HydrophobicContact CE1-CD1 4.02Å; F175-F251 HydrophobicContact CE1-CE1 4.04Å; F175-F251 HydrophobicContact CE2-CE1 4.37Å; F175-F251 AromaticContact CZ-CD1 3.91Å; F175-F251 HydrophobicContact CZ-CD1 3.91Å; F175-F251 AromaticContact CZ-CE1 3.56Å; F175-F251 HydrophobicContact CZ-CE1 3.56Å; L186-F251 HydrophobicContact CD1-CB 4.01Å; L186-F251 HydrophobicContact CD1-CD1 3.43Å; L186-F251 VanDerWaalsContact CD1-CD1 3.43Å; L186-F251 HydrophobicContact CD1-CE1 4.06Å; L186-F251 HydrophobicContact CD1-CG 3.78Å; L186-F251 HydrophobicContact CG-CD1 4.28Å; R249-F251 VanDerWaalsContact C-N 3.34Å; R249-F251 PolarHBondContact O-N 2.94Å; R249-F251 VanDerWaalsContact O-N 3.09Å; F251-Y253 HydrophobicContact CE1-CD2 4.41Å; F251-M258 HydrophobicContact CZ-SD 4.07Å | ||
| 252 | Q | 90 | Very high | 92.8 | Very high | 165 Ų | 165 | 91.2 Ų | 91.2 | 77% | 0.771 | 43% | 0.43 | S | S | * | . | trans | -118.1 | 124.8 | 172 | -175.3 | 171.5 | 9.9 | 0 | 0 | 108.1 | N254 | Q252-N254 PolarHBondContact O-N 3.33Š| ||
| 253 | Y | 91.9 | Very high | 92.6 | Very high | 32 Ų | 32 | 86.8 Ų | 86.8 | 13% | 0.125 | 42% | 0.418 | C | S | . | . | trans | -67.1 | 120.4 | 176.6 | -174.1 | -91.2 | 0 | 0 | 0 | 109.9 | V170 K172 F175 L177 F251 E255 M258 | V170-Y253 HydrophobicContact CG2-CD2 4.17Å; V170-Y253 HydrophobicContact CG2-CE2 4.5Å; K172-Y253 VanDerWaalsContact CA-CZ 3.48Å; K172-Y253 WeakPolarHBondContact CA-OH 3.47Å; K172-Y253 HydrophobicContact CB-CE1 4.16Å; K172-Y253 WeakPolarHBondContact CB-OH 3.48Å; K172-Y253 HydrophobicContact CG-CE1 3.98Å; K172-Y253 PolarHBondContact N-OH 2.67Å; F175-Y253 AromaticContact CD2-CD2 3.54Å; F175-Y253 HydrophobicContact CD2-CD2 3.54Å; F175-Y253 HydrophobicContact CD2-CE2 4.3Å; F175-Y253 AromaticContact CD2-CG 3.72Å; F175-Y253 HydrophobicContact CD2-CG 3.72Å; F175-Y253 AromaticContact CE2-CD2 3.37Å; F175-Y253 HydrophobicContact CE2-CD2 3.37Å; F175-Y253 HydrophobicContact CE2-CE2 4.2Å; F175-Y253 AromaticContact CE2-CG 3.91Å; F175-Y253 HydrophobicContact CE2-CG 3.91Å; F175-Y253 HydrophobicContact CG-CD2 4.38Å; F175-Y253 HydrophobicContact CG-CG 4.14Å; F175-Y253 HydrophobicContact CZ-CD2 4.09Å; F175-Y253 HydrophobicContact CZ-CG 4.47Å; L177-Y253 HydrophobicContact CD1-CD1 3.86Å; L177-Y253 HydrophobicContact CD1-CE1 3.97Å; L177-Y253 HydrophobicContact CD2-CD1 3.8Å; L177-Y253 HydrophobicContact CD2-CG 4.33Å; L177-Y253 HydrophobicContact CG-CD1 4.48Å; F251-Y253 HydrophobicContact CE1-CD2 4.41Å; Y253-E255 HydrophobicContact CE1-CB 3.89Å; Y253-M258 HydrophobicContact CD2-CE 4.31Å; Y253-M258 HydrophobicContact CD2-SD 3.73Å; Y253-M258 HydrophobicContact CE2-CE 3.76Å; Y253-M258 HydrophobicContact CE2-SD 3.65Å; Y253-M258 HydrophobicContact CG-SD 4.46Å | ||
| 254 | N | 91.1 | Very high | 92.3 | Very high | 62 Ų | 62 | 83.2 Ų | 83.2 | 33% | 0.332 | 40% | 0.401 | S | S | . | . | trans | -135.1 | 101.3 | 176 | -177.8 | -13.1 | 0 | 0 | 0 | 108.8 | Q252 E256 E257 M258 | Q252-N254 PolarHBondContact O-N 3.33Å; N254-E256 VanDerWaalsContact C-N 3.27Å; N254-E256 PolarHBondContact O-N 3.42Å; N254-E256 PolarHBondContact OD1-N 2.96Å; N254-E257 HydrophobicContact CB-CB 3.96Å; N254-E257 WeakPolarHBondContact ND2-CB 3.32Å; N254-E257 PolarHBondContact ND2-OE2 3.37Å; N254-E257 PolarHBondContact O-N 2.88Å; N254-E257 PolarHBondContact OD1-N 3.16Å; N254-M258 WeakPolarHBondContact O-CB 3.49Å; N254-M258 WeakPolarHBondContact O-CG 3.49Å; N254-M258 PolarHBondContact O-N 3.14Å | ||
| 255 | E | 89.1 | Confident | 92.1 | Very high | 95 Ų | 95 | 82.6 Ų | 82.6 | 44% | 0.444 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -60.8 | -36.1 | -175.4 | -169.6 | 165.9 | -162 | 0 | 0 | 112.6 | K172 Y253 K259 | K172-E255 IonicContact NZ-OE2 2.75Å; K172-E255 PolarHBondContact NZ-OE2 3.47Å; Y253-E255 HydrophobicContact CE1-CB 3.89Å; E255-K259 WeakPolarHBondContact O-CB 3.25Å; E255-K259 PolarHBondContact O-N 2.93Å |
| 256 | E | 90 | Very high | 92 | Very high | 162 Ų | 162 | 79.4 Ų | 79.4 | 76% | 0.757 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -70.4 | -46.5 | -179.4 | -63.7 | -173.5 | 165.8 | 0 | 0 | 111.7 | N254 K259 A260 | N254-E256 VanDerWaalsContact C-N 3.27Å; N254-E256 PolarHBondContact O-N 3.42Å; N254-E256 PolarHBondContact OD1-N 2.96Å; E256-K259 PolarHBondContact O-N 3.49Å; E256-A260 WeakPolarHBondContact O-CB 3.35Å; E256-A260 PolarHBondContact O-N 3.37Å |
| 257 | E | 88.2 | Confident | 91.8 | Very high | 113 Ų | 113 | 85.9 Ų | 85.9 | 53% | 0.528 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -64.6 | -44.4 | 178.1 | -175.9 | 177 | 179.7 | 0 | 0 | 111.4 | N254 K259 A260 D261 | N254-E257 HydrophobicContact CB-CB 3.96Å; N254-E257 WeakPolarHBondContact ND2-CB 3.32Å; N254-E257 PolarHBondContact ND2-OE2 3.37Å; N254-E257 PolarHBondContact O-N 2.88Å; N254-E257 PolarHBondContact OD1-N 3.16Å; E257-K259 VanDerWaalsContact C-N 3.32Å; E257-K259 PolarHBondContact O-N 3.07Å; E257-A260 PolarHBondContact O-N 3.39Å; E257-D261 PolarHBondContact O-N 2.91Å |
| 258 | M | 88.2 | Confident | 91.7 | Very high | 33 Ų | 33 | 82.5 Ų | 82.5 | 16% | 0.163 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -62.7 | -40 | 177.5 | -69.7 | 175.6 | 48.3 | 0 | 0 | 112.1 | A167 F251 Y253 N254 K262 | A167-M258 HydrophobicContact CB-CE 4.16Å; A167-M258 HydrophobicContact CB-CG 3.76Å; A167-M258 HydrophobicContact CB-SD 4.26Å; A167-M258 WeakPolarHBondContact O-CE 3.34Å; F251-M258 HydrophobicContact CZ-SD 4.07Å; Y253-M258 HydrophobicContact CD2-CE 4.31Å; Y253-M258 HydrophobicContact CD2-SD 3.73Å; Y253-M258 HydrophobicContact CE2-CE 3.76Å; Y253-M258 HydrophobicContact CE2-SD 3.65Å; Y253-M258 HydrophobicContact CG-SD 4.46Å; N254-M258 WeakPolarHBondContact O-CB 3.49Å; N254-M258 WeakPolarHBondContact O-CG 3.49Å; N254-M258 PolarHBondContact O-N 3.14Å; M258-K262 WeakPolarHBondContact O-CB 3.44Å; M258-K262 PolarHBondContact O-N 2.86Å |
| 259 | K | 90.3 | Very high | 91.5 | Very high | 129 Ų | 129 | 83 Ų | 83 | 56% | 0.561 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -66.4 | -44.3 | 175 | -177 | 179.5 | 171.5 | -174.3 | 0 | 111.1 | E255 E256 E257 K262 E263 | E255-K259 WeakPolarHBondContact O-CB 3.25Å; E255-K259 PolarHBondContact O-N 2.93Å; E256-K259 PolarHBondContact O-N 3.49Å; E257-K259 VanDerWaalsContact C-N 3.32Å; E257-K259 PolarHBondContact O-N 3.07Å; K259-K262 PolarHBondContact O-N 2.92Å; K259-E263 WeakPolarHBondContact CE-OE1 3.32Å; K259-E263 HydrophobicContact CG-CG 4.43Å; K259-E263 IonicContact NZ-OE1 3.98Å; K259-E263 WeakPolarHBondContact O-CB 3.18Å; K259-E263 WeakPolarHBondContact O-CG 3.41Å; K259-E263 PolarHBondContact O-N 3.42Å |
| 260 | A | 89.6 | Confident | 91.5 | Very high | 50 Ų | 50 | 83.4 Ų | 83.4 | 41% | 0.413 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -61.2 | -45.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | E256 E257 K262 E263 E264 | E256-A260 WeakPolarHBondContact O-CB 3.35Å; E256-A260 PolarHBondContact O-N 3.37Å; E257-A260 PolarHBondContact O-N 3.39Å; A260-K262 VanDerWaalsContact C-N 3.34Å; A260-K262 PolarHBondContact O-N 3.33Å; A260-E263 PolarHBondContact O-N 2.81Å; A260-E264 WeakPolarHBondContact O-CB 3.49Å; A260-E264 PolarHBondContact O-N 3.44Å |
| 261 | D | 87.8 | Confident | 91.6 | Very high | 67 Ų | 67 | 79.6 Ų | 79.6 | 36% | 0.358 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -61 | -42.4 | 176.7 | -87.4 | -3.3 | 0 | 0 | 0 | 112 | E257 E264 M265 | E257-D261 PolarHBondContact O-N 2.91Å; D261-E264 PolarHBondContact O-N 3.35Å; D261-M265 WeakPolarHBondContact O-CB 3.46Å; D261-M265 PolarHBondContact O-N 3.43Å |
| 262 | K | 89.1 | Confident | 91.7 | Very high | 127 Ų | 127 | 80.6 Ų | 80.6 | 55% | 0.552 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -67.5 | -42.2 | 177.7 | -174.9 | 174.4 | -177.7 | 174.4 | 0 | 112.1 | M258 K259 A260 E264 N266 | M258-K262 WeakPolarHBondContact O-CB 3.44Å; M258-K262 PolarHBondContact O-N 2.86Å; K259-K262 PolarHBondContact O-N 2.92Å; A260-K262 VanDerWaalsContact C-N 3.34Å; A260-K262 PolarHBondContact O-N 3.33Å; K262-E264 VanDerWaalsContact C-N 3.33Å; K262-N266 WeakPolarHBondContact O-CB 3.46Å; K262-N266 VanDerWaalsContact O-CG 3.26Å; K262-N266 PolarHBondContact O-N 3.07Å; K262-N266 PolarHBondContact O-ND2 3.01Å; K262-N266 VanDerWaalsContact O-ND2 3.1Å |
| 263 | E | 92.3 | Very high | 91.9 | Very high | 111 Ų | 111 | 80.3 Ų | 80.3 | 52% | 0.519 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -62.2 | -42.2 | 174.5 | -75.9 | 178.3 | 178.8 | 0 | 0 | 111.1 | K259 A260 N266 R267 | K259-E263 WeakPolarHBondContact CE-OE1 3.32Å; K259-E263 HydrophobicContact CG-CG 4.43Å; K259-E263 IonicContact NZ-OE1 3.98Å; K259-E263 WeakPolarHBondContact O-CB 3.18Å; K259-E263 WeakPolarHBondContact O-CG 3.41Å; K259-E263 PolarHBondContact O-N 3.42Å; A260-E263 PolarHBondContact O-N 2.81Å; E263-N266 PolarHBondContact O-N 3.41Å; E263-R267 VanDerWaalsContact O-CB 3.31Å; E263-R267 WeakPolarHBondContact O-CB 3.45Å; E263-R267 PolarHBondContact O-N 2.98Å |
| 264 | E | 91.7 | Very high | 92.1 | Very high | 55 Ų | 55 | 85.2 Ų | 85.2 | 26% | 0.257 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -63.1 | -47.9 | 176.9 | -176.2 | 58.9 | -160.8 | 0 | 0 | 112 | L153 A260 D261 K262 N266 R267 L268 | L153-E264 HydrophobicContact CD1-CG 4.09Å; A260-E264 WeakPolarHBondContact O-CB 3.49Å; A260-E264 PolarHBondContact O-N 3.44Å; D261-E264 PolarHBondContact O-N 3.35Å; K262-E264 VanDerWaalsContact C-N 3.33Å; E264-N266 VanDerWaalsContact C-N 3.33Å; E264-N266 PolarHBondContact O-N 3.21Å; E264-R267 WeakPolarHBondContact O-CB 3.31Å; E264-R267 PolarHBondContact O-N 3.47Å; E264-R267 IonicContact OE1-CZ 2.72Å; E264-R267 IonicContact OE1-NE 2.88Å; E264-R267 IonicContact OE1-NH2 2.99Å; E264-R267 PolarHBondContact OE1-NH2 3.45Å; E264-R267 IonicContact OE2-CZ 2.75Å; E264-R267 IonicContact OE2-NE 3.25Å; E264-R267 PolarHBondContact OE2-NE 3.13Å; E264-R267 IonicContact OE2-NH1 3.04Å; E264-R267 IonicContact OE2-NH2 2.76Å; E264-R267 PolarHBondContact OE2-NH2 3.03Å; E264-L268 HydrophobicContact CG-CD1 4.02Å; E264-L268 HydrophobicContact CG-CG 4.42Å; E264-L268 WeakPolarHBondContact O-CG 3.25Å; E264-L268 PolarHBondContact O-N 3.49Å; E264-L268 WeakPolarHBondContact OE1-CG 3.42Å |
| 265 | M | 90.7 | Very high | 92.3 | Very high | 40 Ų | 40 | 87.3 Ų | 87.3 | 20% | 0.197 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -59.5 | -44.5 | 177 | -177.3 | 177.1 | 60.3 | 0 | 0 | 111.6 | L150 L153 E168 D261 R267 L268 S269 | L150-M265 HydrophobicContact CD1-CG 4.19Å; L153-M265 HydrophobicContact CD1-CB 4.18Å; E168-M265 WeakPolarHBondContact OE1-CE 3.32Å; D261-M265 WeakPolarHBondContact O-CB 3.46Å; D261-M265 PolarHBondContact O-N 3.43Å; M265-R267 VanDerWaalsContact C-N 3.35Å; M265-L268 PolarHBondContact O-N 3.5Å; M265-S269 VanDerWaalsContact O-CB 3.27Å; M265-S269 WeakPolarHBondContact O-CB 3.07Å; M265-S269 PolarHBondContact O-N 3.29Å |
| 266 | N | 93.4 | Very high | 92.7 | Very high | 84 Ų | 84 | 86.6 Ų | 86.6 | 45% | 0.449 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -64.1 | -40.3 | 177.2 | -74.8 | -31.9 | 0 | 0 | 0 | 112 | K262 E263 E264 T270 | K262-N266 WeakPolarHBondContact O-CB 3.46Å; K262-N266 VanDerWaalsContact O-CG 3.26Å; K262-N266 PolarHBondContact O-N 3.07Å; K262-N266 PolarHBondContact O-ND2 3.01Å; K262-N266 VanDerWaalsContact O-ND2 3.1Å; E263-N266 PolarHBondContact O-N 3.41Å; E264-N266 VanDerWaalsContact C-N 3.33Å; E264-N266 PolarHBondContact O-N 3.21Å; N266-T270 VanDerWaalsContact O-CB 3.28Å; N266-T270 WeakPolarHBondContact O-CB 3.37Å; N266-T270 PolarHBondContact O-N 3.35Å; N266-T270 PolarHBondContact O-OG1 3.47Å |
| 267 | R | 95.1 | Very high | 92.9 | Very high | 139 Ų | 139 | 80.4 Ų | 80.4 | 53% | 0.525 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -60.8 | -54.1 | 175.3 | -176.1 | -179.4 | 75.8 | 166.5 | 7.6 | 110.8 | E263 E264 M265 S269 T270 D271 | E263-R267 VanDerWaalsContact O-CB 3.31Å; E263-R267 WeakPolarHBondContact O-CB 3.45Å; E263-R267 PolarHBondContact O-N 2.98Å; E264-R267 WeakPolarHBondContact O-CB 3.31Å; E264-R267 PolarHBondContact O-N 3.47Å; E264-R267 IonicContact OE1-CZ 2.72Å; E264-R267 IonicContact OE1-NE 2.88Å; E264-R267 IonicContact OE1-NH2 2.99Å; E264-R267 PolarHBondContact OE1-NH2 3.45Å; E264-R267 IonicContact OE2-CZ 2.75Å; E264-R267 IonicContact OE2-NE 3.25Å; E264-R267 PolarHBondContact OE2-NE 3.13Å; E264-R267 IonicContact OE2-NH1 3.04Å; E264-R267 IonicContact OE2-NH2 2.76Å; E264-R267 PolarHBondContact OE2-NH2 3.03Å; M265-R267 VanDerWaalsContact C-N 3.35Å; R267-S269 VanDerWaalsContact C-N 3.35Å; R267-S269 PolarHBondContact O-N 2.92Å; R267-T270 WeakPolarHBondContact O-CB 3.47Å; R267-T270 PolarHBondContact O-N 2.94Å; R267-D271 WeakPolarHBondContact O-CB 3.39Å; R267-D271 PolarHBondContact O-N 3.11Å |
| 268 | L | 94.7 | Very high | 93.4 | Very high | 13 Ų | 13 | 77.9 Ų | 77.9 | 7% | 0.068 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -62 | -40.4 | -179.4 | -66.9 | 173.4 | 0 | 0 | 0 | 112.2 | L146 N149 L150 L153 E264 M265 D271 K272 | L146-L268 HydrophobicContact CD1-CB 4.11Å; L146-L268 HydrophobicContact CD1-CD2 3.52Å; L146-L268 HydrophobicContact CD1-CG 4.42Å; N149-L268 HydrophobicContact CB-CD1 4.01Å; L150-L268 HydrophobicContact CD1-CB 4.18Å; L153-L268 HydrophobicContact CD1-CD1 3.65Å; E264-L268 HydrophobicContact CG-CD1 4.02Å; E264-L268 HydrophobicContact CG-CG 4.42Å; E264-L268 WeakPolarHBondContact O-CG 3.25Å; E264-L268 PolarHBondContact O-N 3.49Å; E264-L268 WeakPolarHBondContact OE1-CG 3.42Å; M265-L268 PolarHBondContact O-N 3.5Å; L268-D271 PolarHBondContact O-N 3.24Å; L268-K272 WeakPolarHBondContact O-CB 3.49Å; L268-K272 PolarHBondContact O-N 3.32Å |
| 269 | S | 94.6 | Very high | 93.8 | Very high | 36 Ų | 36 | 76.8 Ų | 76.8 | 25% | 0.252 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -64 | -42.8 | 175.6 | -174.5 | 0 | 0 | 0 | 0 | 112 | M265 R267 K272 K273 | M265-S269 VanDerWaalsContact O-CB 3.27Å; M265-S269 WeakPolarHBondContact O-CB 3.07Å; M265-S269 PolarHBondContact O-N 3.29Å; R267-S269 VanDerWaalsContact C-N 3.35Å; R267-S269 PolarHBondContact O-N 2.92Å; S269-K272 PolarHBondContact O-N 2.91Å; S269-K273 WeakPolarHBondContact O-CG 3.28Å; S269-K273 PolarHBondContact O-N 3.31Å; S269-K273 VanDerWaalsContact O-N 3.13Å |
| 270 | T | 96.1 | Very high | 94.1 | Very high | 64 Ų | 64 | 71.6 Ų | 71.6 | 39% | 0.393 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -64.3 | -45.3 | 176.1 | -61.9 | 0 | 0 | 0 | 0 | 111.2 | N266 R267 K273 K274 | N266-T270 VanDerWaalsContact O-CB 3.28Å; N266-T270 WeakPolarHBondContact O-CB 3.37Å; N266-T270 PolarHBondContact O-N 3.35Å; N266-T270 PolarHBondContact O-OG1 3.47Å; R267-T270 WeakPolarHBondContact O-CB 3.47Å; R267-T270 PolarHBondContact O-N 2.94Å; T270-K273 PolarHBondContact O-N 3.19Å; T270-K274 HydrophobicContact CG2-CD 4.02Å; T270-K274 HydrophobicContact CG2-CG 4.43Å; T270-K274 WeakPolarHBondContact O-CB 3.41Å; T270-K274 WeakPolarHBondContact O-CG 3.42Å; T270-K274 PolarHBondContact O-N 3.05Å |
| 271 | D | 95.8 | Very high | 94.5 | Very high | 57 Ų | 57 | 77.4 Ų | 77.4 | 31% | 0.305 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -65.3 | -40 | 178.9 | -72.2 | -13.1 | 0 | 0 | 0 | 111.1 | L146 R267 L268 K273 K274 Q275 | L146-D271 HydrophobicContact CD1-CB 4.16Å; L146-D271 HydrophobicContact CD2-CB 4.12Å; R267-D271 WeakPolarHBondContact O-CB 3.39Å; R267-D271 PolarHBondContact O-N 3.11Å; L268-D271 PolarHBondContact O-N 3.24Å; D271-K273 VanDerWaalsContact C-N 3.32Å; D271-K273 PolarHBondContact O-N 3.4Å; D271-K274 PolarHBondContact O-N 3.46Å; D271-Q275 WeakPolarHBondContact O-CB 3.5Å; D271-Q275 VanDerWaalsContact O-CG 3.25Å; D271-Q275 WeakPolarHBondContact O-CG 3.37Å; D271-Q275 PolarHBondContact O-N 3.15Å |
| 272 | K | 95.1 | Very high | 95 | Very high | 58 Ų | 58 | 75.9 Ų | 75.9 | 25% | 0.252 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -58.7 | -46.3 | 176 | -177.5 | -178 | 174.1 | -174.2 | 0 | 110.7 | Y143 L146 L150 L268 S269 Q275 F276 | Y143-K272 HydrophobicContact CE2-CG 4.31Å; L146-K272 HydrophobicContact CD2-CB 4.1Å; L146-K272 HydrophobicContact CG-CB 4.17Å; L150-K272 HydrophobicContact CD2-CD 3.68Å; L268-K272 WeakPolarHBondContact O-CB 3.49Å; L268-K272 PolarHBondContact O-N 3.32Å; S269-K272 PolarHBondContact O-N 2.91Å; K272-Q275 PolarHBondContact O-N 2.89Å; K272-F276 WeakPolarHBondContact O-CB 3.46Å; K272-F276 PolarHBondContact O-N 2.96Å; K272-F276 VanDerWaalsContact O-N 3.07Å |
| 273 | K | 94.6 | Very high | 95.5 | Very high | 160 Ų | 160 | 69.8 Ų | 69.8 | 70% | 0.696 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -63.4 | -43.1 | 176.5 | -71 | 175.9 | -176.2 | 177.5 | 0 | 111.9 | S269 T270 D271 | S269-K273 WeakPolarHBondContact O-CG 3.28Å; S269-K273 PolarHBondContact O-N 3.31Å; S269-K273 VanDerWaalsContact O-N 3.13Å; T270-K273 PolarHBondContact O-N 3.19Å; D271-K273 VanDerWaalsContact C-N 3.32Å; D271-K273 PolarHBondContact O-N 3.4Å |
| 274 | K | 96.3 | Very high | 95.7 | Very high | 135 Ų | 135 | 68.7 Ų | 68.7 | 59% | 0.587 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -64.9 | -38.6 | 178.4 | -76.2 | 175.4 | 179.4 | 171.5 | 0 | 112.8 | T270 D271 P278 | T270-K274 HydrophobicContact CG2-CD 4.02Å; T270-K274 HydrophobicContact CG2-CG 4.43Å; T270-K274 WeakPolarHBondContact O-CB 3.41Å; T270-K274 WeakPolarHBondContact O-CG 3.42Å; T270-K274 PolarHBondContact O-N 3.05Å; D271-K274 PolarHBondContact O-N 3.46Å; K274-P278 WeakPolarHBondContact O-CD 3.35Å; K274-P278 WeakPolarHBondContact O-CG 3.46Å |
| 275 | Q | 95.8 | Very high | 96.1 | Very high | 106 Ų | 106 | 69.9 Ų | 69.9 | 50% | 0.495 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -80.7 | -27.1 | -177.2 | -66.2 | -64.5 | -5.9 | 0 | 0 | 113.3 | Y143 L146 D271 K272 G277 P278 L279 | Y143-Q275 HydrophobicContact CD2-CB 4.07Å; Y143-Q275 HydrophobicContact CE2-CB 4.28Å; L146-Q275 HydrophobicContact CD2-CG 4.29Å; D271-Q275 WeakPolarHBondContact O-CB 3.5Å; D271-Q275 VanDerWaalsContact O-CG 3.25Å; D271-Q275 WeakPolarHBondContact O-CG 3.37Å; D271-Q275 PolarHBondContact O-N 3.15Å; K272-Q275 PolarHBondContact O-N 2.89Å; Q275-G277 PolarHBondContact O-N 2.89Å; Q275-P278 WeakPolarHBondContact O-CD 3.4Å; Q275-L279 VanDerWaalsContact O-CB 3.25Å; Q275-L279 WeakPolarHBondContact O-CB 3.38Å; Q275-L279 PolarHBondContact O-N 3.3Å |
| 276 | F | 96.2 | Very high | 96.4 | Very high | 80 Ų | 80 | 69 Ų | 69 | 35% | 0.351 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -56.5 | -54.1 | -177.2 | 176.8 | -98.8 | 0 | 0 | 0 | 113.2 | V79 L80 Y143 K272 L279 V280 | V79-F276 HydrophobicContact CG1-CD2 3.93Å; V79-F276 HydrophobicContact CG1-CE2 3.67Å; L80-F276 HydrophobicContact CD2-CE2 4.32Å; L80-F276 HydrophobicContact CD2-CZ 3.83Å; Y143-F276 HydrophobicContact CE2-CB 4.4Å; K272-F276 WeakPolarHBondContact O-CB 3.46Å; K272-F276 PolarHBondContact O-N 2.96Å; K272-F276 VanDerWaalsContact O-N 3.07Å; F276-L279 WeakPolarHBondContact O-CB 3.4Å; F276-L279 PolarHBondContact O-N 3.34Å; F276-V280 HydrophobicContact CD1-CG2 4.38Å; F276-V280 HydrophobicContact CD2-CG2 4.25Å; F276-V280 HydrophobicContact CE1-CG2 4.05Å; F276-V280 HydrophobicContact CE2-CG2 3.93Å; F276-V280 HydrophobicContact CG-CG2 4.48Å; F276-V280 HydrophobicContact CZ-CG2 3.82Å; F276-V280 VanDerWaalsContact O-CG2 3.31Å; F276-V280 WeakPolarHBondContact O-CG2 3.48Å; F276-V280 PolarHBondContact O-N 3.09Å |
| 277 | G | 95.7 | Very high | 96.7 | Very high | 31 Ų | 31 | 65 Ų | 65 | 32% | 0.32 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -60.2 | -51.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q275 L279 V280 R281 | Q275-G277 PolarHBondContact O-N 2.89Å; G277-L279 VanDerWaalsContact C-N 3.3Å; G277-L279 PolarHBondContact O-N 3Å; G277-V280 PolarHBondContact O-N 3.48Å; G277-R281 PolarHBondContact O-N 3.4Å |
| 278 | P | 97.4 | Very high | 96.8 | Very high | 60 Ų | 60 | 59.2 Ų | 59.2 | 39% | 0.39 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -56.5 | -39.9 | 172.6 | -27.6 | 36 | 0 | 0 | 0 | 113.6 | K274 Q275 R281 W282 | K274-P278 WeakPolarHBondContact O-CD 3.35Å; K274-P278 WeakPolarHBondContact O-CG 3.46Å; Q275-P278 WeakPolarHBondContact O-CD 3.4Å; P278-R281 PolarHBondContact O-N 3.32Å; P278-W282 WeakPolarHBondContact O-CB 3.34Å; P278-W282 PolarHBondContact O-N 3.13Å |
| 279 | L | 97.8 | Very high | 97 | Very high | 10 Ų | 10 | 61.6 Ų | 61.6 | 5% | 0.052 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.6 | -50.2 | 178.2 | 180 | 61 | 0 | 0 | 0 | 111.6 | Y75 V79 R139 Y143 Q275 F276 G277 R281 W282 L283 | Y75-L279 HydrophobicContact CE1-CD1 4.28Å; Y75-L279 HydrophobicContact CE1-CD2 4.15Å; V79-L279 HydrophobicContact CG1-CD2 4.32Å; V79-L279 HydrophobicContact CG2-CD2 3.87Å; R139-L279 HydrophobicContact CB-CD1 4.08Å; Y143-L279 HydrophobicContact CD1-CD2 3.7Å; Y143-L279 HydrophobicContact CD2-CD2 3.78Å; Y143-L279 HydrophobicContact CE1-CD2 4.23Å; Y143-L279 HydrophobicContact CE2-CD2 4.3Å; Y143-L279 HydrophobicContact CG-CD2 3.46Å; Y143-L279 VanDerWaalsContact CG-CD2 3.46Å; Q275-L279 VanDerWaalsContact O-CB 3.25Å; Q275-L279 WeakPolarHBondContact O-CB 3.38Å; Q275-L279 PolarHBondContact O-N 3.3Å; F276-L279 WeakPolarHBondContact O-CB 3.4Å; F276-L279 PolarHBondContact O-N 3.34Å; G277-L279 VanDerWaalsContact C-N 3.3Å; G277-L279 PolarHBondContact O-N 3Å; L279-R281 VanDerWaalsContact C-N 3.31Å; L279-R281 PolarHBondContact O-N 3.16Å; L279-W282 PolarHBondContact O-N 2.87Å; L279-W282 VanDerWaalsContact O-N 3.16Å; L279-L283 HydrophobicContact CD1-CD1 4.28Å; L279-L283 HydrophobicContact CD1-CG 4.28Å; L279-L283 HydrophobicContact CG-CD1 4.06Å; L279-L283 HydrophobicContact CG-CG 4.49Å; L279-L283 WeakPolarHBondContact O-CG 3.44Å; L279-L283 PolarHBondContact O-N 3.01Å |
| 280 | V | 97.3 | Very high | 97.2 | Very high | 20 Ų | 20 | 59.9 Ų | 59.9 | 12% | 0.121 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59.6 | -43.3 | 178.5 | 175.3 | 0 | 0 | 0 | 0 | 111 | M76 V79 L80 F276 G277 W282 L283 K284 | M76-V280 HydrophobicContact SD-CG1 4.21Å; V79-V280 HydrophobicContact CG1-CG2 3.9Å; L80-V280 HydrophobicContact CD2-CG2 4.27Å; F276-V280 HydrophobicContact CD1-CG2 4.38Å; F276-V280 HydrophobicContact CD2-CG2 4.25Å; F276-V280 HydrophobicContact CE1-CG2 4.05Å; F276-V280 HydrophobicContact CE2-CG2 3.93Å; F276-V280 HydrophobicContact CG-CG2 4.48Å; F276-V280 HydrophobicContact CZ-CG2 3.82Å; F276-V280 VanDerWaalsContact O-CG2 3.31Å; F276-V280 WeakPolarHBondContact O-CG2 3.48Å; F276-V280 PolarHBondContact O-N 3.09Å; G277-V280 PolarHBondContact O-N 3.48Å; V280-W282 PolarHBondContact O-N 3.2Å; V280-L283 PolarHBondContact O-N 2.91Å; V280-K284 PolarHBondContact O-N 3.34Å |
| 281 | R | 97.5 | Very high | 97.3 | Very high | 173 Ų | 173 | 56.9 Ų | 56.9 | 65% | 0.653 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -61.8 | -43.8 | 176.3 | -171.2 | -178.4 | -60.2 | 116.9 | 2.1 | 111.7 | G277 P278 L279 K284 V285 | G277-R281 PolarHBondContact O-N 3.4Å; P278-R281 PolarHBondContact O-N 3.32Å; L279-R281 VanDerWaalsContact C-N 3.31Å; L279-R281 PolarHBondContact O-N 3.16Å; R281-K284 PolarHBondContact O-N 2.93Å; R281-V285 WeakPolarHBondContact O-CG2 3.42Å; R281-V285 PolarHBondContact O-N 3.31Å; R281-V285 VanDerWaalsContact O-N 3.14Å |
| 282 | W | 98.4 | Very high | 97.4 | Very high | 34 Ų | 34 | 54.4 Ų | 54.4 | 13% | 0.129 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.3 | -45 | 177.4 | -175.4 | 91.6 | 0 | 0 | 0 | 111.2 | I132 D135 L136 P278 L279 V280 K284 V285 N286 | I132-W282 HydrophobicContact CG2-CH2 4.38Å; D135-W282 HydrophobicContact CB-CH2 3.9Å; D135-W282 HydrophobicContact CB-CZ2 3.35Å; L136-W282 HydrophobicContact CB-CH2 3.95Å; L136-W282 HydrophobicContact CB-CZ3 4.12Å; L136-W282 HydrophobicContact CD1-CZ3 4.04Å; P278-W282 WeakPolarHBondContact O-CB 3.34Å; P278-W282 PolarHBondContact O-N 3.13Å; L279-W282 PolarHBondContact O-N 2.87Å; L279-W282 VanDerWaalsContact O-N 3.16Å; V280-W282 PolarHBondContact O-N 3.2Å; W282-K284 PolarHBondContact O-N 2.95Å; W282-V285 PolarHBondContact O-N 3.29Å; W282-N286 VanDerWaalsContact CD2-ND2 3.34Å; W282-N286 HydrophobicContact CE3-CB 4.48Å; W282-N286 HydrophobicContact CH2-CB 4.06Å; W282-N286 HydrophobicContact CZ2-CB 4.13Å; W282-N286 HydrophobicContact CZ3-CB 4.25Å; W282-N286 PolarHBondContact NE1-ND2 3.17Å; W282-N286 VanDerWaalsContact NE1-ND2 3.19Å; W282-N286 WeakPolarHBondContact O-CB 3.33Å; W282-N286 PolarHBondContact O-N 2.79Å; W282-N286 PolarHBondContact O-ND2 2.89Å |
| 283 | L | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -61.6 | -43 | 177.6 | -68.1 | 169 | 0 | 0 | 0 | 111.8 | V72 Y75 M76 V79 L136 L279 V280 V285 N286 F287 | V72-L283 HydrophobicContact CG1-CD2 4.14Å; Y75-L283 HydrophobicContact CD1-CD1 3.9Å; Y75-L283 HydrophobicContact CD1-CD2 3.79Å; Y75-L283 HydrophobicContact CD1-CG 4.47Å; Y75-L283 HydrophobicContact CE1-CD1 4.25Å; Y75-L283 HydrophobicContact CE1-CD2 4.5Å; M76-L283 HydrophobicContact CE-CB 3.4Å; M76-L283 HydrophobicContact SD-CB 4.2Å; M76-L283 HydrophobicContact SD-CD1 4.37Å; V79-L283 HydrophobicContact CG2-CD1 4.21Å; L136-L283 HydrophobicContact CD1-CD2 3.58Å; L279-L283 HydrophobicContact CD1-CD1 4.28Å; L279-L283 HydrophobicContact CD1-CG 4.28Å; L279-L283 HydrophobicContact CG-CD1 4.06Å; L279-L283 HydrophobicContact CG-CG 4.49Å; L279-L283 WeakPolarHBondContact O-CG 3.44Å; L279-L283 PolarHBondContact O-N 3.01Å; V280-L283 PolarHBondContact O-N 2.91Å; L283-V285 PolarHBondContact O-N 3.46Å; L283-N286 PolarHBondContact O-N 3.12Å; L283-F287 WeakPolarHBondContact O-CB 3.48Å; L283-F287 PolarHBondContact O-N 3.45Å |
| 284 | K | 98.1 | Very high | 97.8 | Very high | 87 Ų | 87 | 44.2 Ų | 44.2 | 38% | 0.378 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -59.1 | -48 | 177.3 | 178.1 | 171.5 | -177.9 | 168.4 | 0 | 112.2 | M76 V280 R281 W282 S288 | M76-K284 HydrophobicContact CE-CB 4.16Å; V280-K284 PolarHBondContact O-N 3.34Å; R281-K284 PolarHBondContact O-N 2.93Å; W282-K284 PolarHBondContact O-N 2.95Å; K284-S288 PolarHBondContact O-N 3.48Å |
| 285 | V | 98.3 | Very high | 97.9 | Very high | 80 Ų | 80 | 37.8 Ų | 37.8 | 49% | 0.485 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -64.3 | -49.1 | 179.4 | 172 | 0 | 0 | 0 | 0 | 110.6 | R281 W282 L283 F287 S288 E289 | R281-V285 WeakPolarHBondContact O-CG2 3.42Å; R281-V285 PolarHBondContact O-N 3.31Å; R281-V285 VanDerWaalsContact O-N 3.14Å; W282-V285 PolarHBondContact O-N 3.29Å; L283-V285 PolarHBondContact O-N 3.46Å; V285-F287 PolarHBondContact O-N 3.4Å; V285-S288 WeakPolarHBondContact O-CB 3.43Å; V285-S288 PolarHBondContact O-N 3.47Å; V285-E289 HydrophobicContact CG1-CG 4.46Å; V285-E289 WeakPolarHBondContact O-CG 3.37Å; V285-E289 PolarHBondContact O-N 2.85Å |
| 286 | N | 98.5 | Very high | 98 | Very high | 23 Ų | 23 | 32.7 Ų | 32.7 | 12% | 0.123 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -75.3 | -25.5 | -174.2 | -71.9 | -86.4 | 0 | 0 | 0 | 113.1 | I132 W282 L283 A290 | I132-N286 HydrophobicContact CG1-CB 4.42Å; I132-N286 HydrophobicContact CG2-CB 3.97Å; W282-N286 VanDerWaalsContact CD2-ND2 3.34Å; W282-N286 HydrophobicContact CE3-CB 4.48Å; W282-N286 HydrophobicContact CH2-CB 4.06Å; W282-N286 HydrophobicContact CZ2-CB 4.13Å; W282-N286 HydrophobicContact CZ3-CB 4.25Å; W282-N286 PolarHBondContact NE1-ND2 3.17Å; W282-N286 VanDerWaalsContact NE1-ND2 3.19Å; W282-N286 WeakPolarHBondContact O-CB 3.33Å; W282-N286 PolarHBondContact O-N 2.79Å; W282-N286 PolarHBondContact O-ND2 2.89Å; L283-N286 PolarHBondContact O-N 3.12Å; N286-A290 VanDerWaalsContact O-CB 3.23Å; N286-A290 WeakPolarHBondContact O-CB 3.44Å; N286-A290 PolarHBondContact O-N 3.31Å |
| 287 | F | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.4 | -50.6 | 167.5 | 174.6 | -95.6 | 0 | 0 | 0 | 110.8 | V69 V72 A73 L91 L98 L283 V285 E289 A290 F291 L378 | V69-F287 HydrophobicContact CG1-CE2 3.95Å; V72-F287 HydrophobicContact CG1-CB 3.72Å; V72-F287 HydrophobicContact CG1-CD2 4.36Å; A73-F287 HydrophobicContact CB-CD2 4.22Å; A73-F287 HydrophobicContact CB-CE2 3.96Å; L91-F287 VanDerWaalsContact CA-CE1 3.41Å; L91-F287 HydrophobicContact CB-CD1 4.16Å; L91-F287 HydrophobicContact CB-CE1 3.67Å; L91-F287 HydrophobicContact CB-CE2 4.35Å; L91-F287 HydrophobicContact CB-CZ 3.77Å; L91-F287 HydrophobicContact CD2-CD1 4.04Å; L91-F287 HydrophobicContact CD2-CD2 3.68Å; L91-F287 HydrophobicContact CD2-CE1 4.22Å; L91-F287 HydrophobicContact CD2-CE2 3.85Å; L91-F287 HydrophobicContact CD2-CG 3.77Å; L91-F287 HydrophobicContact CD2-CZ 4.13Å; L91-F287 HydrophobicContact CG-CE1 4.5Å; L91-F287 HydrophobicContact CG-CE2 4.47Å; L91-F287 HydrophobicContact CG-CZ 4.37Å; L98-F287 HydrophobicContact CD1-CZ 4.17Å; L98-F287 HydrophobicContact CD2-CE1 3.87Å; L98-F287 HydrophobicContact CD2-CZ 4.04Å; L283-F287 WeakPolarHBondContact O-CB 3.48Å; L283-F287 PolarHBondContact O-N 3.45Å; V285-F287 PolarHBondContact O-N 3.4Å; F287-E289 VanDerWaalsContact C-N 3.34Å; F287-E289 PolarHBondContact O-N 2.92Å; F287-A290 PolarHBondContact O-N 2.86Å; F287-F291 HydrophobicContact CE1-CB 4.48Å; F287-F291 HydrophobicContact CZ-CB 4.46Å; F287-F291 HydrophobicContact CZ-CD2 4.25Å; F287-F291 WeakPolarHBondContact O-CB 3.44Å; F287-F291 PolarHBondContact O-N 3.43Å; F287-L378 HydrophobicContact CE2-CD1 3.58Å; F287-L378 HydrophobicContact CZ-CD1 3.54Å |
| 288 | S | 98.3 | Very high | 98.3 | Very high | 16 Ų | 16 | 27.8 Ų | 27.8 | 11% | 0.112 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -56.6 | -49.1 | 177 | 174.9 | 0 | 0 | 0 | 0 | 111 | L92 N94 K284 V285 F291 I292 | L92-S288 WeakPolarHBondContact O-CA 3.34Å; L92-S288 VanDerWaalsContact O-CB 3.3Å; L92-S288 WeakPolarHBondContact O-CB 3.33Å; N94-S288 PolarHBondContact N-OG 2.87Å; K284-S288 PolarHBondContact O-N 3.48Å; V285-S288 WeakPolarHBondContact O-CB 3.43Å; V285-S288 PolarHBondContact O-N 3.47Å; S288-F291 PolarHBondContact O-N 2.73Å; S288-I292 WeakPolarHBondContact O-CB 3.37Å; S288-I292 WeakPolarHBondContact O-CD1 3.12Å; S288-I292 WeakPolarHBondContact O-CG1 3.48Å; S288-I292 PolarHBondContact O-N 3.41Å |
| 289 | E | 98.3 | Very high | 98.3 | Very high | 64 Ų | 64 | 25 Ų | 25 | 30% | 0.299 | 12% | 0.116 | S | C | . | . | H | α-helix | trans | -59.7 | -47.5 | 178.5 | -69.9 | -62.1 | 136.7 | 0 | 0 | 112.6 | K111 I132 V285 F287 I292 A293 | K111-E289 IonicContact NZ-OE1 2.92Å; K111-E289 PolarHBondContact NZ-OE1 3.27Å; K111-E289 IonicContact NZ-OE2 3.59Å; K111-E289 PolarHBondContact NZ-OE2 2.83Å; I132-E289 HydrophobicContact CD1-CB 4Å; V285-E289 HydrophobicContact CG1-CG 4.46Å; V285-E289 WeakPolarHBondContact O-CG 3.37Å; V285-E289 PolarHBondContact O-N 2.85Å; F287-E289 VanDerWaalsContact C-N 3.34Å; F287-E289 PolarHBondContact O-N 2.92Å; E289-I292 PolarHBondContact O-N 2.88Å; E289-A293 VanDerWaalsContact O-CB 3.31Å; E289-A293 WeakPolarHBondContact O-CB 3.48Å; E289-A293 PolarHBondContact O-N 2.92Å |
| 290 | A | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -65.1 | -40.8 | 179 | 0 | 0 | 0 | 0 | 0 | 112 | V69 I132 N286 F287 A293 W294 | V69-A290 VanDerWaalsContact CG2-C 3.48Å; V69-A290 HydrophobicContact CG2-CB 3.73Å; V69-A290 WeakPolarHBondContact CG2-O 3.3Å; I132-A290 HydrophobicContact CD1-CB 4.12Å; N286-A290 VanDerWaalsContact O-CB 3.23Å; N286-A290 WeakPolarHBondContact O-CB 3.44Å; N286-A290 PolarHBondContact O-N 3.31Å; F287-A290 PolarHBondContact O-N 2.86Å; A290-A293 PolarHBondContact O-N 3.39Å; A290-W294 WeakPolarHBondContact O-CB 3.09Å; A290-W294 PolarHBondContact O-N 2.86Å |
| 291 | F | 98.4 | Very high | 98.4 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -67.6 | -44.1 | 178.7 | -171.1 | -88.5 | 0 | 0 | 0 | 111.7 | V69 A93 L98 Y101 I102 F287 S288 A293 W294 I295 L378 | V69-F291 HydrophobicContact CG1-CD2 4.01Å; A93-F291 HydrophobicContact CB-CD1 3.58Å; A93-F291 HydrophobicContact CB-CE1 4.14Å; A93-F291 HydrophobicContact CB-CG 4.38Å; L98-F291 HydrophobicContact CB-CE1 4.26Å; L98-F291 HydrophobicContact CB-CE2 4.38Å; L98-F291 HydrophobicContact CB-CZ 3.81Å; L98-F291 HydrophobicContact CD1-CD2 4.39Å; L98-F291 HydrophobicContact CD1-CE2 3.85Å; L98-F291 HydrophobicContact CD1-CZ 4.14Å; L98-F291 HydrophobicContact CD2-CD1 3.92Å; L98-F291 HydrophobicContact CD2-CD2 4.02Å; L98-F291 HydrophobicContact CD2-CE1 3.77Å; L98-F291 HydrophobicContact CD2-CE2 3.91Å; L98-F291 HydrophobicContact CD2-CG 4.03Å; L98-F291 HydrophobicContact CD2-CZ 3.76Å; L98-F291 HydrophobicContact CG-CE2 4.26Å; L98-F291 HydrophobicContact CG-CZ 4.1Å; Y101-F291 HydrophobicContact CD1-CD1 4.1Å; Y101-F291 AromaticContact CD1-CE1 3.8Å; Y101-F291 HydrophobicContact CD1-CE1 3.8Å; Y101-F291 HydrophobicContact CE1-CD1 4.42Å; Y101-F291 HydrophobicContact CE1-CE1 4.43Å; I102-F291 HydrophobicContact CD1-CE1 4.35Å; I102-F291 HydrophobicContact CD1-CZ 3.8Å; I102-F291 HydrophobicContact CG1-CE1 4.06Å; I102-F291 HydrophobicContact CG1-CZ 4.02Å; F287-F291 HydrophobicContact CE1-CB 4.48Å; F287-F291 HydrophobicContact CZ-CB 4.46Å; F287-F291 HydrophobicContact CZ-CD2 4.25Å; F287-F291 WeakPolarHBondContact O-CB 3.44Å; F287-F291 PolarHBondContact O-N 3.43Å; S288-F291 PolarHBondContact O-N 2.73Å; F291-A293 VanDerWaalsContact C-N 3.32Å; F291-A293 PolarHBondContact O-N 3Å; F291-W294 HydrophobicContact CD2-CE3 4.06Å; F291-W294 HydrophobicContact CD2-CZ3 4.45Å; F291-W294 AromaticContact CE2-CE3 3.96Å; F291-W294 HydrophobicContact CE2-CE3 3.96Å; F291-W294 HydrophobicContact CE2-CZ3 4Å; F291-W294 WeakPolarHBondContact O-CB 3.49Å; F291-W294 PolarHBondContact O-N 3.07Å; F291-W294 VanDerWaalsContact O-N 3.17Å; F291-I295 HydrophobicContact CD1-CG1 4.18Å; F291-I295 HydrophobicContact CE1-CD1 4.22Å; F291-I295 HydrophobicContact CE1-CG1 3.85Å; F291-I295 HydrophobicContact CZ-CD1 4.24Å; F291-I295 HydrophobicContact CZ-CG1 4.38Å; F291-I295 WeakPolarHBondContact O-CG1 3.47Å; F291-I295 PolarHBondContact O-N 3.02Å; F291-I295 VanDerWaalsContact O-N 3.11Å; F291-L378 HydrophobicContact CD2-CD1 4.11Å; F291-L378 HydrophobicContact CE2-CD1 4.15Å |
| 292 | I | 98.3 | Very high | 98.4 | Very high | 6 Ų | 6 | 16.5 Ų | 16.5 | 3% | 0.031 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -57.3 | -48.7 | 173.7 | -71.5 | 166.1 | 0 | 0 | 0 | 110 | A93 N94 Y101 S288 E289 W294 I295 H296 | A93-I292 HydrophobicContact CB-CG1 4.46Å; N94-I292 HydrophobicContact CB-CD1 4.05Å; Y101-I292 HydrophobicContact CE1-CG1 4.34Å; Y101-I292 HydrophobicContact CE2-CD1 4.5Å; Y101-I292 HydrophobicContact CE2-CG1 3.86Å; Y101-I292 WeakPolarHBondContact OH-CG2 3.18Å; S288-I292 WeakPolarHBondContact O-CB 3.37Å; S288-I292 WeakPolarHBondContact O-CD1 3.12Å; S288-I292 WeakPolarHBondContact O-CG1 3.48Å; S288-I292 PolarHBondContact O-N 3.41Å; E289-I292 PolarHBondContact O-N 2.88Å; I292-W294 VanDerWaalsContact C-N 3.27Å; I292-W294 PolarHBondContact O-N 2.8Å; I292-I295 PolarHBondContact O-N 3.43Å; I292-H296 PolarHBondContact O-N 2.85Å; I292-H296 VanDerWaalsContact O-N 3.11Å; I292-H296 PolarHBondContact O-ND1 2.88Å |
| 293 | A | 98.7 | Very high | 98.4 | Very high | 3 Ų | 3 | 15.1 Ų | 15.1 | 3% | 0.025 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -57.6 | -41.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | V65 I125 V129 E289 A290 F291 I295 H296 V297 | V65-A293 HydrophobicContact CG1-CB 4.45Å; I125-A293 HydrophobicContact CG2-CB 3.97Å; V129-A293 HydrophobicContact CG2-CB 3.84Å; E289-A293 VanDerWaalsContact O-CB 3.31Å; E289-A293 WeakPolarHBondContact O-CB 3.48Å; E289-A293 PolarHBondContact O-N 2.92Å; A290-A293 PolarHBondContact O-N 3.39Å; F291-A293 VanDerWaalsContact C-N 3.32Å; F291-A293 PolarHBondContact O-N 3Å; A293-I295 PolarHBondContact O-N 3.23Å; A293-H296 PolarHBondContact O-N 2.95Å; A293-V297 WeakPolarHBondContact O-CG2 3.27Å; A293-V297 PolarHBondContact O-N 3.19Å |
| 294 | W | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -59 | -48.2 | 178 | -171.5 | 32.2 | 0 | 0 | 0 | 112.6 | D62 V65 E66 V69 A290 F291 I292 H296 V297 K298 I374 L378 | D62-W294 VanDerWaalsContact OD1-CD1 3.28Å; D62-W294 PolarHBondContact OD1-NE1 3.25Å; V65-W294 HydrophobicContact CG1-CB 3.68Å; V65-W294 HydrophobicContact CG1-CG 4.26Å; E66-W294 HydrophobicContact CB-CZ2 3.88Å; E66-W294 HydrophobicContact CG-CH2 4.03Å; E66-W294 HydrophobicContact CG-CZ2 3.51Å; V69-W294 HydrophobicContact CG2-CB 4.25Å; A290-W294 WeakPolarHBondContact O-CB 3.09Å; A290-W294 PolarHBondContact O-N 2.86Å; F291-W294 HydrophobicContact CD2-CE3 4.06Å; F291-W294 HydrophobicContact CD2-CZ3 4.45Å; F291-W294 AromaticContact CE2-CE3 3.96Å; F291-W294 HydrophobicContact CE2-CE3 3.96Å; F291-W294 HydrophobicContact CE2-CZ3 4Å; F291-W294 WeakPolarHBondContact O-CB 3.49Å; F291-W294 PolarHBondContact O-N 3.07Å; F291-W294 VanDerWaalsContact O-N 3.17Å; I292-W294 VanDerWaalsContact C-N 3.27Å; I292-W294 PolarHBondContact O-N 2.8Å; W294-H296 VanDerWaalsContact C-N 3.28Å; W294-H296 PolarHBondContact O-N 2.98Å; W294-V297 WeakPolarHBondContact O-CB 3.46Å; W294-V297 PolarHBondContact O-N 2.99Å; W294-V297 VanDerWaalsContact O-N 3.1Å; W294-K298 VanDerWaalsContact NE1-CE 3.31Å; W294-K298 WeakPolarHBondContact O-CG 3.5Å; W294-K298 PolarHBondContact O-N 3.49Å; W294-I374 HydrophobicContact CH2-CG2 4.08Å; W294-I374 HydrophobicContact CZ3-CG2 4.14Å; W294-L378 HydrophobicContact CZ3-CD2 4.2Å |
| 295 | I | 98.5 | Very high | 98.3 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -66.4 | -32.2 | 179.5 | -54.8 | -52.9 | 0 | 0 | 0 | 111.5 | F38 Y101 I102 F105 F291 I292 A293 K298 A299 I374 | F38-I295 HydrophobicContact CE2-CG2 4.11Å; F38-I295 HydrophobicContact CZ-CG2 3.96Å; Y101-I295 HydrophobicContact CD1-CG1 4.27Å; Y101-I295 HydrophobicContact CE1-CB 4.06Å; Y101-I295 HydrophobicContact CE1-CG1 3.92Å; Y101-I295 HydrophobicContact CE1-CG2 4.37Å; I102-I295 HydrophobicContact CD1-CD1 4.22Å; I102-I295 HydrophobicContact CG1-CD1 3.93Å; I102-I295 HydrophobicContact CG1-CG1 4.23Å; F105-I295 HydrophobicContact CD2-CB 4.42Å; F105-I295 HydrophobicContact CD2-CG2 3.51Å; F105-I295 HydrophobicContact CE2-CB 4.44Å; F105-I295 HydrophobicContact CE2-CG2 3.79Å; F105-I295 HydrophobicContact CG-CG2 4.17Å; F291-I295 HydrophobicContact CD1-CG1 4.18Å; F291-I295 HydrophobicContact CE1-CD1 4.22Å; F291-I295 HydrophobicContact CE1-CG1 3.85Å; F291-I295 HydrophobicContact CZ-CD1 4.24Å; F291-I295 HydrophobicContact CZ-CG1 4.38Å; F291-I295 WeakPolarHBondContact O-CG1 3.47Å; F291-I295 PolarHBondContact O-N 3.02Å; F291-I295 VanDerWaalsContact O-N 3.11Å; I292-I295 PolarHBondContact O-N 3.43Å; A293-I295 PolarHBondContact O-N 3.23Å; I295-K298 WeakPolarHBondContact O-CB 3.46Å; I295-K298 PolarHBondContact O-N 3.36Å; I295-A299 PolarHBondContact O-N 3.16Å; I295-I374 HydrophobicContact CD1-CD1 4.22Å; I295-I374 HydrophobicContact CD1-CG2 4.05Å |
| 296 | H | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 8.8 Ų | 8.8 | 0% | 0 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -67 | -37.9 | 171.5 | -74.7 | 80.2 | 0 | 0 | 0 | 112.5 | F105 W107 D108 Y112 I125 I292 A293 W294 K298 A299 L300 | F105-H296 AromaticContact CE2-CE1 3.64Å; F105-H296 AromaticContact CE2-ND1 3.85Å; F105-H296 AromaticContact CE2-NE2 3.86Å; F105-H296 AromaticContact CZ-NE2 3.93Å; W107-H296 AromaticContact CD2-CD2 3.84Å; W107-H296 AromaticContact CE3-CD2 3.72Å; W107-H296 AromaticContact CZ3-CD2 3.89Å; D108-H296 PolarHBondContact N-NE2 3.14Å; Y112-H296 HydrophobicContact CD2-CB 4.25Å; Y112-H296 AromaticContact CD2-CD2 3.22Å; Y112-H296 WeakPolarHBondContact CD2-CD2 3.14Å; Y112-H296 AromaticContact CD2-CG 3.64Å; Y112-H296 AromaticContact CD2-NE2 3.56Å; Y112-H296 HydrophobicContact CE2-CB 3.99Å; Y112-H296 AromaticContact CE2-CD2 3.57Å; Y112-H296 AromaticContact CE2-CE1 3.88Å; Y112-H296 AromaticContact CE2-CG 3.47Å; Y112-H296 VanDerWaalsContact CE2-CG 3.47Å; Y112-H296 AromaticContact CE2-ND1 3.69Å; Y112-H296 AromaticContact CE2-NE2 3.83Å; I125-H296 HydrophobicContact CD1-CB 4.07Å; I292-H296 PolarHBondContact O-N 2.85Å; I292-H296 VanDerWaalsContact O-N 3.11Å; I292-H296 PolarHBondContact O-ND1 2.88Å; A293-H296 PolarHBondContact O-N 2.95Å; W294-H296 VanDerWaalsContact C-N 3.28Å; W294-H296 PolarHBondContact O-N 2.98Å; H296-K298 VanDerWaalsContact C-N 3.35Å; H296-A299 WeakPolarHBondContact O-CB 3.4Å; H296-A299 PolarHBondContact O-N 3.48Å; H296-L300 WeakPolarHBondContact O-CG 3.3Å; H296-L300 PolarHBondContact O-N 3.36Å |
| 297 | V | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 8 Ų | 8 | 0% | 0 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -62.7 | -43.1 | 171.8 | 177.6 | 0 | 0 | 0 | 0 | 110.6 | L58 L61 D62 V65 I125 A293 W294 A299 L300 R301 | L58-V297 HydrophobicContact CD2-CG1 4.45Å; L61-V297 HydrophobicContact CD2-CG2 3.94Å; L61-V297 HydrophobicContact CG-CG1 4.33Å; L61-V297 HydrophobicContact CG-CG2 4.01Å; D62-V297 HydrophobicContact CB-CG1 3.72Å; V65-V297 HydrophobicContact CG2-CG2 4.22Å; I125-V297 HydrophobicContact CB-CG2 4.46Å; I125-V297 HydrophobicContact CD1-CG2 3.96Å; I125-V297 HydrophobicContact CG2-CG2 3.62Å; A293-V297 WeakPolarHBondContact O-CG2 3.27Å; A293-V297 PolarHBondContact O-N 3.19Å; W294-V297 WeakPolarHBondContact O-CB 3.46Å; W294-V297 PolarHBondContact O-N 2.99Å; W294-V297 VanDerWaalsContact O-N 3.1Å; V297-A299 VanDerWaalsContact C-N 3.29Å; V297-A299 PolarHBondContact O-N 2.86Å; V297-L300 PolarHBondContact O-N 3.15Å; V297-R301 HydrophobicContact CG1-CG 4.37Å; V297-R301 WeakPolarHBondContact O-CG 3.34Å; V297-R301 PolarHBondContact O-N 3.38Å |
| 298 | K | 98.5 | Very high | 97.8 | Very high | 8 Ų | 8 | 10.4 Ų | 10.4 | 4% | 0.035 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -58.3 | -42.2 | 174.2 | -64.5 | -69.3 | -175.6 | -170.9 | 0 | 111.6 | L6 D62 W294 I295 H296 R301 V302 K373 I374 | L6-K298 HydrophobicContact CD2-CB 3.92Å; D62-K298 WeakPolarHBondContact OD1-CE 3.28Å; D62-K298 IonicContact OD1-NZ 3.88Å; D62-K298 PolarHBondContact OD1-NZ 3.48Å; D62-K298 WeakPolarHBondContact OD2-CE 3.42Å; D62-K298 IonicContact OD2-NZ 2.73Å; D62-K298 PolarHBondContact OD2-NZ 3.21Å; W294-K298 VanDerWaalsContact NE1-CE 3.31Å; W294-K298 WeakPolarHBondContact O-CG 3.5Å; W294-K298 PolarHBondContact O-N 3.49Å; I295-K298 WeakPolarHBondContact O-CB 3.46Å; I295-K298 PolarHBondContact O-N 3.36Å; H296-K298 VanDerWaalsContact C-N 3.35Å; K298-R301 PolarHBondContact O-N 3.14Å; K298-V302 WeakPolarHBondContact O-CG2 3.34Å; K298-V302 PolarHBondContact O-N 3.28Å; K298-K373 PolarHBondContact NZ-O 3.41Å; K298-I374 HydrophobicContact CB-CD1 4.48Å; K298-I374 HydrophobicContact CD-CG1 4.17Å; K298-I374 HydrophobicContact CG-CD1 4.24Å; K298-I374 HydrophobicContact CG-CG1 4.1Å |
| 299 | A | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -62.1 | -45 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | F38 I40 F105 W107 I295 H296 V297 R301 V302 F303 | F38-A299 HydrophobicContact CE1-CB 3.7Å; F38-A299 HydrophobicContact CZ-CB 4.12Å; I40-A299 HydrophobicContact CG1-CB 4.41Å; F105-A299 HydrophobicContact CE1-CB 4.19Å; F105-A299 HydrophobicContact CZ-CB 4.11Å; W107-A299 HydrophobicContact CE3-CB 4.23Å; W107-A299 HydrophobicContact CZ3-CB 3.79Å; I295-A299 PolarHBondContact O-N 3.16Å; H296-A299 WeakPolarHBondContact O-CB 3.4Å; H296-A299 PolarHBondContact O-N 3.48Å; V297-A299 VanDerWaalsContact C-N 3.29Å; V297-A299 PolarHBondContact O-N 2.86Å; A299-R301 PolarHBondContact O-N 2.79Å; A299-V302 PolarHBondContact O-N 3.02Å; A299-F303 WeakPolarHBondContact O-CB 3.46Å; A299-F303 PolarHBondContact O-N 3.39Å |
| 300 | L | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -60.2 | -44.3 | 174.3 | -71.2 | 173.6 | 0 | 0 | 0 | 111.8 | L43 L58 W107 L118 I121 I125 H296 V297 V302 F303 V304 | L43-L300 HydrophobicContact CD1-CD2 3.98Å; L58-L300 HydrophobicContact CD1-CB 3.95Å; L58-L300 HydrophobicContact CD2-CB 3.97Å; L58-L300 HydrophobicContact CD2-CD1 4Å; W107-L300 HydrophobicContact CH2-CD2 3.75Å; W107-L300 HydrophobicContact CH2-CG 3.96Å; W107-L300 HydrophobicContact CZ3-CD2 4.49Å; L118-L300 HydrophobicContact CD2-CD2 3.7Å; I121-L300 HydrophobicContact CG2-CD1 4.01Å; I121-L300 HydrophobicContact CG2-CD2 4.45Å; I125-L300 HydrophobicContact CD1-CD1 3.97Å; H296-L300 WeakPolarHBondContact O-CG 3.3Å; H296-L300 PolarHBondContact O-N 3.36Å; V297-L300 PolarHBondContact O-N 3.15Å; L300-V302 PolarHBondContact O-N 3.41Å; L300-F303 PolarHBondContact O-N 3.04Å; L300-V304 WeakPolarHBondContact O-CG2 3.45Å; L300-V304 PolarHBondContact O-N 2.78Å |
| 301 | R | 98.2 | Very high | 96.9 | Very high | 25 Ų | 25 | 14 Ų | 14 | 9% | 0.094 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -60.6 | -45.4 | 177.5 | -75.4 | -168.3 | 71.9 | 164.1 | 13.2 | 112.1 | L58 D62 V297 K298 A299 F303 E305 Y372 | L58-R301 HydrophobicContact CB-CG 3.69Å; L58-R301 HydrophobicContact CD1-CG 4.38Å; D62-R301 WeakPolarHBondContact OD2-CD 3.23Å; D62-R301 IonicContact OD2-CZ 2.71Å; D62-R301 IonicContact OD2-NE 2.78Å; D62-R301 IonicContact OD2-NH1 2.63Å; D62-R301 PolarHBondContact OD2-NH1 3.37Å; V297-R301 HydrophobicContact CG1-CG 4.37Å; V297-R301 WeakPolarHBondContact O-CG 3.34Å; V297-R301 PolarHBondContact O-N 3.38Å; K298-R301 PolarHBondContact O-N 3.14Å; A299-R301 PolarHBondContact O-N 2.79Å; R301-F303 VanDerWaalsContact C-N 3.33Å; R301-E305 WeakPolarHBondContact O-CB 3.25Å; R301-E305 PolarHBondContact O-N 3.19Å; R301-Y372 HydrophobicContact CB-CD2 4.27Å; R301-Y372 HydrophobicContact CB-CE1 4.41Å; R301-Y372 HydrophobicContact CB-CE2 3.69Å; R301-Y372 VanDerWaalsContact NE-CE1 3.32Å |
| 302 | V | 98.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -60.8 | -45.6 | 175.2 | 171.8 | 0 | 0 | 0 | 0 | 110.8 | L6 I40 K298 A299 L300 S306 F316 A318 Y372 | L6-V302 HydrophobicContact CD1-CG2 4.44Å; L6-V302 HydrophobicContact CD2-CG2 3.43Å; L6-V302 VanDerWaalsContact CD2-CG2 3.43Å; L6-V302 HydrophobicContact CG-CG2 3.58Å; I40-V302 HydrophobicContact CD1-CB 3.96Å; I40-V302 HydrophobicContact CD1-CG1 3.75Å; K298-V302 WeakPolarHBondContact O-CG2 3.34Å; K298-V302 PolarHBondContact O-N 3.28Å; A299-V302 PolarHBondContact O-N 3.02Å; L300-V302 PolarHBondContact O-N 3.41Å; V302-S306 WeakPolarHBondContact O-CB 3.45Å; V302-S306 PolarHBondContact O-N 3.41Å; V302-S306 PolarHBondContact O-OG 2.97Å; V302-F316 HydrophobicContact CG1-CE2 4.44Å; V302-A318 HydrophobicContact CG1-CB 3.87Å; V302-Y372 HydrophobicContact CG2-CD2 3.64Å; V302-Y372 HydrophobicContact CG2-CE2 4.06Å |
| 303 | F | 98 | Very high | 96.2 | Very high | 5 Ų | 5 | 24.8 Ų | 24.8 | 2% | 0.022 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -60.4 | -55.1 | -179.8 | -177.7 | -87.2 | 0 | 0 | 0 | 111.5 | I40 L43 V45 L118 A299 L300 R301 E305 S306 V307 V314 F316 | I40-F303 HydrophobicContact CG2-CB 4.33Å; I40-F303 HydrophobicContact CG2-CD2 3.97Å; L43-F303 HydrophobicContact CB-CD1 4.39Å; L43-F303 HydrophobicContact CB-CD2 4.25Å; L43-F303 HydrophobicContact CB-CE1 4.05Å; L43-F303 HydrophobicContact CB-CE2 3.89Å; L43-F303 HydrophobicContact CB-CG 4.5Å; L43-F303 HydrophobicContact CB-CZ 3.78Å; L43-F303 HydrophobicContact CD1-CB 4.22Å; L43-F303 HydrophobicContact CD1-CD1 4.28Å; L43-F303 HydrophobicContact CD1-CD2 4.01Å; L43-F303 HydrophobicContact CD1-CE2 4.49Å; L43-F303 HydrophobicContact CD1-CG 3.9Å; L43-F303 HydrophobicContact CG-CD2 4.42Å; L43-F303 HydrophobicContact CG-CE2 4.46Å; L43-F303 WeakPolarHBondContact O-CZ 3.31Å; V45-F303 HydrophobicContact CG2-CE1 4.33Å; V45-F303 HydrophobicContact CG2-CZ 3.96Å; L118-F303 HydrophobicContact CD1-CD1 3.97Å; L118-F303 HydrophobicContact CD1-CE1 3.88Å; L118-F303 HydrophobicContact CD2-CD1 4.15Å; L118-F303 HydrophobicContact CD2-CE1 4.3Å; A299-F303 WeakPolarHBondContact O-CB 3.46Å; A299-F303 PolarHBondContact O-N 3.39Å; L300-F303 PolarHBondContact O-N 3.04Å; R301-F303 VanDerWaalsContact C-N 3.33Å; F303-E305 PolarHBondContact O-N 2.95Å; F303-S306 PolarHBondContact O-N 3.3Å; F303-V307 HydrophobicContact CD1-CG2 4.38Å; F303-V307 HydrophobicContact CE1-CG2 4.02Å; F303-V307 HydrophobicContact CZ-CG2 4.18Å; F303-V307 WeakPolarHBondContact O-CG2 3.37Å; F303-V307 PolarHBondContact O-N 2.86Å; F303-V314 HydrophobicContact CE2-CG1 4.42Å; F303-V314 HydrophobicContact CZ-CG2 4.5Å; F303-F316 HydrophobicContact CB-CZ 4.43Å; F303-F316 HydrophobicContact CD2-CE1 4.12Å; F303-F316 AromaticContact CD2-CZ 3.75Å; F303-F316 HydrophobicContact CD2-CZ 3.75Å; F303-F316 HydrophobicContact CE2-CE1 4.42Å; F303-F316 HydrophobicContact CE2-CZ 4.41Å; F303-F316 HydrophobicContact CG-CZ 4.38Å |
| 304 | V | 97.4 | Very high | 95.9 | Very high | 1 Ų | 1 | 27.5 Ų | 27.5 | 1% | 0.006 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -59 | -50.5 | -178.6 | 170.7 | 0 | 0 | 0 | 0 | 110.8 | L51 L54 L58 L118 L300 S306 V307 L308 | L51-V304 HydrophobicContact CB-CG1 4.39Å; L51-V304 HydrophobicContact CD2-CB 4.46Å; L51-V304 HydrophobicContact CD2-CG1 4.17Å; L51-V304 HydrophobicContact CD2-CG2 3.98Å; L51-V304 WeakPolarHBondContact O-CG1 3.36Å; L54-V304 HydrophobicContact CD2-CG2 3.99Å; L54-V304 HydrophobicContact CG-CG2 4.47Å; L58-V304 HydrophobicContact CD1-CB 4.22Å; L58-V304 HydrophobicContact CD1-CG2 3.72Å; L118-V304 HydrophobicContact CD1-CG2 3.94Å; L300-V304 WeakPolarHBondContact O-CG2 3.45Å; L300-V304 PolarHBondContact O-N 2.78Å; V304-S306 VanDerWaalsContact C-N 3.32Å; V304-S306 PolarHBondContact O-N 3.4Å; V304-V307 PolarHBondContact O-N 3.38Å; V304-L308 HydrophobicContact CG1-CD1 3.87Å; V304-L308 HydrophobicContact CG1-CG 4.4Å; V304-L308 WeakPolarHBondContact O-CG 3.4Å; V304-L308 PolarHBondContact O-N 3.09Å |
| 305 | E | 96.2 | Very high | 95.7 | Very high | 33 Ų | 33 | 30.7 Ų | 30.7 | 15% | 0.154 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.5 | -37.3 | -178.9 | -169.2 | 68.7 | -168.1 | 0 | 0 | 111.9 | S55 R301 F303 L308 R309 V370 Y372 | S55-E305 PolarHBondContact OG-OE2 3.03Å; R301-E305 WeakPolarHBondContact O-CB 3.25Å; R301-E305 PolarHBondContact O-N 3.19Å; F303-E305 PolarHBondContact O-N 2.95Å; E305-L308 PolarHBondContact O-N 2.82Å; E305-R309 HydrophobicContact CG-CG 4.48Å; E305-R309 WeakPolarHBondContact O-CB 3.23Å; E305-R309 WeakPolarHBondContact O-CG 3.45Å; E305-R309 PolarHBondContact O-N 3.18Å; E305-R309 IonicContact OE1-CZ 2.62Å; E305-R309 VanDerWaalsContact OE1-CZ 3.23Å; E305-R309 IonicContact OE1-NE 3.23Å; E305-R309 PolarHBondContact OE1-NE 3.44Å; E305-R309 IonicContact OE1-NH2 3.23Å; E305-R309 PolarHBondContact OE1-NH2 2.92Å; E305-V370 HydrophobicContact CB-CG1 3.93Å; E305-V370 HydrophobicContact CB-CG2 4.09Å; E305-V370 HydrophobicContact CG-CB 4.33Å; E305-V370 HydrophobicContact CG-CG1 3.85Å; E305-V370 HydrophobicContact CG-CG2 3.65Å; E305-Y372 HydrophobicContact CB-CE2 4.47Å |
| 306 | S | 95.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -66.9 | -39 | 177.3 | -58.9 | 0 | 0 | 0 | 0 | 111.8 | S8 V302 F303 V304 Y310 | S8-S306 WeakPolarHBondContact CB-OG 3.38Å; S8-S306 PolarHBondContact OG-OG 3.27Å; V302-S306 WeakPolarHBondContact O-CB 3.45Å; V302-S306 PolarHBondContact O-N 3.41Å; V302-S306 PolarHBondContact O-OG 2.97Å; F303-S306 PolarHBondContact O-N 3.3Å; V304-S306 VanDerWaalsContact C-N 3.32Å; V304-S306 PolarHBondContact O-N 3.4Å; S306-Y310 WeakPolarHBondContact O-CB 3.48Å; S306-Y310 WeakPolarHBondContact O-CD2 3.39Å; S306-Y310 VanDerWaalsContact O-CG 3.31Å; S306-Y310 PolarHBondContact O-N 3.4Å |
| 307 | V | 95.4 | Very high | 95.5 | Very high | 7 Ų | 7 | 33 Ų | 33 | 4% | 0.042 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -67.8 | -42.9 | 175.4 | 176.4 | 0 | 0 | 0 | 0 | 111.1 | V45 L51 F303 V304 R309 G311 L312 V314 F316 | V45-V307 HydrophobicContact CG1-CG1 3.91Å; L51-V307 HydrophobicContact CD1-CB 4.23Å; L51-V307 HydrophobicContact CD1-CG1 3.62Å; F303-V307 HydrophobicContact CD1-CG2 4.38Å; F303-V307 HydrophobicContact CE1-CG2 4.02Å; F303-V307 HydrophobicContact CZ-CG2 4.18Å; F303-V307 WeakPolarHBondContact O-CG2 3.37Å; F303-V307 PolarHBondContact O-N 2.86Å; V304-V307 PolarHBondContact O-N 3.38Å; V307-R309 VanDerWaalsContact C-N 3.32Å; V307-R309 PolarHBondContact O-N 3.32Å; V307-G311 VanDerWaalsContact O-CA 3.31Å; V307-G311 WeakPolarHBondContact O-CA 3.45Å; V307-G311 PolarHBondContact O-N 2.72Å; V307-L312 HydrophobicContact CG1-CD2 3.97Å; V307-L312 HydrophobicContact CG1-CG 4.38Å; V307-V314 HydrophobicContact CG2-CG2 4.05Å; V307-F316 HydrophobicContact CG2-CE1 4.38Å |
| 308 | L | 94.6 | Very high | 95.4 | Very high | 50 Ų | 50 | 33.1 Ų | 33.1 | 26% | 0.262 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -62.6 | -37.7 | 178.3 | -71.7 | 175.6 | 0 | 0 | 0 | 112.4 | L48 L51 V52 V304 E305 | L48-L308 HydrophobicContact CD1-CD2 3.53Å; L51-L308 HydrophobicContact CB-CD2 3.71Å; L51-L308 HydrophobicContact CB-CG 4.16Å; L51-L308 HydrophobicContact CD1-CD2 4.43Å; V52-L308 HydrophobicContact CG2-CD2 3.92Å; V304-L308 HydrophobicContact CG1-CD1 3.87Å; V304-L308 HydrophobicContact CG1-CG 4.4Å; V304-L308 WeakPolarHBondContact O-CG 3.4Å; V304-L308 PolarHBondContact O-N 3.09Å; E305-L308 PolarHBondContact O-N 2.82Å |
| 309 | R | 92.6 | Very high | 95.4 | Very high | 76 Ų | 76 | 32.7 Ų | 32.7 | 29% | 0.287 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -84.3 | -38.2 | -179.6 | -68.7 | -170.6 | -169.7 | -159.9 | 0.8 | 114.4 | E305 V307 Y367 Y369 | E305-R309 HydrophobicContact CG-CG 4.48Å; E305-R309 WeakPolarHBondContact O-CB 3.23Å; E305-R309 WeakPolarHBondContact O-CG 3.45Å; E305-R309 PolarHBondContact O-N 3.18Å; E305-R309 IonicContact OE1-CZ 2.62Å; E305-R309 VanDerWaalsContact OE1-CZ 3.23Å; E305-R309 IonicContact OE1-NE 3.23Å; E305-R309 PolarHBondContact OE1-NE 3.44Å; E305-R309 IonicContact OE1-NH2 3.23Å; E305-R309 PolarHBondContact OE1-NH2 2.92Å; V307-R309 VanDerWaalsContact C-N 3.32Å; V307-R309 PolarHBondContact O-N 3.32Å; R309-Y367 PolarHBondContact NH1-O 3.46Å; R309-Y369 PolarHBondContact NH1-O 2.78Å |
| 310 | Y | 92.9 | Very high | 95.4 | Very high | 48 Ų | 48 | 32.8 Ų | 32.8 | 19% | 0.188 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -105.6 | -8 | -169.9 | -48.2 | -39.1 | 0 | 0 | 0 | 113.4 | S8 P10 S306 F316 L342 V370 | S8-Y310 PolarHBondContact O-OH 2.91Å; P10-Y310 HydrophobicContact CB-CD1 4.09Å; P10-Y310 HydrophobicContact CB-CD2 4.23Å; P10-Y310 HydrophobicContact CB-CG 3.9Å; P10-Y310 HydrophobicContact CG-CD1 4.09Å; P10-Y310 HydrophobicContact CG-CE1 4.22Å; P10-Y310 HydrophobicContact CG-CG 4.39Å; S306-Y310 WeakPolarHBondContact O-CB 3.48Å; S306-Y310 WeakPolarHBondContact O-CD2 3.39Å; S306-Y310 VanDerWaalsContact O-CG 3.31Å; S306-Y310 PolarHBondContact O-N 3.4Å; Y310-F316 HydrophobicContact CD2-CB 3.77Å; Y310-F316 HydrophobicContact CE2-CB 4.16Å; Y310-L342 HydrophobicContact CE1-CD1 4.31Å; Y310-V370 HydrophobicContact CE2-CG2 4.17Å; Y310-V370 PolarHBondContact OH-N 2.96Å |
| 311 | G | 91.4 | Very high | 95.3 | Very high | 32 Ų | 32 | 32.8 Ų | 32.8 | 33% | 0.33 | 18% | 0.177 | S | C | . | . | trans | 76.8 | -163.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | V307 | V307-G311 VanDerWaalsContact O-CA 3.31Å; V307-G311 WeakPolarHBondContact O-CA 3.45Å; V307-G311 PolarHBondContact O-N 2.72Å | ||
| 312 | L | 90.2 | Very high | 95.1 | Very high | 118 Ų | 118 | 34.6 Ų | 34.6 | 62% | 0.618 | 19% | 0.186 | S | C | * | . | S | Bend | trans | -117.6 | 150.6 | 179.3 | -68.1 | 177 | 0 | 0 | 0 | 111.2 | V45 V307 V314 | V45-L312 HydrophobicContact CG1-CD1 4.38Å; V45-L312 HydrophobicContact CG1-CD2 4.11Å; V45-L312 HydrophobicContact CG2-CD2 4.16Å; V307-L312 HydrophobicContact CG1-CD2 3.97Å; V307-L312 HydrophobicContact CG1-CG 4.38Å; L312-V314 HydrophobicContact CD2-CG2 3.74Å |
| 313 | P | 91.3 | Very high | 94.9 | Very high | 114 Ų | 114 | 35.3 Ų | 35.3 | 74% | 0.74 | 19% | 0.191 | S | C | * | . | S | Bend | cis | -66.7 | 156.9 | -2.6 | 30.5 | -36.6 | 0 | 0 | 0 | 112.7 | N315 | P313-N315 PolarHBondContact O-N 2.99Š|
| 314 | V | 92 | Very high | 94.7 | Very high | 60 Ų | 60 | 38.3 Ų | 38.3 | 36% | 0.364 | 21% | 0.207 | S | C | . | . | trans | -57.6 | 112.7 | -178.8 | -179.3 | 0 | 0 | 0 | 0 | 109.8 | V45 F303 V307 L312 F316 | V45-V314 HydrophobicContact CG2-CG2 3.65Å; F303-V314 HydrophobicContact CE2-CG1 4.42Å; F303-V314 HydrophobicContact CZ-CG2 4.5Å; V307-V314 HydrophobicContact CG2-CG2 4.05Å; L312-V314 HydrophobicContact CD2-CG2 3.74Å; V314-F316 HydrophobicContact CG1-CD1 3.67Å; V314-F316 HydrophobicContact CG1-CE1 3.45Å; V314-F316 VanDerWaalsContact CG1-CE1 3.45Å; V314-F316 HydrophobicContact CG1-CZ 4.42Å | ||
| 315 | N | 93.9 | Very high | 94.3 | Very high | 68 Ų | 68 | 44.7 Ų | 44.7 | 36% | 0.364 | 24% | 0.235 | S | C | . | . | trans | -144.2 | 77.2 | -178.3 | 179.2 | 31.2 | 0 | 0 | 0 | 110.5 | P10 G11 P313 | P10-N315 WeakPolarHBondContact CA-O 3.47Å; G11-N315 WeakPolarHBondContact CA-OD1 3.24Å; G11-N315 PolarHBondContact N-O 3.36Å; G11-N315 PolarHBondContact O-ND2 3.42Å; P313-N315 PolarHBondContact O-N 2.99Å | ||
| 316 | F | 96 | Very high | 94 | Very high | 25 Ų | 25 | 52.6 Ų | 52.6 | 11% | 0.11 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 161.5 | 177 | 70.6 | -101.4 | 0 | 0 | 0 | 111.7 | S8 A9 C15 I40 V302 F303 V307 Y310 V314 A318 | S8-F316 WeakPolarHBondContact OG-CD2 3.33Å; A9-F316 CarbonylContact O-C 3.55Å; A9-F316 WeakPolarHBondContact O-CA 2.89Å; C15-F316 PolarHBondContact SG-O 3.21Å; I40-F316 HydrophobicContact CD1-CE2 4.37Å; V302-F316 HydrophobicContact CG1-CE2 4.44Å; F303-F316 HydrophobicContact CB-CZ 4.43Å; F303-F316 HydrophobicContact CD2-CE1 4.12Å; F303-F316 AromaticContact CD2-CZ 3.75Å; F303-F316 HydrophobicContact CD2-CZ 3.75Å; F303-F316 HydrophobicContact CE2-CE1 4.42Å; F303-F316 HydrophobicContact CE2-CZ 4.41Å; F303-F316 HydrophobicContact CG-CZ 4.38Å; V307-F316 HydrophobicContact CG2-CE1 4.38Å; Y310-F316 HydrophobicContact CD2-CB 3.77Å; Y310-F316 HydrophobicContact CE2-CB 4.16Å; V314-F316 HydrophobicContact CG1-CD1 3.67Å; V314-F316 HydrophobicContact CG1-CE1 3.45Å; V314-F316 VanDerWaalsContact CG1-CE1 3.45Å; V314-F316 HydrophobicContact CG1-CZ 4.42Å; F316-A318 HydrophobicContact CE2-CB 4.27Å |
| 317 | Q | 97 | Very high | 93.8 | Very high | 22 Ų | 22 | 54 Ų | 54 | 10% | 0.103 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 110.2 | 175.7 | -178.4 | 59 | 76.2 | 0 | 0 | 109.8 | S8 A9 C15 T18 W19 M319 | S8-Q317 WeakPolarHBondContact CA-O 3.12Å; A9-Q317 PolarHBondContact N-O 2.87Å; A9-Q317 PolarHBondContact O-N 2.86Å; C15-Q317 HydrophobicContact CB-CB 3.98Å; C15-Q317 HydrophobicContact CB-CG 4.47Å; C15-Q317 PolarHBondContact O-OE1 2.9Å; T18-Q317 HydrophobicContact CG2-CB 4.26Å; W19-Q317 HydrophobicContact CB-CG 4.1Å; Q317-M319 HydrophobicContact CB-CE 4.46Å; Q317-M319 HydrophobicContact CG-CE 4.32Å; Q317-M319 HydrophobicContact CG-CG 3.75Å; Q317-M319 HydrophobicContact CG-SD 3.85Å; Q317-M319 WeakPolarHBondContact O-CE 3.23Å |
| 318 | A | 98 | Very high | 93.6 | Very high | 3 Ų | 3 | 56.4 Ų | 56.4 | 3% | 0.025 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 135.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | I7 F38 I40 V302 F316 | I7-A318 CarbonylContact O-C 3.13Å; I7-A318 WeakPolarHBondContact O-CA 3.26Å; F38-A318 HydrophobicContact CB-CB 4.25Å; F38-A318 HydrophobicContact CD1-CB 4.37Å; F38-A318 PolarHBondContact N-O 3.34Å; F38-A318 WeakPolarHBondContact O-CB 2.76Å; I40-A318 HydrophobicContact CD1-CB 3.8Å; I40-A318 HydrophobicContact CG1-CB 4.31Å; V302-A318 HydrophobicContact CG1-CB 3.87Å; F316-A318 HydrophobicContact CE2-CB 4.27Å |
| 319 | M | 97.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 138.7 | -171.5 | -60.1 | 170.7 | -77 | 0 | 0 | 109.4 | I7 A9 T18 W19 L22 Q317 L321 | I7-M319 HydrophobicContact CD1-CE 4.41Å; I7-M319 HydrophobicContact CG1-CB 4.14Å; I7-M319 HydrophobicContact CG1-CE 4.36Å; I7-M319 PolarHBondContact N-O 3.04Å; I7-M319 PolarHBondContact O-N 3.46Å; A9-M319 HydrophobicContact CB-CE 4.23Å; T18-M319 HydrophobicContact CG2-CE 4.23Å; W19-M319 HydrophobicContact CB-SD 4.45Å; W19-M319 HydrophobicContact CE3-CB 4.44Å; W19-M319 HydrophobicContact CE3-CG 3.75Å; W19-M319 HydrophobicContact CE3-SD 3.74Å; W19-M319 HydrophobicContact CZ3-CB 4.38Å; W19-M319 HydrophobicContact CZ3-CG 4.17Å; W19-M319 HydrophobicContact CZ3-SD 4.45Å; L22-M319 HydrophobicContact CB-CE 4.46Å; L22-M319 HydrophobicContact CB-SD 3.94Å; L22-M319 HydrophobicContact CD2-CB 3.87Å; L22-M319 HydrophobicContact CD2-CE 3.94Å; L22-M319 HydrophobicContact CD2-CG 4.15Å; L22-M319 HydrophobicContact CD2-SD 3.32Å; L22-M319 WeakPolarHBondContact CD2-SD 3.49Å; L22-M319 HydrophobicContact CG-SD 4.19Å; Q317-M319 HydrophobicContact CB-CE 4.46Å; Q317-M319 HydrophobicContact CG-CE 4.32Å; Q317-M319 HydrophobicContact CG-CG 3.75Å; Q317-M319 HydrophobicContact CG-SD 3.85Å; Q317-M319 WeakPolarHBondContact O-CE 3.23Å; M319-L321 HydrophobicContact CB-CD1 4.27Å |
| 320 | L | 97.6 | Very high | 93.6 | Very high | 2 Ų | 2 | 63 Ų | 63 | 1% | 0.01 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 128.5 | 176.4 | -171.9 | 81.2 | 0 | 0 | 0 | 109 | F4 L6 T35 S36 F38 I102 T103 I374 | F4-L320 HydrophobicContact CB-CD1 3.82Å; F4-L320 HydrophobicContact CB-CG 4.37Å; F4-L320 HydrophobicContact CD1-CD1 4.18Å; F4-L320 HydrophobicContact CD1-CD2 3.71Å; F4-L320 HydrophobicContact CD1-CG 3.88Å; F4-L320 HydrophobicContact CE1-CD2 4.04Å; F4-L320 HydrophobicContact CG-CD1 4.26Å; F4-L320 HydrophobicContact CG-CD2 4.46Å; F4-L320 HydrophobicContact CG-CG 4.46Å; L6-L320 HydrophobicContact CB-CD1 4.34Å; L6-L320 HydrophobicContact CD1-CD1 4.31Å; T35-L320 CarbonylContact C-O 3.46Å; T35-L320 WeakPolarHBondContact CA-O 3.38Å; S36-L320 PolarHBondContact N-O 3.2Å; S36-L320 PolarHBondContact O-N 3.26Å; F38-L320 HydrophobicContact CB-CB 4.44Å; I102-L320 HydrophobicContact CG2-CD1 3.69Å; I102-L320 HydrophobicContact CG2-CD2 3.58Å; I102-L320 HydrophobicContact CG2-CG 4.28Å; T103-L320 HydrophobicContact CG2-CD2 3.99Å; L320-I374 HydrophobicContact CD1-CD1 4.47Å |
| 321 | L | 96.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 132.1 | 174.4 | -65.8 | 70.9 | 0 | 0 | 0 | 108 | F4 W5 I7 L22 T26 A33 V34 T35 M319 P323 L331 L335 | F4-L321 CarbonylContact C-O 3.36Å; F4-L321 WeakPolarHBondContact CA-O 3.3Å; W5-L321 HydrophobicContact CB-CB 4.25Å; W5-L321 PolarHBondContact N-O 2.75Å; W5-L321 PolarHBondContact O-N 3.23Å; I7-L321 HydrophobicContact CD1-CD1 3.57Å; I7-L321 HydrophobicContact CD1-CD2 4.34Å; I7-L321 HydrophobicContact CG1-CD1 3.6Å; I7-L321 HydrophobicContact CG2-CD1 4.41Å; L22-L321 HydrophobicContact CD2-CD1 3.91Å; L22-L321 HydrophobicContact CD2-CG 4.4Å; T26-L321 HydrophobicContact CG2-CD2 4.34Å; A33-L321 HydrophobicContact CB-CB 4.14Å; A33-L321 HydrophobicContact CB-CD2 4.44Å; V34-L321 CarbonylContact O-C 3.56Å; T35-L321 HydrophobicContact CG2-CG 3.98Å; M319-L321 HydrophobicContact CB-CD1 4.27Å; L321-P323 WeakPolarHBondContact O-CD 3.36Å; L321-L331 HydrophobicContact CD2-CD1 4.21Å; L321-L331 HydrophobicContact CD2-CD2 4.48Å; L321-L335 HydrophobicContact CD2-CD1 4.22Å; L321-L335 HydrophobicContact CD2-CD2 4.17Å |
| 322 | Q | 94.9 | Very high | 93.8 | Very high | 62 Ų | 62 | 61.4 Ų | 61.4 | 29% | 0.29 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 97.2 | 164.8 | -174 | -178.4 | -12.7 | 0 | 0 | 107.5 | T2 F4 A33 V34 | T2-Q322 HydrophobicContact CG2-CG 4.08Å; F4-Q322 HydrophobicContact CD1-CB 3.82Å; F4-Q322 HydrophobicContact CD1-CG 4.22Å; F4-Q322 HydrophobicContact CE1-CB 3.73Å; F4-Q322 HydrophobicContact CE1-CG 3.89Å; F4-Q322 HydrophobicContact CZ-CG 4.47Å; A33-Q322 CarbonylContact C-O 3.4Å; A33-Q322 VanDerWaalsContact CA-O 3.23Å; A33-Q322 WeakPolarHBondContact CA-O 3.32Å; A33-Q322 WeakPolarHBondContact CB-O 3.49Å; V34-Q322 HydrophobicContact CB-CB 4.26Å; V34-Q322 PolarHBondContact N-O 3.12Å; V34-Q322 PolarHBondContact O-N 2.78Å |
| 323 | P | 94.3 | Very high | 94 | Very high | 16 Ų | 16 | 59.9 Ų | 59.9 | 10% | 0.104 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 144.6 | -174.7 | -21 | 35 | 0 | 0 | 0 | 112.3 | E3 W5 L321 K325 L328 L331 | E3-P323 VanDerWaalsContact O-CD 3.26Å; E3-P323 WeakPolarHBondContact O-CD 3.14Å; W5-P323 HydrophobicContact CD2-CG 3.49Å; W5-P323 VanDerWaalsContact CD2-CG 3.49Å; W5-P323 VanDerWaalsContact CE2-CG 3.48Å; W5-P323 HydrophobicContact CE3-CG 4.03Å; W5-P323 HydrophobicContact CG-CG 3.74Å; W5-P323 HydrophobicContact CH2-CG 4.41Å; W5-P323 HydrophobicContact CZ2-CB 4.4Å; W5-P323 HydrophobicContact CZ2-CG 3.97Å; W5-P323 HydrophobicContact CZ3-CG 4.47Å; L321-P323 WeakPolarHBondContact O-CD 3.36Å; P323-K325 PolarHBondContact O-N 2.98Å; P323-L328 HydrophobicContact CB-CD2 3.42Å; P323-L328 VanDerWaalsContact CB-CD2 3.42Å; P323-L328 HydrophobicContact CG-CD2 4.19Å; P323-L331 HydrophobicContact CB-CD2 3.67Å; P323-L331 HydrophobicContact CG-CD2 3.95Å |
| 324 | N | 92 | Very high | 94.2 | Very high | 67 Ų | 67 | 55.2 Ų | 55.2 | 36% | 0.358 | 26% | 0.262 | S | S | . | . | trans | -76.4 | 122.3 | 164.2 | -180 | -13.6 | 0 | 0 | 0 | 109.1 | L32 K326 T327 L328 | L32-N324 WeakPolarHBondContact O-CB 3.43Å; L32-N324 PolarHBondContact O-N 2.94Å; N324-K326 PolarHBondContact O-N 3.26Å; N324-K326 PolarHBondContact OD1-N 3.33Å; N324-K326 VanDerWaalsContact OD1-N 3.09Å; N324-T327 WeakPolarHBondContact CB-OG1 2.94Å; N324-T327 PolarHBondContact O-N 2.86Å; N324-T327 PolarHBondContact O-OG1 3.42Å; N324-L328 PolarHBondContact O-N 3.37Å | ||
| 325 | K | 89.3 | Confident | 94.4 | Very high | 136 Ų | 136 | 52.4 Ų | 52.4 | 59% | 0.591 | 24% | 0.244 | S | C | * | . | G | 310 helix | trans | -53.8 | -31.6 | -177.5 | -67.3 | -170.8 | 176.9 | -169.8 | 0 | 113.4 | M1 P323 T327 | M1-K325 VanDerWaalsContact O-CE 3.24Å; M1-K325 WeakPolarHBondContact O-CE 3.21Å; M1-K325 PolarHBondContact O-NZ 3.38Å; M1-K325 VanDerWaalsContact O-NZ 3.13Å; P323-K325 PolarHBondContact O-N 2.98Å; K325-T327 VanDerWaalsContact C-N 3.3Å; K325-T327 PolarHBondContact O-N 2.81Å |
| 326 | K | 91 | Very high | 94.4 | Very high | 198 Ų | 198 | 53.5 Ų | 53.5 | 86% | 0.861 | 25% | 0.247 | S | C | * | . | G | 310 helix | trans | -74.4 | -19 | -178.7 | -62.6 | -175.8 | -179.8 | -178.8 | 0 | 113.4 | N324 | N324-K326 PolarHBondContact O-N 3.26Å; N324-K326 PolarHBondContact OD1-N 3.33Å; N324-K326 VanDerWaalsContact OD1-N 3.09Å |
| 327 | T | 90.9 | Very high | 94.3 | Very high | 29 Ų | 29 | 57.7 Ų | 57.7 | 18% | 0.178 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -124.5 | 19.6 | -170.5 | 58.8 | 0 | 0 | 0 | 0 | 113 | L32 N324 K325 K329 K330 L331 | L32-T327 HydrophobicContact CD2-CG2 4.14Å; L32-T327 PolarHBondContact O-OG1 2.84Å; N324-T327 WeakPolarHBondContact CB-OG1 2.94Å; N324-T327 PolarHBondContact O-N 2.86Å; N324-T327 PolarHBondContact O-OG1 3.42Å; K325-T327 VanDerWaalsContact C-N 3.3Å; K325-T327 PolarHBondContact O-N 2.81Å; T327-K329 PolarHBondContact O-N 2.83Å; T327-K330 PolarHBondContact O-N 2.96Å; T327-K330 VanDerWaalsContact O-N 3.15Å; T327-L331 PolarHBondContact O-N 2.77Å |
| 328 | L | 91.6 | Very high | 94.1 | Very high | 59 Ų | 59 | 57.8 Ų | 57.8 | 31% | 0.309 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -53.6 | -48.3 | -178.6 | -70.5 | 170.8 | 0 | 0 | 0 | 112.8 | W5 P323 N324 K330 L331 R332 | W5-L328 HydrophobicContact CH2-CD2 4.07Å; W5-L328 HydrophobicContact CZ2-CD2 3.62Å; P323-L328 HydrophobicContact CB-CD2 3.42Å; P323-L328 VanDerWaalsContact CB-CD2 3.42Å; P323-L328 HydrophobicContact CG-CD2 4.19Å; N324-L328 PolarHBondContact O-N 3.37Å; L328-K330 PolarHBondContact O-N 3.27Å; L328-L331 PolarHBondContact O-N 2.81Å; L328-R332 PolarHBondContact O-N 2.76Å |
| 329 | K | 92.3 | Very high | 94 | Very high | 164 Ų | 164 | 57.8 Ų | 57.8 | 71% | 0.713 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -60.1 | -46.1 | 178.3 | -173.3 | -178.8 | 176.6 | -178.3 | 0 | 111.4 | T327 L331 R332 E333 | T327-K329 PolarHBondContact O-N 2.83Å; K329-L331 VanDerWaalsContact C-N 3.34Å; K329-L331 PolarHBondContact O-N 2.78Å; K329-R332 WeakPolarHBondContact O-CB 3.34Å; K329-R332 PolarHBondContact O-N 2.8Å; K329-E333 WeakPolarHBondContact O-CG 3.43Å; K329-E333 PolarHBondContact O-N 3.1Å |
| 330 | K | 94.3 | Very high | 93.7 | Very high | 100 Ų | 100 | 61.8 Ų | 61.8 | 44% | 0.435 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -65.3 | -37.8 | 179 | -173 | 56.4 | 176.2 | 177.5 | 0 | 112.3 | L32 T327 L328 E333 V334 | L32-K330 HydrophobicContact CD1-CG 4.29Å; L32-K330 HydrophobicContact CD2-CB 4.05Å; L32-K330 HydrophobicContact CD2-CG 3.81Å; T327-K330 PolarHBondContact O-N 2.96Å; T327-K330 VanDerWaalsContact O-N 3.15Å; L328-K330 PolarHBondContact O-N 3.27Å; K330-E333 VanDerWaalsContact CD-OE2 3.24Å; K330-E333 WeakPolarHBondContact CD-OE2 3.31Å; K330-E333 IonicContact NZ-OE2 2.68Å; K330-E333 PolarHBondContact NZ-OE2 2.89Å; K330-E333 PolarHBondContact O-N 3.37Å; K330-V334 WeakPolarHBondContact O-CG2 3.31Å; K330-V334 PolarHBondContact O-N 3.1Å |
| 331 | L | 95.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.2 | -44.5 | 174.1 | -178.3 | 60.8 | 0 | 0 | 0 | 111.3 | W5 T26 L32 A33 L321 P323 T327 L328 K329 E333 V334 L335 | W5-L331 HydrophobicContact CE3-CD2 3.73Å; W5-L331 HydrophobicContact CE3-CG 4.27Å; W5-L331 HydrophobicContact CH2-CB 4.46Å; W5-L331 HydrophobicContact CH2-CD2 3.88Å; W5-L331 HydrophobicContact CH2-CG 4.25Å; W5-L331 HydrophobicContact CZ3-CB 4.23Å; W5-L331 HydrophobicContact CZ3-CD2 3.34Å; W5-L331 HydrophobicContact CZ3-CG 3.59Å; T26-L331 HydrophobicContact CG2-CD1 3.71Å; L32-L331 HydrophobicContact CB-CB 4.22Å; L32-L331 HydrophobicContact CB-CD1 3.84Å; L32-L331 HydrophobicContact CD1-CD1 4.32Å; A33-L331 HydrophobicContact CB-CD1 4.3Å; A33-L331 HydrophobicContact CB-CD2 3.93Å; L321-L331 HydrophobicContact CD2-CD1 4.21Å; L321-L331 HydrophobicContact CD2-CD2 4.48Å; P323-L331 HydrophobicContact CB-CD2 3.67Å; P323-L331 HydrophobicContact CG-CD2 3.95Å; T327-L331 PolarHBondContact O-N 2.77Å; L328-L331 PolarHBondContact O-N 2.81Å; K329-L331 VanDerWaalsContact C-N 3.34Å; K329-L331 PolarHBondContact O-N 2.78Å; L331-E333 PolarHBondContact O-N 3.42Å; L331-V334 PolarHBondContact O-N 2.9Å; L331-L335 HydrophobicContact CD1-CD1 4.32Å; L331-L335 HydrophobicContact CD1-CG 4.27Å; L331-L335 HydrophobicContact CG-CD1 4.14Å; L331-L335 HydrophobicContact CG-CG 4.48Å; L331-L335 VanDerWaalsContact O-CG 3.29Å; L331-L335 WeakPolarHBondContact O-CG 3.49Å; L331-L335 PolarHBondContact O-N 3.39Å |
| 332 | R | 94.7 | Very high | 93 | Very high | 46 Ų | 46 | 66.3 Ų | 66.3 | 17% | 0.174 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.3 | -45.9 | 174.4 | -70.2 | -61.8 | -170.6 | -169.1 | -1.9 | 112.5 | W5 L328 K329 V334 L335 H336 E365 Y367 Y369 Y371 | W5-R332 HydrophobicContact CH2-CG 3.79Å; W5-R332 HydrophobicContact CZ3-CG 4.2Å; L328-R332 PolarHBondContact O-N 2.76Å; K329-R332 WeakPolarHBondContact O-CB 3.34Å; K329-R332 PolarHBondContact O-N 2.8Å; R332-V334 VanDerWaalsContact C-N 3.34Å; R332-V334 PolarHBondContact O-N 3.48Å; R332-L335 PolarHBondContact O-N 3.25Å; R332-H336 WeakPolarHBondContact O-CB 3.2Å; R332-H336 PolarHBondContact O-N 3.39Å; R332-E365 IonicContact NH2-OE2 2.84Å; R332-Y367 VanDerWaalsContact CZ-CZ 3.41Å; R332-Y367 PolarHBondContact NE-OH 2.8Å; R332-Y367 VanDerWaalsContact NH1-CZ 3.33Å; R332-Y367 PolarHBondContact NH2-OH 3.12Å; R332-Y369 PolarHBondContact NH1-OH 3.23Å; R332-Y371 PolarHBondContact NH2-OH 3.02Å |
| 333 | E | 94.2 | Very high | 92.4 | Very high | 86 Ų | 86 | 65.9 Ų | 65.9 | 40% | 0.402 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -58 | -45.5 | 176.7 | -70.1 | 167.9 | -166.6 | 0 | 0 | 111.8 | K329 K330 L331 H336 E337 | K329-E333 WeakPolarHBondContact O-CG 3.43Å; K329-E333 PolarHBondContact O-N 3.1Å; K330-E333 VanDerWaalsContact CD-OE2 3.24Å; K330-E333 WeakPolarHBondContact CD-OE2 3.31Å; K330-E333 IonicContact NZ-OE2 2.68Å; K330-E333 PolarHBondContact NZ-OE2 2.89Å; K330-E333 PolarHBondContact O-N 3.37Å; L331-E333 PolarHBondContact O-N 3.42Å; E333-H336 PolarHBondContact O-N 2.87Å; E333-E337 WeakPolarHBondContact O-CB 3.11Å; E333-E337 PolarHBondContact O-N 3.24Å |
| 334 | V | 95 | Very high | 91.3 | Very high | 17 Ų | 17 | 69.4 Ų | 69.4 | 10% | 0.103 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -64.9 | -43.6 | 178.8 | 169.3 | 0 | 0 | 0 | 0 | 111.6 | A25 L32 K330 L331 R332 E337 L338 | A25-V334 HydrophobicContact CB-CG1 3.82Å; L32-V334 HydrophobicContact CD1-CB 4.14Å; L32-V334 HydrophobicContact CD1-CG1 4.48Å; L32-V334 HydrophobicContact CD1-CG2 3.75Å; K330-V334 WeakPolarHBondContact O-CG2 3.31Å; K330-V334 PolarHBondContact O-N 3.1Å; L331-V334 PolarHBondContact O-N 2.9Å; R332-V334 VanDerWaalsContact C-N 3.34Å; R332-V334 PolarHBondContact O-N 3.48Å; V334-E337 PolarHBondContact O-N 2.99Å; V334-L338 HydrophobicContact CG1-CD1 4.27Å; V334-L338 VanDerWaalsContact O-CG 3.29Å; V334-L338 WeakPolarHBondContact O-CG 3.46Å; V334-L338 PolarHBondContact O-N 3.39Å |
| 335 | L | 95.5 | Very high | 89.6 | Confident | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -64.8 | -41.2 | 176.8 | -66.9 | 175 | 0 | 0 | 0 | 111.8 | W5 I7 L22 L321 L331 R332 L338 Y339 Y369 | W5-L335 HydrophobicContact CE3-CD1 3.91Å; W5-L335 HydrophobicContact CZ3-CD1 3.86Å; I7-L335 HydrophobicContact CD1-CD2 4.07Å; L22-L335 HydrophobicContact CD1-CD2 3.34Å; L321-L335 HydrophobicContact CD2-CD1 4.22Å; L321-L335 HydrophobicContact CD2-CD2 4.17Å; L331-L335 HydrophobicContact CD1-CD1 4.32Å; L331-L335 HydrophobicContact CD1-CG 4.27Å; L331-L335 HydrophobicContact CG-CD1 4.14Å; L331-L335 HydrophobicContact CG-CG 4.48Å; L331-L335 VanDerWaalsContact O-CG 3.29Å; L331-L335 WeakPolarHBondContact O-CG 3.49Å; L331-L335 PolarHBondContact O-N 3.39Å; R332-L335 PolarHBondContact O-N 3.25Å; L335-L338 PolarHBondContact O-N 3.2Å; L335-Y339 HydrophobicContact CD2-CE2 4.14Å; L335-Y339 WeakPolarHBondContact O-CD2 3.33Å; L335-Y339 PolarHBondContact O-N 3.09Å; L335-Y339 VanDerWaalsContact O-N 3.16Å; L335-Y369 HydrophobicContact CB-CE1 3.73Å; L335-Y369 WeakPolarHBondContact CB-OH 3.41Å; L335-Y369 HydrophobicContact CD1-CE2 4.44Å; L335-Y369 VanDerWaalsContact CD1-OH 3.3Å; L335-Y369 WeakPolarHBondContact CD1-OH 3.33Å |
| 336 | H | 93.7 | Very high | 87.9 | Confident | 91 Ų | 91 | 64.3 Ų | 64.3 | 42% | 0.421 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -61.9 | -46.8 | 175.2 | -178.4 | 71.7 | 0 | 0 | 0 | 111 | R332 E333 L338 Y339 K340 | R332-H336 WeakPolarHBondContact O-CB 3.2Å; R332-H336 PolarHBondContact O-N 3.39Å; E333-H336 PolarHBondContact O-N 2.87Å; H336-L338 VanDerWaalsContact C-N 3.3Å; H336-L338 PolarHBondContact O-N 3.32Å; H336-Y339 PolarHBondContact O-N 3.26Å; H336-Y339 VanDerWaalsContact O-N 3.16Å; H336-K340 WeakPolarHBondContact O-CA 3.11Å; H336-K340 VanDerWaalsContact O-CB 3.24Å; H336-K340 WeakPolarHBondContact O-CB 3.45Å; H336-K340 PolarHBondContact O-N 3.32Å |
| 337 | E | 94.1 | Very high | 85.7 | Confident | 113 Ų | 113 | 57.6 Ų | 57.6 | 53% | 0.528 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61.3 | -38.5 | 178.2 | -172.8 | 57.6 | -149.7 | 0 | 0 | 112.6 | E333 V334 Y339 K340 | E333-E337 WeakPolarHBondContact O-CB 3.11Å; E333-E337 PolarHBondContact O-N 3.24Å; V334-E337 PolarHBondContact O-N 2.99Å; E337-Y339 VanDerWaalsContact C-N 3.32Å; E337-Y339 PolarHBondContact O-N 3.3Å; E337-K340 VanDerWaalsContact OE1-CE 3.26Å; E337-K340 WeakPolarHBondContact OE1-CE 3.34Å; E337-K340 IonicContact OE1-NZ 3.91Å; E337-K340 PolarHBondContact OE1-NZ 3.26Å; E337-K340 WeakPolarHBondContact OE2-CE 3.47Å; E337-K340 IonicContact OE2-NZ 2.69Å; E337-K340 PolarHBondContact OE2-NZ 3.19Å |
| 338 | L | 93.8 | Very high | 83.6 | Confident | 24 Ų | 24 | 59.8 Ų | 59.8 | 13% | 0.126 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.9 | -36.1 | 176.8 | -75.8 | 174 | 0 | 0 | 0 | 113 | K21 L22 A25 V334 L335 H336 H341 | K21-L338 HydrophobicContact CD-CD2 4.18Å; K21-L338 HydrophobicContact CG-CD2 3.95Å; L22-L338 HydrophobicContact CD1-CD1 4.18Å; A25-L338 HydrophobicContact CB-CD1 3.74Å; A25-L338 HydrophobicContact CB-CD2 4.19Å; A25-L338 HydrophobicContact CB-CG 4.32Å; V334-L338 HydrophobicContact CG1-CD1 4.27Å; V334-L338 VanDerWaalsContact O-CG 3.29Å; V334-L338 WeakPolarHBondContact O-CG 3.46Å; V334-L338 PolarHBondContact O-N 3.39Å; L335-L338 PolarHBondContact O-N 3.2Å; H336-L338 VanDerWaalsContact C-N 3.3Å; H336-L338 PolarHBondContact O-N 3.32Å; L338-H341 PolarHBondContact O-CE1 3.34Å; L338-H341 PolarHBondContact O-ND1 2.9Å; L338-H341 VanDerWaalsContact O-ND1 3.11Å |
| 339 | Y | 94.6 | Very high | 81.4 | Confident | 3 Ų | 3 | 62.6 Ų | 62.6 | 1% | 0.012 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -122.4 | -3.2 | -163.5 | -60.4 | -55.2 | 0 | 0 | 0 | 115.3 | I7 A9 L22 L335 H336 E337 H341 L342 P368 Y369 | I7-Y339 HydrophobicContact CD1-CE2 4.5Å; A9-Y339 HydrophobicContact CB-CD1 3.99Å; A9-Y339 HydrophobicContact CB-CE1 3.39Å; A9-Y339 HydrophobicContact CB-CE2 4.5Å; L22-Y339 HydrophobicContact CD1-CE2 4.06Å; L335-Y339 HydrophobicContact CD2-CE2 4.14Å; L335-Y339 WeakPolarHBondContact O-CD2 3.33Å; L335-Y339 PolarHBondContact O-N 3.09Å; L335-Y339 VanDerWaalsContact O-N 3.16Å; H336-Y339 PolarHBondContact O-N 3.26Å; H336-Y339 VanDerWaalsContact O-N 3.16Å; E337-Y339 VanDerWaalsContact C-N 3.32Å; E337-Y339 PolarHBondContact O-N 3.3Å; Y339-H341 PolarHBondContact O-N 3.12Å; Y339-L342 HydrophobicContact CD1-CD1 4.15Å; Y339-L342 HydrophobicContact CG-CD1 4.42Å; Y339-L342 VanDerWaalsContact O-CB 3.26Å; Y339-L342 WeakPolarHBondContact O-CB 3.42Å; Y339-L342 VanDerWaalsContact O-CG 3.31Å; Y339-L342 WeakPolarHBondContact O-CG 3.45Å; Y339-L342 PolarHBondContact O-N 2.99Å; Y339-P368 WeakPolarHBondContact O-CB 3.49Å; Y339-Y369 AromaticContact CD2-CD1 3.51Å; Y339-Y369 HydrophobicContact CD2-CD1 3.51Å; Y339-Y369 HydrophobicContact CD2-CE1 4.13Å; Y339-Y369 AromaticContact CD2-CG 3.89Å; Y339-Y369 HydrophobicContact CD2-CG 3.89Å; Y339-Y369 HydrophobicContact CE2-CD1 4.48Å; Y339-Y369 AromaticContact CG-CD1 4Å; Y339-Y369 HydrophobicContact CG-CD1 4Å; Y339-Y369 HydrophobicContact CG-CG 4.4Å |
| 340 | K | 92.6 | Very high | 78.9 | Confident | 85 Ų | 85 | 60.5 Ų | 60.5 | 37% | 0.37 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -26.3 | 178.1 | 63.3 | -178.3 | -179.6 | -170.4 | 0 | 114.3 | H336 E337 L342 D343 | H336-K340 WeakPolarHBondContact O-CA 3.11Å; H336-K340 VanDerWaalsContact O-CB 3.24Å; H336-K340 WeakPolarHBondContact O-CB 3.45Å; H336-K340 PolarHBondContact O-N 3.32Å; E337-K340 VanDerWaalsContact OE1-CE 3.26Å; E337-K340 WeakPolarHBondContact OE1-CE 3.34Å; E337-K340 IonicContact OE1-NZ 3.91Å; E337-K340 PolarHBondContact OE1-NZ 3.26Å; E337-K340 WeakPolarHBondContact OE2-CE 3.47Å; E337-K340 IonicContact OE2-NZ 2.69Å; E337-K340 PolarHBondContact OE2-NZ 3.19Å; K340-L342 PolarHBondContact O-N 3.19Å; K340-D343 WeakPolarHBondContact O-CB 3.32Å; K340-D343 PolarHBondContact O-N 3.05Å |
| 341 | H | 90.5 | Very high | 76.1 | Confident | 79 Ų | 79 | 62.8 Ų | 62.8 | 37% | 0.366 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -64.7 | -22 | 176.6 | 66.7 | -86.9 | 0 | 0 | 0 | 112.9 | L338 Y339 D343 S344 | L338-H341 PolarHBondContact O-CE1 3.34Å; L338-H341 PolarHBondContact O-ND1 2.9Å; L338-H341 VanDerWaalsContact O-ND1 3.11Å; Y339-H341 PolarHBondContact O-N 3.12Å; H341-D343 VanDerWaalsContact C-N 3.26Å; H341-D343 PolarHBondContact O-N 3.42Å; H341-S344 PolarHBondContact O-N 2.89Å |
| 342 | L | 89.3 | Confident | 73.3 | Confident | 17 Ų | 17 | 65.7 Ų | 65.7 | 9% | 0.089 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -68.4 | -24.2 | 176.8 | -59.3 | 179.6 | 0 | 0 | 0 | 112.4 | P10 Y310 Y339 K340 S344 S345 A346 P368 | P10-L342 HydrophobicContact CG-CD1 4.19Å; P10-L342 HydrophobicContact CG-CD2 3.56Å; Y310-L342 HydrophobicContact CE1-CD1 4.31Å; Y339-L342 HydrophobicContact CD1-CD1 4.15Å; Y339-L342 HydrophobicContact CG-CD1 4.42Å; Y339-L342 VanDerWaalsContact O-CB 3.26Å; Y339-L342 WeakPolarHBondContact O-CB 3.42Å; Y339-L342 VanDerWaalsContact O-CG 3.31Å; Y339-L342 WeakPolarHBondContact O-CG 3.45Å; Y339-L342 PolarHBondContact O-N 2.99Å; K340-L342 PolarHBondContact O-N 3.19Å; L342-S344 VanDerWaalsContact C-N 3.33Å; L342-S344 PolarHBondContact O-N 3.07Å; L342-S345 PolarHBondContact O-N 3.35Å; L342-A346 PolarHBondContact O-N 3.13Å; L342-P368 HydrophobicContact CB-CB 4.16Å; L342-P368 WeakPolarHBondContact CB-O 3.45Å; L342-P368 WeakPolarHBondContact CD1-O 3.5Å |
| 343 | D | 82.4 | Confident | 70.3 | Confident | 53 Ų | 53 | 69.7 Ų | 69.7 | 28% | 0.283 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -64.8 | -38.8 | 176 | -68.5 | -20 | 0 | 0 | 0 | 111.2 | K340 H341 S345 A346 A347 Y366 P368 | K340-D343 WeakPolarHBondContact O-CB 3.32Å; K340-D343 PolarHBondContact O-N 3.05Å; H341-D343 VanDerWaalsContact C-N 3.26Å; H341-D343 PolarHBondContact O-N 3.42Å; D343-S345 VanDerWaalsContact C-N 3.31Å; D343-S345 PolarHBondContact O-N 2.96Å; D343-A346 PolarHBondContact O-N 3.46Å; D343-A347 PolarHBondContact O-N 3.19Å; D343-Y366 WeakPolarHBondContact OD1-CE1 3.27Å; D343-Y366 PolarHBondContact OD1-OH 3Å; D343-P368 WeakPolarHBondContact OD1-CA 3.09Å; D343-P368 VanDerWaalsContact OD1-CB 3.25Å; D343-P368 WeakPolarHBondContact OD1-CB 3.35Å; D343-P368 WeakPolarHBondContact OD1-CG 3.4Å |
| 344 | S | 69.7 | Low | 67.6 | Low | 90 Ų | 90 | 72 Ų | 72 | 63% | 0.629 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -67.7 | -32.5 | 176.1 | -53.9 | 0 | 0 | 0 | 0 | 112.1 | H341 L342 A348 | H341-S344 PolarHBondContact O-N 2.89Å; L342-S344 VanDerWaalsContact C-N 3.33Å; L342-S344 PolarHBondContact O-N 3.07Å; S344-A348 PolarHBondContact O-N 3.05Å |
| 345 | S | 57.8 | Low | 64.8 | Low | 65 Ų | 65 | 79 Ų | 79 | 46% | 0.455 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -73.7 | -37.7 | 174.9 | -60.2 | 0 | 0 | 0 | 0 | 112.7 | L342 D343 A348 I349 | L342-S345 PolarHBondContact O-N 3.35Å; D343-S345 VanDerWaalsContact C-N 3.31Å; D343-S345 PolarHBondContact O-N 2.96Å; S345-A348 PolarHBondContact O-N 2.87Å; S345-I349 PolarHBondContact O-N 3.04Å |
| 346 | A | 52 | Low | 62.3 | Low | 32 Ų | 32 | 83.6 Ų | 83.6 | 26% | 0.264 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -67.4 | -41.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L342 D343 A348 I349 I350 | L342-A346 PolarHBondContact O-N 3.13Å; D343-A346 PolarHBondContact O-N 3.46Å; A346-A348 VanDerWaalsContact C-N 3.3Å; A346-A348 PolarHBondContact O-N 2.75Å; A346-I349 PolarHBondContact O-N 3.18Å; A346-I350 WeakPolarHBondContact O-CD1 3.29Å; A346-I350 VanDerWaalsContact O-CG1 3.28Å; A346-I350 WeakPolarHBondContact O-CG1 3.41Å; A346-I350 PolarHBondContact O-N 2.83Å; A346-I350 VanDerWaalsContact O-N 3.13Å |
| 347 | A | 46.7 | Very low | 59.4 | Low | 56 Ų | 56 | 85.3 Ų | 85.3 | 46% | 0.463 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.6 | -38.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | D343 I349 I350 D351 | D343-A347 PolarHBondContact O-N 3.19Å; A347-I349 VanDerWaalsContact C-N 3.28Å; A347-I349 PolarHBondContact O-N 2.96Å; A347-I350 PolarHBondContact O-N 2.78Å; A347-D351 PolarHBondContact O-N 2.63Å |
| 348 | A | 46.6 | Very low | 57.1 | Low | 76 Ų | 76 | 83.4 Ų | 83.4 | 63% | 0.628 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -67.8 | -22.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | S344 S345 A346 | S344-A348 PolarHBondContact O-N 3.05Å; S345-A348 PolarHBondContact O-N 2.87Å; A346-A348 VanDerWaalsContact C-N 3.3Å; A346-A348 PolarHBondContact O-N 2.75Å |
| 349 | I | 45.8 | Very low | 54.5 | Low | 118 Ų | 118 | 88.1 Ų | 88.1 | 61% | 0.605 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -84.6 | -31.5 | 173.8 | -62 | 168.9 | 0 | 0 | 0 | 110.7 | S345 A346 A347 | S345-I349 PolarHBondContact O-N 3.04Å; A346-I349 PolarHBondContact O-N 3.18Å; A347-I349 VanDerWaalsContact C-N 3.28Å; A347-I349 PolarHBondContact O-N 2.96Å |
| 350 | I | 39.7 | Very low | 51.9 | Low | 120 Ų | 120 | 95.1 Ų | 95.1 | 62% | 0.615 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -83.2 | -14 | -177.8 | -63.4 | 167 | 0 | 0 | 0 | 112.5 | A346 A347 A352 | A346-I350 WeakPolarHBondContact O-CD1 3.29Å; A346-I350 VanDerWaalsContact O-CG1 3.28Å; A346-I350 WeakPolarHBondContact O-CG1 3.41Å; A346-I350 PolarHBondContact O-N 2.83Å; A346-I350 VanDerWaalsContact O-N 3.13Å; A347-I350 PolarHBondContact O-N 2.78Å; I350-A352 CarbonylContact O-C 3.59Å; I350-A352 PolarHBondContact O-N 2.97Å |
| 351 | D | 34.2 | Very low | 49.6 | Very low | 147 Ų | 147 | 95.9 Ų | 95.9 | 79% | 0.786 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.6 | 6.4 | 173.9 | -106.4 | -7.2 | 0 | 0 | 0 | 114.5 | A347 P353 | A347-D351 PolarHBondContact O-N 2.63Å; D351-P353 WeakPolarHBondContact O-CD 3.43Å |
| 352 | A | 35.8 | Very low | 47.1 | Very low | 62 Ų | 62 | 97 Ų | 97 | 51% | 0.512 | 59% | 0.594 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79.8 | 110.4 | 149.4 | 0 | 0 | 0 | 0 | 0 | 106.9 | I350 M354 | I350-A352 CarbonylContact O-C 3.59Å; I350-A352 PolarHBondContact O-N 2.97Å; A352-M354 VanDerWaalsContact C-N 3.29Å; A352-M354 PolarHBondContact O-N 2.92Å |
| 353 | P | 32.2 | Very low | 45 | Very low | 130 Ų | 130 | 105 Ų | 105 | 84% | 0.844 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.8 | 91.2 | -169.6 | 27.8 | -34.4 | 0 | 0 | 0 | 109.8 | D351 | D351-P353 WeakPolarHBondContact O-CD 3.43Š|
| 354 | M | 37.2 | Very low | 43.7 | Very low | 135 Ų | 135 | 109.4 Ų | 109.4 | 67% | 0.665 | 65% | 0.65 | S | S | * | * | trans | -119 | 84.4 | 166.5 | -71.1 | -156.6 | 72.4 | 0 | 0 | 105.7 | A352 I356 | A352-M354 VanDerWaalsContact C-N 3.29Å; A352-M354 PolarHBondContact O-N 2.92Å; M354-I356 HydrophobicContact CB-CD1 4.34Å; M354-I356 HydrophobicContact CB-CG1 3.89Å; M354-I356 HydrophobicContact CE-CD1 4.34Å; M354-I356 HydrophobicContact CE-CG1 4.18Å; M354-I356 PolarHBondContact O-N 3.39Å | ||
| 355 | D | 36.2 | Very low | 43.7 | Very low | 163 Ų | 163 | 111.6 Ų | 111.6 | 87% | 0.872 | 65% | 0.65 | S | S | * | * | trans | -56.6 | 98.4 | 149.9 | -86.3 | -36.1 | 0 | 0 | 0 | 106.1 | P357 | D355-P357 VanDerWaalsContact O-CD 3.26Å; D355-P357 WeakPolarHBondContact O-CD 3.43Å | ||
| 356 | I | 43.3 | Very low | 44.9 | Very low | 97 Ų | 97 | 114.2 Ų | 114.2 | 50% | 0.497 | 65% | 0.651 | S | S | . | * | trans | -93.8 | 104 | 171.9 | -58 | -180 | 0 | 0 | 0 | 107 | M354 G358 | M354-I356 HydrophobicContact CB-CD1 4.34Å; M354-I356 HydrophobicContact CB-CG1 3.89Å; M354-I356 HydrophobicContact CE-CD1 4.34Å; M354-I356 HydrophobicContact CE-CG1 4.18Å; M354-I356 PolarHBondContact O-N 3.39Å; I356-G358 PolarHBondContact O-N 3.03Å | ||
| 357 | P | 32.4 | Very low | 46.8 | Very low | 126 Ų | 126 | 114.5 Ų | 114.5 | 82% | 0.818 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.4 | 124.5 | 176 | -14.7 | 31.5 | 0 | 0 | 0 | 109.3 | D355 | D355-P357 VanDerWaalsContact O-CD 3.26Å; D355-P357 WeakPolarHBondContact O-CD 3.43Å |
| 358 | G | 45.6 | Very low | 48.9 | Very low | 73 Ų | 73 | 112.1 Ų | 112.1 | 75% | 0.753 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 124.9 | -11 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | I356 N360 | I356-G358 PolarHBondContact O-N 3.03Å; G358-N360 PolarHBondContact O-N 3.24Å |
| 359 | L | 39.9 | Very low | 51.1 | Low | 124 Ų | 124 | 108.6 Ų | 108.6 | 65% | 0.649 | 60% | 0.596 | S | S | * | * | trans | -79 | 80.1 | 178.1 | -144.7 | 80.5 | 0 | 0 | 0 | 111.1 | L361 | L359-L361 VanDerWaalsContact C-N 3.35Å; L359-L361 HydrophobicContact CB-CD1 4.26Å; L359-L361 HydrophobicContact CD2-CD1 3.37Å; L359-L361 HydrophobicContact CG-CD1 3.62Å; L359-L361 PolarHBondContact O-N 3.3Å | ||
| 360 | N | 39.8 | Very low | 53.5 | Low | 149 Ų | 149 | 103 Ų | 103 | 80% | 0.797 | 57% | 0.567 | S | S | * | * | trans | -71 | 82.2 | 175 | -91.3 | -26.7 | 0 | 0 | 0 | 111.4 | G358 S362 | G358-N360 PolarHBondContact O-N 3.24Å; N360-S362 VanDerWaalsContact C-N 3.26Å; N360-S362 PolarHBondContact O-N 3.06Å | ||
| 361 | L | 44.7 | Very low | 56.2 | Low | 102 Ų | 102 | 98.9 Ų | 98.9 | 53% | 0.534 | 54% | 0.544 | S | S | . | . | trans | -74.4 | -11.2 | 171.4 | -93.8 | 87.2 | 0 | 0 | 0 | 113.9 | L359 Q363 Y366 | L359-L361 VanDerWaalsContact C-N 3.35Å; L359-L361 HydrophobicContact CB-CD1 4.26Å; L359-L361 HydrophobicContact CD2-CD1 3.37Å; L359-L361 HydrophobicContact CG-CD1 3.62Å; L359-L361 PolarHBondContact O-N 3.3Å; L361-Q363 PolarHBondContact O-N 3.02Å; L361-Y366 HydrophobicContact CD2-CD2 4.11Å; L361-Y366 HydrophobicContact CD2-CE2 4.39Å | ||
| 362 | S | 38.5 | Very low | 59.2 | Low | 101 Ų | 101 | 93 Ų | 93 | 71% | 0.706 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -4.3 | -160.6 | 57.7 | 0 | 0 | 0 | 0 | 117 | N360 | N360-S362 VanDerWaalsContact C-N 3.26Å; N360-S362 PolarHBondContact O-N 3.06Å |
| 363 | Q | 43.9 | Very low | 62 | Low | 186 Ų | 186 | 94.1 Ų | 94.1 | 87% | 0.869 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.1 | -5.3 | -176.1 | -68.2 | -171.8 | -7.5 | 0 | 0 | 115.5 | L361 | L361-Q363 PolarHBondContact O-N 3.02Š|
| 364 | Q | 55.1 | Low | 65.1 | Low | 146 Ų | 146 | 88 Ų | 88 | 68% | 0.682 | 46% | 0.464 | S | S | * | . | S | Bend | trans | -108.9 | 143.5 | 178.4 | -68.6 | -175.5 | 14 | 0 | 0 | 110.9 | Y366 | Q364-Y366 PolarHBondContact O-N 2.9Š|
| 365 | E | 71.3 | Confident | 67.7 | Low | 136 Ų | 136 | 83.6 Ų | 83.6 | 64% | 0.636 | 44% | 0.443 | S | S | * | . | trans | -58.2 | 108.3 | 170.4 | -67.2 | -177.8 | 165.8 | 0 | 0 | 109.1 | R332 Y367 | R332-E365 IonicContact NH2-OE2 2.84Å; E365-Y367 HydrophobicContact CB-CD2 4.41Å; E365-Y367 HydrophobicContact CB-CE2 3.52Å; E365-Y367 WeakPolarHBondContact O-CD2 3.36Å; E365-Y367 WeakPolarHBondContact O-CE2 3.43Å; E365-Y367 PolarHBondContact OE2-OH 2.91Å | ||
| 366 | Y | 82 | Confident | 70.2 | Confident | 119 Ų | 119 | 76.7 Ų | 76.7 | 47% | 0.467 | 41% | 0.408 | S | S | . | . | trans | -78.9 | 136.5 | 177.3 | 177 | -94.5 | 0 | 0 | 0 | 110.6 | D343 L361 Q364 | D343-Y366 WeakPolarHBondContact OD1-CE1 3.27Å; D343-Y366 PolarHBondContact OD1-OH 3Å; L361-Y366 HydrophobicContact CD2-CD2 4.11Å; L361-Y366 HydrophobicContact CD2-CE2 4.39Å; Q364-Y366 PolarHBondContact O-N 2.9Å | ||
| 367 | Y | 91 | Very high | 72.4 | Confident | 38 Ų | 38 | 74.5 Ų | 74.5 | 15% | 0.149 | 40% | 0.397 | C | S | . | . | trans | -132.6 | 144.4 | 173.2 | -61.4 | -76.9 | 0 | 0 | 0 | 109.5 | R309 R332 E365 Y369 Y371 | R309-Y367 PolarHBondContact NH1-O 3.46Å; R332-Y367 VanDerWaalsContact CZ-CZ 3.41Å; R332-Y367 PolarHBondContact NE-OH 2.8Å; R332-Y367 VanDerWaalsContact NH1-CZ 3.33Å; R332-Y367 PolarHBondContact NH2-OH 3.12Å; E365-Y367 HydrophobicContact CB-CD2 4.41Å; E365-Y367 HydrophobicContact CB-CE2 3.52Å; E365-Y367 WeakPolarHBondContact O-CD2 3.36Å; E365-Y367 WeakPolarHBondContact O-CE2 3.43Å; E365-Y367 PolarHBondContact OE2-OH 2.91Å; Y367-Y369 CarbonylContact C-O 3.35Å; Y367-Y369 WeakPolarHBondContact CB-O 3.27Å; Y367-Y369 HydrophobicContact CD1-CE1 4.23Å; Y367-Y369 AromaticContact CD1-CZ 3.96Å; Y367-Y369 HydrophobicContact CG-CE1 4.38Å; Y367-Y369 HydrophobicContact CG-CE2 4.37Å; Y367-Y369 PolarHBondContact O-N 3.42Å; Y367-Y369 VanDerWaalsContact O-N 3.08Å; Y367-Y369 VanDerWaalsContact O-O 3.1Å; Y367-Y371 AromaticContact CD2-CD1 3.61Å; Y367-Y371 HydrophobicContact CD2-CD1 3.61Å; Y367-Y371 HydrophobicContact CD2-CE1 4.44Å; Y367-Y371 AromaticContact CD2-CG 3.67Å; Y367-Y371 HydrophobicContact CD2-CG 3.67Å; Y367-Y371 AromaticContact CE2-CD1 3.48Å; Y367-Y371 HydrophobicContact CE2-CD1 3.48Å; Y367-Y371 VanDerWaalsContact CE2-CD1 3.48Å; Y367-Y371 AromaticContact CE2-CE1 3.87Å; Y367-Y371 HydrophobicContact CE2-CE1 3.87Å; Y367-Y371 AromaticContact CE2-CG 3.89Å; Y367-Y371 HydrophobicContact CE2-CG 3.89Å | ||
| 368 | P | 90.7 | Very high | 75 | Confident | 7 Ų | 7 | 69 Ų | 69 | 5% | 0.045 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -59.9 | -19.7 | 176.9 | -23 | 32 | 0 | 0 | 0 | 113.5 | Y339 L342 D343 | Y339-P368 WeakPolarHBondContact O-CB 3.49Å; L342-P368 HydrophobicContact CB-CB 4.16Å; L342-P368 WeakPolarHBondContact CB-O 3.45Å; L342-P368 WeakPolarHBondContact CD1-O 3.5Å; D343-P368 WeakPolarHBondContact OD1-CA 3.09Å; D343-P368 VanDerWaalsContact OD1-CB 3.25Å; D343-P368 WeakPolarHBondContact OD1-CB 3.35Å; D343-P368 WeakPolarHBondContact OD1-CG 3.4Å |
| 369 | Y | 94.4 | Very high | 76.8 | Confident | 1 Ų | 1 | 66.3 Ų | 66.3 | 0% | 0.004 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -110.1 | 154.9 | 175.7 | 56.4 | -87.8 | 0 | 0 | 0 | 110 | I7 R309 R332 L335 Y339 Y367 Y371 | I7-Y369 HydrophobicContact CB-CD2 3.95Å; I7-Y369 HydrophobicContact CB-CE2 4.19Å; I7-Y369 HydrophobicContact CG2-CD2 4.02Å; I7-Y369 HydrophobicContact CG2-CE2 3.75Å; R309-Y369 PolarHBondContact NH1-O 2.78Å; R332-Y369 PolarHBondContact NH1-OH 3.23Å; L335-Y369 HydrophobicContact CB-CE1 3.73Å; L335-Y369 WeakPolarHBondContact CB-OH 3.41Å; L335-Y369 HydrophobicContact CD1-CE2 4.44Å; L335-Y369 VanDerWaalsContact CD1-OH 3.3Å; L335-Y369 WeakPolarHBondContact CD1-OH 3.33Å; Y339-Y369 AromaticContact CD2-CD1 3.51Å; Y339-Y369 HydrophobicContact CD2-CD1 3.51Å; Y339-Y369 HydrophobicContact CD2-CE1 4.13Å; Y339-Y369 AromaticContact CD2-CG 3.89Å; Y339-Y369 HydrophobicContact CD2-CG 3.89Å; Y339-Y369 HydrophobicContact CE2-CD1 4.48Å; Y339-Y369 AromaticContact CG-CD1 4Å; Y339-Y369 HydrophobicContact CG-CD1 4Å; Y339-Y369 HydrophobicContact CG-CG 4.4Å; Y367-Y369 CarbonylContact C-O 3.35Å; Y367-Y369 WeakPolarHBondContact CB-O 3.27Å; Y367-Y369 HydrophobicContact CD1-CE1 4.23Å; Y367-Y369 AromaticContact CD1-CZ 3.96Å; Y367-Y369 HydrophobicContact CG-CE1 4.38Å; Y367-Y369 HydrophobicContact CG-CE2 4.37Å; Y367-Y369 PolarHBondContact O-N 3.42Å; Y367-Y369 VanDerWaalsContact O-N 3.08Å; Y367-Y369 VanDerWaalsContact O-O 3.1Å; Y369-Y371 HydrophobicContact CE2-CD2 4.23Å; Y369-Y371 PolarHBondContact O-N 3.12Å |
| 370 | V | 95.8 | Very high | 78.1 | Confident | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 131.5 | 173.8 | 176.9 | 0 | 0 | 0 | 0 | 109.5 | I7 S8 E305 Y310 Y372 | I7-V370 CarbonylContact C-O 3.58Å; I7-V370 WeakPolarHBondContact CA-O 3.46Å; I7-V370 WeakPolarHBondContact CB-O 3.26Å; S8-V370 PolarHBondContact N-O 3.24Å; S8-V370 PolarHBondContact O-N 3.47Å; S8-V370 VanDerWaalsContact O-N 3.16Å; E305-V370 HydrophobicContact CB-CG1 3.93Å; E305-V370 HydrophobicContact CB-CG2 4.09Å; E305-V370 HydrophobicContact CG-CB 4.33Å; E305-V370 HydrophobicContact CG-CG1 3.85Å; E305-V370 HydrophobicContact CG-CG2 3.65Å; Y310-V370 HydrophobicContact CE2-CG2 4.17Å; Y310-V370 PolarHBondContact OH-N 2.96Å; V370-Y372 HydrophobicContact CG1-CD2 4.1Å; V370-Y372 HydrophobicContact CG1-CE2 3.64Å |
| 371 | Y | 96.1 | Very high | 79.1 | Confident | 35 Ų | 35 | 66.6 Ų | 66.6 | 14% | 0.137 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 128 | -175.8 | 171.4 | -98.1 | 0 | 0 | 0 | 111.6 | W5 I7 R332 Y367 Y369 K373 | W5-Y371 HydrophobicContact CB-CD2 4.4Å; W5-Y371 HydrophobicContact CB-CE2 3.73Å; W5-Y371 AromaticContact CD1-CE2 3.84Å; W5-Y371 AromaticContact CD2-CE2 3.84Å; W5-Y371 HydrophobicContact CD2-CE2 3.84Å; W5-Y371 HydrophobicContact CE3-CE2 4.33Å; W5-Y371 AromaticContact CG-CE2 3.53Å; W5-Y371 HydrophobicContact CG-CE2 3.53Å; W5-Y371 PolarHBondContact NE1-OH 2.69Å; I7-Y371 HydrophobicContact CG2-CD2 3.9Å; R332-Y371 PolarHBondContact NH2-OH 3.02Å; Y367-Y371 AromaticContact CD2-CD1 3.61Å; Y367-Y371 HydrophobicContact CD2-CD1 3.61Å; Y367-Y371 HydrophobicContact CD2-CE1 4.44Å; Y367-Y371 AromaticContact CD2-CG 3.67Å; Y367-Y371 HydrophobicContact CD2-CG 3.67Å; Y367-Y371 AromaticContact CE2-CD1 3.48Å; Y367-Y371 HydrophobicContact CE2-CD1 3.48Å; Y367-Y371 VanDerWaalsContact CE2-CD1 3.48Å; Y367-Y371 AromaticContact CE2-CE1 3.87Å; Y367-Y371 HydrophobicContact CE2-CE1 3.87Å; Y367-Y371 AromaticContact CE2-CG 3.89Å; Y367-Y371 HydrophobicContact CE2-CG 3.89Å; Y369-Y371 HydrophobicContact CE2-CD2 4.23Å; Y369-Y371 PolarHBondContact O-N 3.12Å; Y371-K373 HydrophobicContact CE1-CB 4.38Å |
| 372 | Y | 97 | Very high | 79.1 | Confident | 22 Ų | 22 | 74.7 Ų | 74.7 | 9% | 0.086 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 133.1 | 168.2 | -63.2 | -66.5 | 0 | 0 | 0 | 110.8 | L6 R301 V302 E305 V370 | L6-Y372 PolarHBondContact N-O 2.64Å; L6-Y372 PolarHBondContact O-N 2.88Å; R301-Y372 HydrophobicContact CB-CD2 4.27Å; R301-Y372 HydrophobicContact CB-CE1 4.41Å; R301-Y372 HydrophobicContact CB-CE2 3.69Å; R301-Y372 VanDerWaalsContact NE-CE1 3.32Å; V302-Y372 HydrophobicContact CG2-CD2 3.64Å; V302-Y372 HydrophobicContact CG2-CE2 4.06Å; E305-Y372 HydrophobicContact CB-CE2 4.47Å; V370-Y372 HydrophobicContact CG1-CD2 4.1Å; V370-Y372 HydrophobicContact CG1-CE2 3.64Å |
| 373 | K | 95.2 | Very high | 81.1 | Confident | 87 Ų | 87 | 73.4 Ų | 73.4 | 38% | 0.378 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 139.9 | 171.9 | -174.7 | 169.1 | 166.8 | 151.3 | 0 | 110.3 | E3 K298 Y371 | E3-K373 HydrophobicContact CG-CD 4.33Å; E3-K373 HydrophobicContact CG-CG 4.18Å; E3-K373 WeakPolarHBondContact OE1-CD 3.49Å; E3-K373 WeakPolarHBondContact OE1-CE 3.48Å; E3-K373 IonicContact OE1-NZ 2.83Å; E3-K373 PolarHBondContact OE1-NZ 3.05Å; E3-K373 WeakPolarHBondContact OE2-CE 3.28Å; E3-K373 IonicContact OE2-NZ 2.67Å; E3-K373 PolarHBondContact OE2-NZ 3.34Å; K298-K373 PolarHBondContact NZ-O 3.41Å; Y371-K373 HydrophobicContact CE1-CB 4.38Å |
| 374 | I | 96.2 | Very high | 83 | Confident | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 112.4 | 167.7 | -58 | 166.5 | 0 | 0 | 0 | 106.5 | F4 L6 I102 W294 I295 K298 L320 | F4-I374 HydrophobicContact CB-CB 4.27Å; F4-I374 PolarHBondContact N-O 2.67Å; F4-I374 PolarHBondContact O-N 3.04Å; L6-I374 HydrophobicContact CB-CD1 4.12Å; L6-I374 HydrophobicContact CD2-CD1 4.31Å; I102-I374 HydrophobicContact CD1-CG2 3.83Å; I102-I374 HydrophobicContact CG2-CD1 4.41Å; W294-I374 HydrophobicContact CH2-CG2 4.08Å; W294-I374 HydrophobicContact CZ3-CG2 4.14Å; I295-I374 HydrophobicContact CD1-CD1 4.22Å; I295-I374 HydrophobicContact CD1-CG2 4.05Å; K298-I374 HydrophobicContact CB-CD1 4.48Å; K298-I374 HydrophobicContact CD-CG1 4.17Å; K298-I374 HydrophobicContact CG-CD1 4.24Å; K298-I374 HydrophobicContact CG-CG1 4.1Å; L320-I374 HydrophobicContact CD1-CD1 4.47Å |
| 375 | D | 92.3 | Very high | 84.6 | Confident | 43 Ų | 43 | 63.1 Ų | 63.1 | 23% | 0.23 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 115.1 | 176.4 | -166.3 | -9.9 | 0 | 0 | 0 | 110.1 | N377 | D375-N377 PolarHBondContact O-N 3.16Å; D375-N377 VanDerWaalsContact OD1-CB 3.24Å; D375-N377 WeakPolarHBondContact OD1-CB 3.36Å; D375-N377 PolarHBondContact OD1-N 3.39Å; D375-N377 PolarHBondContact OD1-ND2 3.17Å |
| 376 | C | 90.2 | Very high | 85.4 | Confident | 19 Ų | 19 | 58.8 Ų | 58.8 | 13% | 0.128 | 26% | 0.264 | C | S | . | . | trans | -83.9 | 6.9 | 176.6 | -62 | 0 | 0 | 0 | 0 | 113 | T2 L98 I102 L378 | T2-C376 WeakPolarHBondContact O-CB 3.42Å; T2-C376 PolarHBondContact O-N 3.35Å; L98-C376 HydrophobicContact CD1-CB 4.48Å; I102-C376 WeakPolarHBondContact CD1-SG 3.14Å; C376-L378 PolarHBondContact O-N 2.75Å | ||
| 377 | N | 87.7 | Confident | 85.6 | Confident | 50 Ų | 50 | 55 Ų | 55 | 27% | 0.267 | 25% | 0.251 | S | S | . | . | trans | -79 | 76.8 | 171.9 | -53.4 | -27 | 0 | 0 | 0 | 109.2 | M1 T2 D375 L379 | M1-N377 WeakPolarHBondContact CA-OD1 3.31Å; M1-N377 WeakPolarHBondContact CB-OD1 3.3Å; M1-N377 WeakPolarHBondContact CG-OD1 3.49Å; M1-N377 HydrophobicContact SD-CB 3.94Å; M1-N377 PolarHBondContact SD-OD1 3.41Å; M1-N377 VanDerWaalsContact SD-OD1 3.33Å; T2-N377 PolarHBondContact N-OD1 2.96Å; D375-N377 PolarHBondContact O-N 3.16Å; D375-N377 VanDerWaalsContact OD1-CB 3.24Å; D375-N377 WeakPolarHBondContact OD1-CB 3.36Å; D375-N377 PolarHBondContact OD1-N 3.39Å; D375-N377 PolarHBondContact OD1-ND2 3.17Å; N377-L379 VanDerWaalsContact C-N 3.33Å | ||
| 378 | L | 87.4 | Confident | 85.2 | Confident | 11 Ų | 11 | 56.1 Ų | 56.1 | 6% | 0.058 | 26% | 0.258 | C | S | . | . | trans | -82.7 | -11.1 | -174.3 | -57.2 | 178.3 | 0 | 0 | 0 | 113.6 | V69 K70 A73 L98 F287 F291 W294 C376 | V69-L378 HydrophobicContact CG1-CD1 3.74Å; V69-L378 HydrophobicContact CG1-CD2 3.88Å; V69-L378 HydrophobicContact CG1-CG 4.41Å; K70-L378 HydrophobicContact CG-CD2 4.25Å; A73-L378 HydrophobicContact CB-CB 3.98Å; L98-L378 HydrophobicContact CD1-CD1 3.7Å; F287-L378 HydrophobicContact CE2-CD1 3.58Å; F287-L378 HydrophobicContact CZ-CD1 3.54Å; F291-L378 HydrophobicContact CD2-CD1 4.11Å; F291-L378 HydrophobicContact CE2-CD1 4.15Å; W294-L378 HydrophobicContact CZ3-CD2 4.2Å; C376-L378 PolarHBondContact O-N 2.75Å | ||
| 379 | L | 84 | Confident | 84.8 | Confident | 17 Ų | 17 | 59.6 Ų | 59.6 | 9% | 0.089 | 27% | 0.273 | C | S | . | . | trans | -119.2 | 127.1 | -177.7 | -60.4 | 175.9 | 0 | 0 | 0 | 109.7 | A73 A77 V87 L91 N377 F381 | A73-L379 VanDerWaalsContact C-CD2 3.45Å; A73-L379 HydrophobicContact CB-CD2 3.83Å; A73-L379 VanDerWaalsContact O-CD2 3.32Å; A73-L379 WeakPolarHBondContact O-CD2 3.18Å; A77-L379 HydrophobicContact CB-CD2 4.09Å; V87-L379 HydrophobicContact CB-CD1 4.49Å; V87-L379 HydrophobicContact CG1-CD1 3.59Å; L91-L379 HydrophobicContact CD1-CD1 3.87Å; L91-L379 HydrophobicContact CD1-CD2 4.32Å; L91-L379 HydrophobicContact CD1-CG 4.14Å; N377-L379 VanDerWaalsContact C-N 3.33Å; L379-F381 HydrophobicContact CB-CD2 4Å; L379-F381 HydrophobicContact CB-CE2 3.78Å; L379-F381 HydrophobicContact CB-CZ 4.19Å; L379-F381 HydrophobicContact CD1-CD2 4.46Å; L379-F381 HydrophobicContact CD1-CE1 4.28Å; L379-F381 HydrophobicContact CD1-CE2 3.44Å; L379-F381 VanDerWaalsContact CD1-CE2 3.44Å; L379-F381 HydrophobicContact CD1-CZ 3.34Å; L379-F381 HydrophobicContact CG-CE2 4.26Å; L379-F381 HydrophobicContact CG-CZ 4.35Å; L379-F381 PolarHBondContact O-N 2.96Å | ||
| 380 | E | 67.3 | Low | 84.1 | Confident | 168 Ų | 168 | 64.2 Ų | 64.2 | 79% | 0.785 | 29% | 0.294 | S | S | * | . | trans | -91.1 | 83.3 | 164.4 | -68.7 | -177.4 | -171.5 | 0 | 0 | 107.8 | K382 | E380-K382 PolarHBondContact O-N 3.29Å; E380-K382 VanDerWaalsContact O-N 3.16Å | ||
| 381 | F | 59.6 | Low | 83.1 | Confident | 110 Ų | 110 | 69.5 Ų | 69.5 | 48% | 0.482 | 32% | 0.319 | S | S | . | . | trans | -70 | 112 | 164.8 | -66.1 | -67.3 | 0 | 0 | 0 | 107.6 | A77 L379 | A77-F381 HydrophobicContact CB-CE1 4.49Å; L379-F381 HydrophobicContact CB-CD2 4Å; L379-F381 HydrophobicContact CB-CE2 3.78Å; L379-F381 HydrophobicContact CB-CZ 4.19Å; L379-F381 HydrophobicContact CD1-CD2 4.46Å; L379-F381 HydrophobicContact CD1-CE1 4.28Å; L379-F381 HydrophobicContact CD1-CE2 3.44Å; L379-F381 VanDerWaalsContact CD1-CE2 3.44Å; L379-F381 HydrophobicContact CD1-CZ 3.34Å; L379-F381 HydrophobicContact CG-CE2 4.26Å; L379-F381 HydrophobicContact CG-CZ 4.35Å; L379-F381 PolarHBondContact O-N 2.96Å | ||
| 382 | K | 44.8 | Very low | 82 | Confident | 272 Ų | 272 | 72.6 Ų | 72.6 | 100% | 1.183 | 34% | 0.335 | S | S | * | . | trans | -68.4 | 0 | 165 | -75.8 | -170.9 | 178.6 | -179.5 | 0 | 111.1 | E380 | E380-K382 PolarHBondContact O-N 3.29Å; E380-K382 VanDerWaalsContact O-N 3.16Å |
Retrieved 382 of 382 residues in 118.4 ms
(Link to these results)