| 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 | S | 89.8 | Confident | 95.5 | Very high | 60 Ų | 60 | 64.3 Ų | 64.3 | 42% | 0.42 | 29% | 0.287 | S | S | . | . | 0 | -177.9 | 0 | 71.2 | 0 | 0 | 0 | 0 | 110.4 | E4 R5 E78 | S1-E4 PolarHBondContact N-OE2 2.98Å; S1-E4 PolarHBondContact OG-N 3.12Å; S1-R5 WeakPolarHBondContact O-CG 3.31Å; S1-R5 PolarHBondContact O-N 3.09Å; S1-E78 WeakPolarHBondContact CB-OE1 3.32Å; S1-E78 PolarHBondContact OG-OE1 3.21Å | |||
| 2 | T | 92.6 | Very high | 95.6 | Very high | 54 Ų | 54 | 64.2 Ų | 64.2 | 33% | 0.331 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -65.6 | -44.2 | 172.8 | -59.7 | 0 | 0 | 0 | 0 | 111 | E4 R5 L6 Y36 E78 | T2-E4 VanDerWaalsContact C-N 3.33Å; T2-E4 PolarHBondContact O-N 3.02Å; T2-R5 PolarHBondContact O-N 3.29Å; T2-R5 VanDerWaalsContact O-N 3.16Å; T2-L6 HydrophobicContact CG2-CD1 4.03Å; T2-L6 PolarHBondContact O-N 3.29Å; T2-Y36 HydrophobicContact CG2-CD1 4.11Å; T2-Y36 HydrophobicContact CG2-CD2 3.97Å; T2-Y36 HydrophobicContact CG2-CE1 3.98Å; T2-Y36 HydrophobicContact CG2-CE2 3.86Å; T2-Y36 HydrophobicContact CG2-CG 4.12Å; T2-E78 WeakPolarHBondContact CA-OE1 3.44Å; T2-E78 WeakPolarHBondContact CB-OE1 3.14Å; T2-E78 PolarHBondContact N-OE1 2.9Å |
| 3 | A | 95.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -53.9 | -47.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | R5 L6 Y7 Y36 L40 E78 V79 F82 | A3-R5 PolarHBondContact O-N 2.94Å; A3-L6 PolarHBondContact O-N 2.59Å; A3-Y7 VanDerWaalsContact O-CB 3.26Å; A3-Y7 WeakPolarHBondContact O-CB 3.42Å; A3-Y7 PolarHBondContact O-N 3.45Å; A3-Y36 HydrophobicContact CB-CD1 4.27Å; A3-Y36 HydrophobicContact CB-CE1 4.1Å; A3-L40 HydrophobicContact CB-CD1 4.39Å; A3-E78 HydrophobicContact CB-CG 4.42Å; A3-E78 WeakPolarHBondContact CB-OE1 3.48Å; A3-E78 PolarHBondContact N-OE1 3.04Å; A3-V79 HydrophobicContact CB-CB 4.42Å; A3-V79 HydrophobicContact CB-CG2 3.79Å; A3-F82 HydrophobicContact CB-CB 4.07Å; A3-F82 HydrophobicContact CB-CD1 4.13Å; A3-F82 HydrophobicContact CB-CG 4.24Å |
| 4 | E | 96.6 | Very high | 95.7 | Very high | 56 Ų | 56 | 57.7 Ų | 57.7 | 26% | 0.262 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -60.8 | -41.8 | 178.2 | -178.1 | -171.8 | -179.7 | 0 | 0 | 112.7 | S1 T2 R8 F82 | S1-E4 PolarHBondContact N-OE2 2.98Å; S1-E4 PolarHBondContact OG-N 3.12Å; T2-E4 VanDerWaalsContact C-N 3.33Å; T2-E4 PolarHBondContact O-N 3.02Å; E4-R8 VanDerWaalsContact CD-NH1 3.31Å; E4-R8 WeakPolarHBondContact O-CB 3.42Å; E4-R8 WeakPolarHBondContact O-CG 3.32Å; E4-R8 PolarHBondContact O-N 2.87Å; E4-R8 IonicContact OE1-CZ 3Å; E4-R8 IonicContact OE1-NH1 3.67Å; E4-R8 PolarHBondContact OE1-NH1 3.49Å; E4-R8 IonicContact OE1-NH2 3.87Å; E4-R8 PolarHBondContact OE1-NH2 3.45Å; E4-F82 HydrophobicContact CB-CD2 3.79Å; E4-F82 HydrophobicContact CB-CE2 3.57Å; E4-F82 HydrophobicContact CB-CG 4.43Å; E4-F82 HydrophobicContact CB-CZ 4.03Å; E4-F82 HydrophobicContact CG-CD2 4.24Å; E4-F82 HydrophobicContact CG-CE2 3.59Å; E4-F82 HydrophobicContact CG-CZ 4.1Å |
| 5 | R | 96.3 | Very high | 95.6 | Very high | 191 Ų | 191 | 62.1 Ų | 62.1 | 72% | 0.721 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -66.3 | -43.8 | 178.6 | -70.6 | 174.9 | -172.6 | -103.6 | 2.3 | 111.3 | S1 T2 A3 R8 L9 | S1-R5 WeakPolarHBondContact O-CG 3.31Å; S1-R5 PolarHBondContact O-N 3.09Å; T2-R5 PolarHBondContact O-N 3.29Å; T2-R5 VanDerWaalsContact O-N 3.16Å; A3-R5 PolarHBondContact O-N 2.94Å; R5-R8 PolarHBondContact O-N 3Å; R5-L9 WeakPolarHBondContact O-CB 3.49Å; R5-L9 PolarHBondContact O-N 2.87Å |
| 6 | L | 96.4 | Very high | 95.7 | Very high | 17 Ų | 17 | 65.8 Ų | 65.8 | 9% | 0.089 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -69.7 | -37.1 | 178.3 | -73.4 | 174.7 | 0 | 0 | 0 | 112.3 | T2 A3 L9 K10 L33 Y36 L40 F41 | T2-L6 HydrophobicContact CG2-CD1 4.03Å; T2-L6 PolarHBondContact O-N 3.29Å; A3-L6 PolarHBondContact O-N 2.59Å; L6-L9 HydrophobicContact CD2-CD2 4.18Å; L6-L9 WeakPolarHBondContact O-CB 3.48Å; L6-L9 PolarHBondContact O-N 3.24Å; L6-K10 PolarHBondContact O-N 3.49Å; L6-L33 HydrophobicContact CD1-CD2 4.15Å; L6-L33 HydrophobicContact CD2-CD2 4.43Å; L6-Y36 HydrophobicContact CD1-CD1 4.24Å; L6-Y36 HydrophobicContact CD1-CG 3.77Å; L6-L40 HydrophobicContact CB-CD1 3.92Å; L6-F41 HydrophobicContact CB-CE2 4.25Å; L6-F41 HydrophobicContact CD2-CE2 4.49Å |
| 7 | Y | 96.9 | Very high | 95.6 | Very high | 14 Ų | 14 | 68.9 Ų | 68.9 | 6% | 0.055 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62.1 | -44.3 | 171.7 | 178.6 | -92.9 | 0 | 0 | 0 | 111.6 | A3 K10 R11 F82 L83 L86 Y118 | A3-Y7 VanDerWaalsContact O-CB 3.26Å; A3-Y7 WeakPolarHBondContact O-CB 3.42Å; A3-Y7 PolarHBondContact O-N 3.45Å; Y7-K10 PolarHBondContact O-N 3.05Å; Y7-R11 HydrophobicContact CD1-CG 4.44Å; Y7-R11 VanDerWaalsContact CE1-CD 3.45Å; Y7-R11 HydrophobicContact CE1-CG 4.13Å; Y7-R11 WeakPolarHBondContact O-CG 3.43Å; Y7-R11 PolarHBondContact O-N 3.2Å; Y7-F82 AromaticContact CD1-CE1 3.91Å; Y7-F82 HydrophobicContact CD1-CE1 3.91Å; Y7-F82 AromaticContact CD1-CZ 3.77Å; Y7-F82 HydrophobicContact CD1-CZ 3.77Å; Y7-F82 HydrophobicContact CD2-CE1 4.05Å; Y7-F82 HydrophobicContact CE1-CZ 4.39Å; Y7-F82 AromaticContact CG-CE1 3.58Å; Y7-F82 HydrophobicContact CG-CE1 3.58Å; Y7-F82 AromaticContact CG-CZ 3.95Å; Y7-F82 HydrophobicContact CG-CZ 3.95Å; Y7-L83 HydrophobicContact CD2-CD2 4.4Å; Y7-L83 HydrophobicContact CE2-CD2 4.4Å; Y7-L86 HydrophobicContact CE1-CD1 4.39Å; Y7-L86 HydrophobicContact CE1-CD2 4.5Å; Y7-L86 HydrophobicContact CE2-CD1 4.08Å; Y7-Y118 HydrophobicContact CE2-CD1 4.04Å; Y7-Y118 AromaticContact CE2-CE1 3.82Å; Y7-Y118 HydrophobicContact CE2-CE1 3.82Å; Y7-Y118 AromaticContact CZ-CD1 3.78Å; Y7-Y118 AromaticContact CZ-CE1 3.89Å; Y7-Y118 VanDerWaalsContact OH-CD1 3.26Å; Y7-Y118 WeakPolarHBondContact OH-CD1 3.24Å |
| 8 | R | 96.7 | Very high | 95.6 | Very high | 141 Ų | 141 | 69.7 Ų | 69.7 | 53% | 0.532 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -62.1 | -43.9 | 173.4 | -77.4 | -174.3 | -179.5 | 120.7 | 6.6 | 112.3 | E4 R5 K10 R11 S12 | E4-R8 VanDerWaalsContact CD-NH1 3.31Å; E4-R8 WeakPolarHBondContact O-CB 3.42Å; E4-R8 WeakPolarHBondContact O-CG 3.32Å; E4-R8 PolarHBondContact O-N 2.87Å; E4-R8 IonicContact OE1-CZ 3Å; E4-R8 IonicContact OE1-NH1 3.67Å; E4-R8 PolarHBondContact OE1-NH1 3.49Å; E4-R8 IonicContact OE1-NH2 3.87Å; E4-R8 PolarHBondContact OE1-NH2 3.45Å; R5-R8 PolarHBondContact O-N 3Å; R8-K10 VanDerWaalsContact C-N 3.32Å; R8-K10 PolarHBondContact O-N 2.81Å; R8-R11 WeakPolarHBondContact O-CB 3.42Å; R8-R11 PolarHBondContact O-N 3.03Å; R8-S12 PolarHBondContact O-N 3.45Å; R8-S12 PolarHBondContact O-OG 3.06Å |
| 9 | L | 96.8 | Very high | 95.6 | Very high | 65 Ų | 65 | 68.6 Ų | 68.6 | 34% | 0.34 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -55.8 | -49.4 | 174.5 | 172.4 | 64.1 | 0 | 0 | 0 | 110.5 | R5 L6 R11 S12 L13 | R5-L9 WeakPolarHBondContact O-CB 3.49Å; R5-L9 PolarHBondContact O-N 2.87Å; L6-L9 HydrophobicContact CD2-CD2 4.18Å; L6-L9 WeakPolarHBondContact O-CB 3.48Å; L6-L9 PolarHBondContact O-N 3.24Å; L9-R11 VanDerWaalsContact C-N 3.31Å; L9-R11 PolarHBondContact O-N 3.23Å; L9-S12 WeakPolarHBondContact O-CB 3.4Å; L9-S12 PolarHBondContact O-N 3.33Å; L9-L13 HydrophobicContact CD1-CD1 4.35Å; L9-L13 HydrophobicContact CD1-CG 4.32Å; L9-L13 HydrophobicContact CG-CD1 4.12Å; L9-L13 WeakPolarHBondContact O-CG 3.49Å; L9-L13 PolarHBondContact O-N 2.93Å |
| 10 | K | 96.8 | Very high | 95.6 | Very high | 2 Ų | 2 | 68.6 Ų | 68.6 | 1% | 0.009 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -57.1 | -45 | 177.6 | -171.3 | -172.4 | -178.3 | -65.9 | 0 | 112.1 | L6 Y7 R8 S12 L13 D14 L40 F41 Y45 Y118 R134 | L6-K10 PolarHBondContact O-N 3.49Å; Y7-K10 PolarHBondContact O-N 3.05Å; R8-K10 VanDerWaalsContact C-N 3.32Å; R8-K10 PolarHBondContact O-N 2.81Å; K10-S12 PolarHBondContact O-N 3.17Å; K10-L13 WeakPolarHBondContact O-CB 3.45Å; K10-L13 PolarHBondContact O-N 2.83Å; K10-L13 VanDerWaalsContact O-N 3.14Å; K10-D14 IonicContact NZ-OD2 3.76Å; K10-D14 PolarHBondContact NZ-OD2 3.47Å; K10-D14 PolarHBondContact O-N 3.44Å; K10-L40 WeakPolarHBondContact CD-O 3.4Å; K10-L40 WeakPolarHBondContact CE-O 3.32Å; K10-F41 HydrophobicContact CB-CD1 4.38Å; K10-F41 HydrophobicContact CB-CE1 3.6Å; K10-F41 HydrophobicContact CB-CZ 3.77Å; K10-F41 HydrophobicContact CD-CD1 4.35Å; K10-F41 HydrophobicContact CD-CE1 4.35Å; K10-F41 HydrophobicContact CG-CD1 4.08Å; K10-F41 HydrophobicContact CG-CE1 3.75Å; K10-F41 HydrophobicContact CG-CZ 4.36Å; K10-Y45 VanDerWaalsContact CE-OH 3.29Å; K10-Y45 WeakPolarHBondContact CE-OH 3.45Å; K10-Y45 HydrophobicContact CG-CE1 4.34Å; K10-Y45 PolarHBondContact NZ-OH 2.99Å; K10-Y118 WeakPolarHBondContact CG-OH 3.1Å; K10-Y118 PolarHBondContact NZ-OH 3.14Å; K10-R134 WeakPolarHBondContact CE-O 3.38Å; K10-R134 PolarHBondContact NZ-O 2.79Å |
| 11 | R | 96.3 | Very high | 95.6 | Very high | 107 Ų | 107 | 66.3 Ų | 66.3 | 40% | 0.404 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -57.3 | -48.2 | 176.2 | -74.3 | -171.6 | 65.9 | 171.3 | 1.1 | 111.7 | Y7 R8 L9 L13 D14 D15 Y118 | Y7-R11 HydrophobicContact CD1-CG 4.44Å; Y7-R11 VanDerWaalsContact CE1-CD 3.45Å; Y7-R11 HydrophobicContact CE1-CG 4.13Å; Y7-R11 WeakPolarHBondContact O-CG 3.43Å; Y7-R11 PolarHBondContact O-N 3.2Å; R8-R11 WeakPolarHBondContact O-CB 3.42Å; R8-R11 PolarHBondContact O-N 3.03Å; L9-R11 VanDerWaalsContact C-N 3.31Å; L9-R11 PolarHBondContact O-N 3.23Å; R11-L13 VanDerWaalsContact C-N 3.29Å; R11-L13 PolarHBondContact O-N 3.37Å; R11-D14 PolarHBondContact O-N 2.88Å; R11-D15 WeakPolarHBondContact O-CB 3.49Å; R11-D15 VanDerWaalsContact O-CG 3.24Å; R11-D15 PolarHBondContact O-N 3.06Å; R11-Y118 WeakPolarHBondContact CA-OH 3.2Å; R11-Y118 HydrophobicContact CB-CE2 4.34Å; R11-Y118 HydrophobicContact CG-CD1 4.06Å; R11-Y118 HydrophobicContact CG-CD2 4.11Å; R11-Y118 HydrophobicContact CG-CE1 3.57Å; R11-Y118 HydrophobicContact CG-CE2 3.66Å; R11-Y118 HydrophobicContact CG-CG 4.29Å; R11-Y118 WeakPolarHBondContact CG-OH 3.36Å; R11-Y118 PolarHBondContact N-OH 3.44Å |
| 12 | S | 97 | Very high | 95.9 | Very high | 63 Ų | 63 | 71.5 Ų | 71.5 | 44% | 0.441 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -59.3 | -39.2 | 175.4 | -64.8 | 0 | 0 | 0 | 0 | 112.7 | R8 L9 K10 L16 | R8-S12 PolarHBondContact O-N 3.45Å; R8-S12 PolarHBondContact O-OG 3.06Å; L9-S12 WeakPolarHBondContact O-CB 3.4Å; L9-S12 PolarHBondContact O-N 3.33Å; K10-S12 PolarHBondContact O-N 3.17Å; S12-L16 WeakPolarHBondContact O-CB 3.41Å; S12-L16 WeakPolarHBondContact O-CD1 3.42Å; S12-L16 WeakPolarHBondContact O-CG 3.41Å; S12-L16 PolarHBondContact O-N 2.97Å; S12-L16 VanDerWaalsContact O-N 3.16Å |
| 13 | L | 96.8 | Very high | 95.9 | Very high | 15 Ų | 15 | 70.1 Ų | 70.1 | 8% | 0.079 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -64.6 | -44.8 | 176.1 | -66.8 | 168.7 | 0 | 0 | 0 | 111.3 | L9 K10 R11 L16 D17 L18 V21 F41 Y45 | L9-L13 HydrophobicContact CD1-CD1 4.35Å; L9-L13 HydrophobicContact CD1-CG 4.32Å; L9-L13 HydrophobicContact CG-CD1 4.12Å; L9-L13 WeakPolarHBondContact O-CG 3.49Å; L9-L13 PolarHBondContact O-N 2.93Å; K10-L13 WeakPolarHBondContact O-CB 3.45Å; K10-L13 PolarHBondContact O-N 2.83Å; K10-L13 VanDerWaalsContact O-N 3.14Å; R11-L13 VanDerWaalsContact C-N 3.29Å; R11-L13 PolarHBondContact O-N 3.37Å; L13-L16 CarbonylContact O-C 3.48Å; L13-L16 PolarHBondContact O-N 2.86Å; L13-D17 PolarHBondContact O-N 3.46Å; L13-L18 HydrophobicContact CB-CB 4.45Å; L13-L18 HydrophobicContact CD2-CB 3.81Å; L13-L18 HydrophobicContact CD2-CD1 4.34Å; L13-L18 PolarHBondContact O-N 3.4Å; L13-V21 HydrophobicContact CD1-CG2 3.44Å; L13-V21 VanDerWaalsContact CD1-CG2 3.44Å; L13-V21 HydrophobicContact CD2-CG2 4.04Å; L13-V21 HydrophobicContact CG-CG2 4.4Å; L13-F41 HydrophobicContact CD1-CE1 4.13Å; L13-Y45 HydrophobicContact CB-CE1 4.3Å; L13-Y45 HydrophobicContact CD1-CD1 4.25Å |
| 14 | D | 95.1 | Very high | 95.8 | Very high | 23 Ų | 23 | 76.1 Ų | 76.1 | 12% | 0.123 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -65.3 | -40.6 | 178.6 | -74.5 | -30.2 | 0 | 0 | 0 | 112.6 | K10 R11 L16 D17 Y45 Y118 R134 | K10-D14 IonicContact NZ-OD2 3.76Å; K10-D14 PolarHBondContact NZ-OD2 3.47Å; K10-D14 PolarHBondContact O-N 3.44Å; R11-D14 PolarHBondContact O-N 2.88Å; D14-L16 PolarHBondContact O-N 2.79Å; D14-D17 PolarHBondContact O-N 3.41Å; D14-D17 VanDerWaalsContact O-N 3.16Å; D14-Y45 PolarHBondContact OD1-OH 3.42Å; D14-Y45 PolarHBondContact OD2-OH 3.07Å; D14-Y118 HydrophobicContact CB-CE2 4.23Å; D14-Y118 PolarHBondContact OD2-OH 2.84Å; D14-R134 WeakPolarHBondContact OD1-CD 3.47Å; D14-R134 IonicContact OD1-CZ 2.82Å; D14-R134 IonicContact OD1-NE 3.37Å; D14-R134 IonicContact OD1-NH1 3.53Å; D14-R134 PolarHBondContact OD1-NH1 2.86Å |
| 15 | D | 95 | Very high | 95.4 | Very high | 124 Ų | 124 | 74.1 Ų | 74.1 | 66% | 0.663 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -65.1 | -27.6 | 176.7 | -67.8 | -21.9 | 0 | 0 | 0 | 112.2 | R11 | R11-D15 WeakPolarHBondContact O-CB 3.49Å; R11-D15 VanDerWaalsContact O-CG 3.24Å; R11-D15 PolarHBondContact O-N 3.06Å |
| 16 | L | 96.1 | Very high | 95.1 | Very high | 120 Ų | 120 | 66.9 Ų | 66.9 | 63% | 0.628 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.7 | 1.9 | 177.5 | -65.2 | 172.7 | 0 | 0 | 0 | 113.5 | S12 L13 D14 L18 | S12-L16 WeakPolarHBondContact O-CB 3.41Å; S12-L16 WeakPolarHBondContact O-CD1 3.42Å; S12-L16 WeakPolarHBondContact O-CG 3.41Å; S12-L16 PolarHBondContact O-N 2.97Å; S12-L16 VanDerWaalsContact O-N 3.16Å; L13-L16 CarbonylContact O-C 3.48Å; L13-L16 PolarHBondContact O-N 2.86Å; D14-L16 PolarHBondContact O-N 2.79Å; L16-L18 HydrophobicContact CB-CD1 3.84Å; L16-L18 HydrophobicContact CB-CG 3.83Å; L16-L18 HydrophobicContact CD1-CD1 3.99Å; L16-L18 PolarHBondContact O-N 2.83Å |
| 17 | D | 93.8 | Very high | 94.6 | Very high | 119 Ų | 119 | 68.9 Ų | 68.9 | 64% | 0.636 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.2 | 37.5 | -171 | -162.9 | 34.8 | 0 | 0 | 0 | 114 | L13 D14 R134 | L13-D17 PolarHBondContact O-N 3.46Å; D14-D17 PolarHBondContact O-N 3.41Å; D14-D17 VanDerWaalsContact O-N 3.16Å; D17-R134 IonicContact OD1-CZ 3.91Å; D17-R134 IonicContact OD1-NH2 2.64Å; D17-R134 PolarHBondContact OD1-NH2 3.35Å |
| 18 | L | 96.1 | Very high | 94 | Very high | 83 Ų | 83 | 76.8 Ų | 76.8 | 44% | 0.435 | 39% | 0.394 | S | S | . | . | trans | -96.1 | 149.5 | 176.4 | -63.7 | 175.4 | 0 | 0 | 0 | 111.1 | L13 L16 | L13-L18 HydrophobicContact CB-CB 4.45Å; L13-L18 HydrophobicContact CD2-CB 3.81Å; L13-L18 HydrophobicContact CD2-CD1 4.34Å; L13-L18 PolarHBondContact O-N 3.4Å; L16-L18 HydrophobicContact CB-CD1 3.84Å; L16-L18 HydrophobicContact CB-CG 3.83Å; L16-L18 HydrophobicContact CD1-CD1 3.99Å; L16-L18 PolarHBondContact O-N 2.83Å | ||
| 19 | S | 95.1 | Very high | 93.5 | Very high | 49 Ų | 49 | 78.2 Ų | 78.2 | 34% | 0.343 | 40% | 0.399 | S | S | . | . | trans | -131.5 | -20.1 | 176.4 | 53.1 | 0 | 0 | 0 | 0 | 113.9 | V44 Y45 T46 | S19-V44 WeakPolarHBondContact CB-O 3.49Å; S19-Y45 CarbonylContact O-C 3.53Å; S19-Y45 WeakPolarHBondContact O-CA 3.47Å; S19-T46 PolarHBondContact O-N 2.91Å | ||
| 20 | A | 96.8 | Very high | 93.1 | Very high | 68 Ų | 68 | 81 Ų | 81 | 56% | 0.562 | 41% | 0.405 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 130.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | T46 | A20-T46 WeakPolarHBondContact CA-OG1 3.42Å |
| 21 | V | 95.8 | Very high | 92.6 | Very high | 21 Ų | 21 | 87.3 Ų | 87.3 | 13% | 0.127 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 125.9 | 179.7 | -173 | 0 | 0 | 0 | 0 | 109 | L13 V23 T46 F47 D48 | L13-V21 HydrophobicContact CD1-CG2 3.44Å; L13-V21 VanDerWaalsContact CD1-CG2 3.44Å; L13-V21 HydrophobicContact CD2-CG2 4.04Å; L13-V21 HydrophobicContact CG-CG2 4.4Å; V21-V23 HydrophobicContact CG1-CG2 3.93Å; V21-T46 PolarHBondContact N-O 3.14Å; V21-F47 HydrophobicContact CB-CD1 3.74Å; V21-F47 HydrophobicContact CB-CE1 3.79Å; V21-F47 HydrophobicContact CB-CG 4.42Å; V21-F47 HydrophobicContact CB-CZ 4.49Å; V21-F47 HydrophobicContact CG1-CD1 3.96Å; V21-F47 HydrophobicContact CG1-CE1 3.86Å; V21-F47 HydrophobicContact CG2-CD1 4.34Å; V21-F47 HydrophobicContact CG2-CE1 3.96Å; V21-F47 HydrophobicContact CG2-CZ 4.23Å; V21-F47 CarbonylContact O-C 3.58Å; V21-F47 WeakPolarHBondContact O-CA 3.47Å; V21-D48 PolarHBondContact O-N 2.95Å |
| 22 | R | 94.8 | Very high | 92.2 | Very high | 169 Ų | 169 | 84.9 Ų | 84.9 | 64% | 0.638 | 43% | 0.432 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 129.2 | 169.1 | -171.3 | 172.3 | 173.7 | -176.9 | -1.2 | 109.8 | D48 D50 | R22-D48 CarbonylContact C-O 3.59Å; R22-D48 WeakPolarHBondContact CA-O 3.36Å; R22-D50 IonicContact CZ-OD2 3.52Å; R22-D50 IonicContact NE-OD2 2.76Å; R22-D50 IonicContact NH2-OD2 3.42Å; R22-D50 PolarHBondContact NH2-OD2 3.17Å |
| 23 | V | 93.6 | Very high | 91.9 | Very high | 25 Ų | 25 | 83.6 Ų | 83.6 | 15% | 0.152 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 118.4 | -175.1 | -176.1 | 0 | 0 | 0 | 0 | 109.9 | V21 T25 L33 F47 D48 Y49 D50 | V21-V23 HydrophobicContact CG1-CG2 3.93Å; V23-T25 HydrophobicContact CG1-CG2 4.24Å; V23-L33 HydrophobicContact CG1-CD1 4.14Å; V23-F47 HydrophobicContact CG2-CD1 3.84Å; V23-D48 PolarHBondContact N-O 2.7Å; V23-Y49 HydrophobicContact CB-CD1 3.75Å; V23-Y49 HydrophobicContact CB-CE1 3.89Å; V23-Y49 HydrophobicContact CB-CG 4.48Å; V23-Y49 HydrophobicContact CG1-CD1 3.89Å; V23-Y49 HydrophobicContact CG1-CE1 3.77Å; V23-Y49 HydrophobicContact CG2-CE1 4.33Å; V23-Y49 WeakPolarHBondContact O-CA 3.41Å; V23-D50 PolarHBondContact O-N 2.92Å |
| 24 | L | 92.3 | Very high | 91.6 | Very high | 127 Ų | 127 | 84.4 Ų | 84.4 | 67% | 0.665 | 43% | 0.428 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 117.2 | 171.8 | -67.2 | 161.4 | 0 | 0 | 0 | 108.7 | D50 | L24-D50 WeakPolarHBondContact CA-O 3.44Å; L24-D50 HydrophobicContact CD2-CB 3.56Å; L24-D50 WeakPolarHBondContact CD2-OD2 3.18Å |
| 25 | T | 89.9 | Confident | 91.4 | Very high | 14 Ų | 14 | 87.2 Ų | 87.2 | 9% | 0.086 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 178.6 | -173.5 | -162.5 | 0 | 0 | 0 | 0 | 113.7 | V23 R29 R30 Y49 D50 V51 T52 | V23-T25 HydrophobicContact CG1-CG2 4.24Å; T25-R29 WeakPolarHBondContact OG1-CB 3.24Å; T25-R30 HydrophobicContact CG2-CB 3.96Å; T25-Y49 HydrophobicContact CG2-CD1 3.72Å; T25-Y49 HydrophobicContact CG2-CE1 4.11Å; T25-D50 PolarHBondContact N-O 2.87Å; T25-D50 VanDerWaalsContact N-O 3.1Å; T25-V51 WeakPolarHBondContact O-CA 3.34Å; T25-T52 PolarHBondContact O-N 3.48Å; T25-T52 VanDerWaalsContact O-N 3.07Å; T25-T52 PolarHBondContact O-OG1 2.9Å |
| 26 | T | 89.1 | Confident | 91.4 | Very high | 38 Ų | 38 | 81.9 Ų | 81.9 | 23% | 0.233 | 41% | 0.408 | C | S | . | . | trans | -98.3 | 160.6 | 171.3 | 66.6 | 0 | 0 | 0 | 0 | 110.8 | R28 R29 R30 A54 | T26-R28 PolarHBondContact O-N 3.39Å; T26-R29 PolarHBondContact O-N 3.03Å; T26-R29 VanDerWaalsContact O-N 3.12Å; T26-R29 PolarHBondContact OG1-N 3.2Å; T26-R30 PolarHBondContact O-N 2.83Å; T26-A54 HydrophobicContact CG2-CB 3.72Å | ||
| 27 | A | 85.4 | Confident | 91.3 | Very high | 60 Ų | 60 | 77.3 Ų | 77.3 | 50% | 0.496 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -55.1 | -48.6 | -179 | 0 | 0 | 0 | 0 | 0 | 112.5 | R29 R30 E31 V51 | A27-R29 VanDerWaalsContact C-N 3.34Å; A27-R29 PolarHBondContact O-N 3.04Å; A27-R30 WeakPolarHBondContact O-CB 3.22Å; A27-R30 PolarHBondContact O-N 3.41Å; A27-E31 PolarHBondContact O-N 3.03Å; A27-V51 HydrophobicContact CB-CG1 4.12Å |
| 28 | R | 84.1 | Confident | 91.3 | Very high | 180 Ų | 180 | 77.3 Ų | 77.3 | 68% | 0.679 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -58.9 | -41.6 | 176.6 | -175.4 | 178.5 | 177.7 | -172.3 | -0.4 | 112.9 | T26 V32 | T26-R28 PolarHBondContact O-N 3.39Å; R28-V32 PolarHBondContact O-N 2.89Å |
| 29 | R | 86 | Confident | 91.2 | Very high | 170 Ų | 170 | 74 Ų | 74 | 64% | 0.642 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -72.3 | -29.7 | 179.6 | -76.7 | -178.3 | 177.2 | 178.5 | 0.8 | 112.4 | T25 T26 A27 V32 L33 | T25-R29 WeakPolarHBondContact OG1-CB 3.24Å; T26-R29 PolarHBondContact O-N 3.03Å; T26-R29 VanDerWaalsContact O-N 3.12Å; T26-R29 PolarHBondContact OG1-N 3.2Å; A27-R29 VanDerWaalsContact C-N 3.34Å; A27-R29 PolarHBondContact O-N 3.04Å; R29-V32 PolarHBondContact O-N 3.24Å; R29-L33 WeakPolarHBondContact O-CB 3.28Å; R29-L33 VanDerWaalsContact O-CG 3.29Å; R29-L33 WeakPolarHBondContact O-CG 3.38Å; R29-L33 PolarHBondContact O-N 3.07Å |
| 30 | R | 89.4 | Confident | 91.3 | Very high | 125 Ų | 125 | 71.8 Ų | 71.8 | 47% | 0.472 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61.5 | -44.8 | 174 | 176.6 | -179.4 | 171.8 | -171.3 | -1.7 | 111.4 | T25 T26 A27 V32 L33 A34 Y49 | T25-R30 HydrophobicContact CG2-CB 3.96Å; T26-R30 PolarHBondContact O-N 2.83Å; A27-R30 WeakPolarHBondContact O-CB 3.22Å; A27-R30 PolarHBondContact O-N 3.41Å; R30-V32 VanDerWaalsContact C-N 3.34Å; R30-V32 PolarHBondContact O-N 2.79Å; R30-L33 PolarHBondContact O-N 3.25Å; R30-A34 WeakPolarHBondContact O-CB 3.41Å; R30-A34 PolarHBondContact O-N 3Å; R30-Y49 HydrophobicContact CB-CD1 4.39Å; R30-Y49 HydrophobicContact CB-CE1 4.34Å; R30-Y49 HydrophobicContact CG-CD1 3.94Å; R30-Y49 HydrophobicContact CG-CE1 3.9Å; R30-Y49 HydrophobicContact CG-CG 4.23Å |
| 31 | E | 86.9 | Confident | 91.3 | Very high | 134 Ų | 134 | 69.1 Ų | 69.1 | 63% | 0.626 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -59.9 | -44.4 | 178.7 | -69.7 | 171.5 | -177.2 | 0 | 0 | 111.7 | A27 | A27-E31 PolarHBondContact O-N 3.03Å |
| 32 | V | 86.9 | Confident | 91.3 | Very high | 56 Ų | 56 | 69 Ų | 69 | 34% | 0.339 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64.3 | -48.4 | 176.1 | 178.2 | 0 | 0 | 0 | 0 | 111.1 | R28 R29 R30 A34 R35 Y36 | R28-V32 PolarHBondContact O-N 2.89Å; R29-V32 PolarHBondContact O-N 3.24Å; R30-V32 VanDerWaalsContact C-N 3.34Å; R30-V32 PolarHBondContact O-N 2.79Å; V32-A34 VanDerWaalsContact C-N 3.29Å; V32-A34 PolarHBondContact O-N 2.78Å; V32-R35 PolarHBondContact O-N 3.28Å; V32-Y36 HydrophobicContact CG1-CD2 4.35Å; V32-Y36 HydrophobicContact CG1-CE2 3.9Å; V32-Y36 WeakPolarHBondContact O-CD2 3.5Å |
| 33 | L | 90.6 | Very high | 91.3 | Very high | 36 Ų | 36 | 64.6 Ų | 64.6 | 19% | 0.188 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.7 | -34.7 | -179.4 | -76.4 | 171.4 | 0 | 0 | 0 | 113.1 | L6 V23 R29 R30 R35 Y36 Q37 Y49 | L6-L33 HydrophobicContact CD1-CD2 4.15Å; L6-L33 HydrophobicContact CD2-CD2 4.43Å; V23-L33 HydrophobicContact CG1-CD1 4.14Å; R29-L33 WeakPolarHBondContact O-CB 3.28Å; R29-L33 VanDerWaalsContact O-CG 3.29Å; R29-L33 WeakPolarHBondContact O-CG 3.38Å; R29-L33 PolarHBondContact O-N 3.07Å; R30-L33 PolarHBondContact O-N 3.25Å; L33-R35 PolarHBondContact O-N 3.3Å; L33-Y36 PolarHBondContact O-N 3.15Å; L33-Q37 WeakPolarHBondContact O-CG 3.37Å; L33-Q37 PolarHBondContact O-N 3.21Å; L33-Y49 HydrophobicContact CD1-CE1 4.42Å |
| 34 | A | 91.2 | Very high | 91.3 | Very high | 31 Ų | 31 | 65.4 Ų | 65.4 | 26% | 0.256 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -57.7 | -37 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | R30 V32 Q37 E38 | R30-A34 WeakPolarHBondContact O-CB 3.41Å; R30-A34 PolarHBondContact O-N 3Å; V32-A34 VanDerWaalsContact C-N 3.29Å; V32-A34 PolarHBondContact O-N 2.78Å; A34-Q37 WeakPolarHBondContact O-CB 3.42Å; A34-Q37 PolarHBondContact O-N 2.88Å; A34-E38 WeakPolarHBondContact O-CG 3.3Å; A34-E38 PolarHBondContact O-N 2.79Å |
| 35 | R | 91.3 | Very high | 91.5 | Very high | 83 Ų | 83 | 60 Ų | 60 | 31% | 0.313 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -66.3 | -46.3 | 178.4 | -57 | -50.3 | -177.3 | 168.1 | 9.4 | 112.7 | V32 L33 Q37 E38 M39 E72 A75 | V32-R35 PolarHBondContact O-N 3.28Å; L33-R35 PolarHBondContact O-N 3.3Å; R35-Q37 PolarHBondContact O-N 2.79Å; R35-E38 IonicContact NH1-OE1 2.78Å; R35-E38 IonicContact NH1-OE2 3.93Å; R35-E38 PolarHBondContact NH1-OE2 2.99Å; R35-E38 PolarHBondContact O-N 3.49Å; R35-M39 WeakPolarHBondContact O-CE 3.36Å; R35-M39 PolarHBondContact O-N 3.45Å; R35-E72 IonicContact CZ-OE1 2.76Å; R35-E72 VanDerWaalsContact CZ-OE1 3.23Å; R35-E72 IonicContact NE-OE1 2.76Å; R35-E72 IonicContact NH1-OE1 3.62Å; R35-E72 IonicContact NH2-OE1 3.62Å; R35-E72 PolarHBondContact NH2-OE1 3.45Å; R35-A75 HydrophobicContact CB-CB 4.17Å |
| 36 | Y | 94.7 | Very high | 91.8 | Very high | 11 Ų | 11 | 63.3 Ų | 63.3 | 4% | 0.043 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63 | -34.5 | 173.4 | -68.8 | -90.4 | 0 | 0 | 0 | 112.1 | T2 A3 L6 V32 L33 M39 L40 A75 E78 V79 | T2-Y36 HydrophobicContact CG2-CD1 4.11Å; T2-Y36 HydrophobicContact CG2-CD2 3.97Å; T2-Y36 HydrophobicContact CG2-CE1 3.98Å; T2-Y36 HydrophobicContact CG2-CE2 3.86Å; T2-Y36 HydrophobicContact CG2-CG 4.12Å; A3-Y36 HydrophobicContact CB-CD1 4.27Å; A3-Y36 HydrophobicContact CB-CE1 4.1Å; L6-Y36 HydrophobicContact CD1-CD1 4.24Å; L6-Y36 HydrophobicContact CD1-CG 3.77Å; V32-Y36 HydrophobicContact CG1-CD2 4.35Å; V32-Y36 HydrophobicContact CG1-CE2 3.9Å; V32-Y36 WeakPolarHBondContact O-CD2 3.5Å; L33-Y36 PolarHBondContact O-N 3.15Å; Y36-M39 PolarHBondContact O-N 2.98Å; Y36-L40 VanDerWaalsContact O-CB 3.3Å; Y36-L40 WeakPolarHBondContact O-CB 3.28Å; Y36-L40 PolarHBondContact O-N 3.5Å; Y36-A75 HydrophobicContact CD2-CB 4.21Å; Y36-A75 HydrophobicContact CE1-CB 4.23Å; Y36-A75 HydrophobicContact CE2-CB 3.69Å; Y36-E78 HydrophobicContact CE1-CB 4.48Å; Y36-E78 PolarHBondContact OH-OE2 3.48Å; Y36-V79 HydrophobicContact CD1-CG2 3.64Å; Y36-V79 HydrophobicContact CE1-CG2 3.92Å |
| 37 | Q | 94.1 | Very high | 92.1 | Very high | 25 Ų | 25 | 63.6 Ų | 63.6 | 12% | 0.117 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65.4 | -46 | 177.2 | -76.1 | 169.4 | 1.6 | 0 | 0 | 112.6 | L33 A34 R35 M39 L40 F41 F47 Y49 | L33-Q37 WeakPolarHBondContact O-CG 3.37Å; L33-Q37 PolarHBondContact O-N 3.21Å; A34-Q37 WeakPolarHBondContact O-CB 3.42Å; A34-Q37 PolarHBondContact O-N 2.88Å; R35-Q37 PolarHBondContact O-N 2.79Å; Q37-M39 PolarHBondContact O-N 2.94Å; Q37-L40 PolarHBondContact O-N 3.41Å; Q37-F41 HydrophobicContact CB-CD2 4.49Å; Q37-F41 HydrophobicContact CG-CD2 4.25Å; Q37-F41 WeakPolarHBondContact O-CA 3.29Å; Q37-F41 WeakPolarHBondContact O-CB 3.48Å; Q37-F41 PolarHBondContact O-N 3.39Å; Q37-F47 HydrophobicContact CG-CD2 4.37Å; Q37-F47 HydrophobicContact CG-CE1 4.24Å; Q37-F47 HydrophobicContact CG-CE2 4.08Å; Q37-F47 HydrophobicContact CG-CZ 4Å; Q37-F47 VanDerWaalsContact NE2-CE1 3.29Å; Q37-Y49 PolarHBondContact NE2-OH 2.91Å; Q37-Y49 PolarHBondContact OE1-OH 2.63Å |
| 38 | E | 93.1 | Very high | 92.5 | Very high | 118 Ų | 118 | 65.4 Ų | 65.4 | 55% | 0.551 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -56.4 | -32 | 175.8 | -73.6 | 168.6 | 178.5 | 0 | 0 | 112.4 | A34 R35 | A34-E38 WeakPolarHBondContact O-CG 3.3Å; A34-E38 PolarHBondContact O-N 2.79Å; R35-E38 IonicContact NH1-OE1 2.78Å; R35-E38 IonicContact NH1-OE2 3.93Å; R35-E38 PolarHBondContact NH1-OE2 2.99Å; R35-E38 PolarHBondContact O-N 3.49Å |
| 39 | M | 95.2 | Very high | 92.9 | Very high | 15 Ų | 15 | 58.6 Ų | 58.6 | 7% | 0.074 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -89.1 | -39.9 | -179.1 | -71.3 | -175.4 | -81.9 | 0 | 0 | 114.6 | R35 Y36 Q37 A75 E76 V79 P136 A138 | R35-M39 WeakPolarHBondContact O-CE 3.36Å; R35-M39 PolarHBondContact O-N 3.45Å; Y36-M39 PolarHBondContact O-N 2.98Å; Q37-M39 PolarHBondContact O-N 2.94Å; M39-A75 HydrophobicContact CE-CB 3.75Å; M39-E76 HydrophobicContact CE-CG 4.29Å; M39-E76 HydrophobicContact SD-CB 4.26Å; M39-E76 HydrophobicContact SD-CG 3.76Å; M39-V79 HydrophobicContact CB-CG1 4.37Å; M39-V79 HydrophobicContact CE-CB 4.41Å; M39-V79 HydrophobicContact CE-CG2 3.8Å; M39-V79 HydrophobicContact SD-CB 4.03Å; M39-V79 HydrophobicContact SD-CG1 4.29Å; M39-V79 HydrophobicContact SD-CG2 4.01Å; M39-P136 WeakPolarHBondContact O-CB 3.48Å; M39-A138 HydrophobicContact CB-CB 4.1Å; M39-A138 WeakPolarHBondContact O-CB 3.42Å; M39-A138 PolarHBondContact O-N 3.15Å |
| 40 | L | 96.2 | Very high | 93.2 | Very high | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -103.3 | -10.2 | -169.8 | -67.3 | 174.4 | 0 | 0 | 0 | 113.7 | A3 L6 K10 Y36 Q37 V79 P136 | A3-L40 HydrophobicContact CB-CD1 4.39Å; L6-L40 HydrophobicContact CB-CD1 3.92Å; K10-L40 WeakPolarHBondContact CD-O 3.4Å; K10-L40 WeakPolarHBondContact CE-O 3.32Å; Y36-L40 VanDerWaalsContact O-CB 3.3Å; Y36-L40 WeakPolarHBondContact O-CB 3.28Å; Y36-L40 PolarHBondContact O-N 3.5Å; Q37-L40 PolarHBondContact O-N 3.41Å; L40-V79 HydrophobicContact CD1-CG2 4.19Å; L40-V79 HydrophobicContact CD2-CG1 3.92Å; L40-V79 HydrophobicContact CG-CG1 4.33Å; L40-V79 HydrophobicContact CG-CG2 4.28Å; L40-P136 VanDerWaalsContact O-CB 3.25Å; L40-P136 WeakPolarHBondContact O-CB 3.46Å; L40-P136 VanDerWaalsContact O-CG 3.26Å; L40-P136 WeakPolarHBondContact O-CG 3.36Å |
| 41 | F | 96.5 | Very high | 93.1 | Very high | 12 Ų | 12 | 49.7 Ų | 49.7 | 5% | 0.053 | 27% | 0.267 | C | S | . | . | trans | -126.2 | 163.4 | 178.9 | -63.1 | -99.9 | 0 | 0 | 0 | 111 | L6 K10 L13 Q37 Y45 F47 | L6-F41 HydrophobicContact CB-CE2 4.25Å; L6-F41 HydrophobicContact CD2-CE2 4.49Å; K10-F41 HydrophobicContact CB-CD1 4.38Å; K10-F41 HydrophobicContact CB-CE1 3.6Å; K10-F41 HydrophobicContact CB-CZ 3.77Å; K10-F41 HydrophobicContact CD-CD1 4.35Å; K10-F41 HydrophobicContact CD-CE1 4.35Å; K10-F41 HydrophobicContact CG-CD1 4.08Å; K10-F41 HydrophobicContact CG-CE1 3.75Å; K10-F41 HydrophobicContact CG-CZ 4.36Å; L13-F41 HydrophobicContact CD1-CE1 4.13Å; Q37-F41 HydrophobicContact CB-CD2 4.49Å; Q37-F41 HydrophobicContact CG-CD2 4.25Å; Q37-F41 WeakPolarHBondContact O-CA 3.29Å; Q37-F41 WeakPolarHBondContact O-CB 3.48Å; Q37-F41 PolarHBondContact O-N 3.39Å; F41-Y45 HydrophobicContact CB-CD2 4.06Å; F41-Y45 HydrophobicContact CD1-CD1 4.04Å; F41-Y45 AromaticContact CD1-CD2 3.82Å; F41-Y45 HydrophobicContact CD1-CD2 3.82Å; F41-Y45 HydrophobicContact CD1-CE1 4.46Å; F41-Y45 HydrophobicContact CD1-CE2 4.25Å; F41-Y45 AromaticContact CD1-CG 3.71Å; F41-Y45 HydrophobicContact CD1-CG 3.71Å; F41-Y45 HydrophobicContact CE1-CD1 4.46Å; F41-Y45 HydrophobicContact CG-CD2 4.44Å; F41-F47 HydrophobicContact CB-CE2 4.17Å; F41-F47 AromaticContact CD1-CE2 3.83Å; F41-F47 HydrophobicContact CD1-CE2 3.83Å; F41-F47 AromaticContact CD1-CZ 3.66Å; F41-F47 HydrophobicContact CD1-CZ 3.66Å; F41-F47 HydrophobicContact CD2-CE2 4.32Å; F41-F47 HydrophobicContact CD2-CZ 4.03Å; F41-F47 HydrophobicContact CE1-CE2 4.28Å; F41-F47 AromaticContact CE1-CZ 3.64Å; F41-F47 HydrophobicContact CE1-CZ 3.64Å; F41-F47 AromaticContact CE2-CZ 4Å; F41-F47 HydrophobicContact CE2-CZ 4Å; F41-F47 AromaticContact CG-CE2 3.84Å; F41-F47 HydrophobicContact CG-CE2 3.84Å; F41-F47 AromaticContact CG-CZ 3.86Å; F41-F47 HydrophobicContact CG-CZ 3.86Å; F41-F47 AromaticContact CZ-CZ 3.81Å; F41-F47 HydrophobicContact CZ-CZ 3.81Å | ||
| 42 | T | 95.4 | Very high | 92.8 | Very high | 19 Ų | 19 | 46.8 Ų | 46.8 | 12% | 0.117 | 26% | 0.259 | C | S | . | . | trans | -117.2 | 177.8 | 173.2 | 66.3 | 0 | 0 | 0 | 0 | 110 | V44 Y45 R133 D135 P136 | T42-V44 PolarHBondContact O-N 3.16Å; T42-V44 PolarHBondContact OG1-N 3.5Å; T42-Y45 PolarHBondContact O-N 3.25Å; T42-Y45 VanDerWaalsContact O-N 3.07Å; T42-R133 VanDerWaalsContact CB-O 3.25Å; T42-R133 WeakPolarHBondContact CB-O 3.39Å; T42-R133 WeakPolarHBondContact CG2-O 3.47Å; T42-R133 PolarHBondContact OG1-O 2.92Å; T42-D135 WeakPolarHBondContact CG2-O 3.25Å; T42-P136 HydrophobicContact CG2-CB 4.24Å | ||
| 43 | A | 94.8 | Very high | 91.6 | Very high | 77 Ų | 77 | 52.9 Ų | 52.9 | 64% | 0.636 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -4.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y45 S131 | A43-Y45 PolarHBondContact O-N 3.17Å; A43-S131 PolarHBondContact N-O 2.99Å |
| 44 | V | 93.9 | Very high | 89.8 | Confident | 41 Ų | 41 | 53.5 Ų | 53.5 | 25% | 0.248 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -29.4 | 168.9 | 177.3 | 0 | 0 | 0 | 0 | 111.2 | S19 T42 R134 | S19-V44 WeakPolarHBondContact CB-O 3.49Å; T42-V44 PolarHBondContact O-N 3.16Å; T42-V44 PolarHBondContact OG1-N 3.5Å; V44-R134 HydrophobicContact CG1-CG 4.12Å |
| 45 | Y | 96.2 | Very high | 87.8 | Confident | 13 Ų | 13 | 59.4 Ų | 59.4 | 5% | 0.051 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -100.7 | 140.4 | -177.9 | -50.5 | -96.6 | 0 | 0 | 0 | 111.2 | K10 L13 D14 S19 F41 T42 A43 | K10-Y45 VanDerWaalsContact CE-OH 3.29Å; K10-Y45 WeakPolarHBondContact CE-OH 3.45Å; K10-Y45 HydrophobicContact CG-CE1 4.34Å; K10-Y45 PolarHBondContact NZ-OH 2.99Å; L13-Y45 HydrophobicContact CB-CE1 4.3Å; L13-Y45 HydrophobicContact CD1-CD1 4.25Å; D14-Y45 PolarHBondContact OD1-OH 3.42Å; D14-Y45 PolarHBondContact OD2-OH 3.07Å; S19-Y45 CarbonylContact O-C 3.53Å; S19-Y45 WeakPolarHBondContact O-CA 3.47Å; F41-Y45 HydrophobicContact CB-CD2 4.06Å; F41-Y45 HydrophobicContact CD1-CD1 4.04Å; F41-Y45 AromaticContact CD1-CD2 3.82Å; F41-Y45 HydrophobicContact CD1-CD2 3.82Å; F41-Y45 HydrophobicContact CD1-CE1 4.46Å; F41-Y45 HydrophobicContact CD1-CE2 4.25Å; F41-Y45 AromaticContact CD1-CG 3.71Å; F41-Y45 HydrophobicContact CD1-CG 3.71Å; F41-Y45 HydrophobicContact CE1-CD1 4.46Å; F41-Y45 HydrophobicContact CG-CD2 4.44Å; T42-Y45 PolarHBondContact O-N 3.25Å; T42-Y45 VanDerWaalsContact O-N 3.07Å; A43-Y45 PolarHBondContact O-N 3.17Å |
| 46 | T | 96.2 | Very high | 85.7 | Confident | 84 Ų | 84 | 64.8 Ų | 64.8 | 52% | 0.515 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 132.9 | 175.4 | 55.6 | 0 | 0 | 0 | 0 | 110.1 | S19 A20 V21 | S19-T46 PolarHBondContact O-N 2.91Å; A20-T46 WeakPolarHBondContact CA-OG1 3.42Å; V21-T46 PolarHBondContact N-O 3.14Å |
| 47 | F | 95.3 | Very high | 83.5 | Confident | 44 Ų | 44 | 71.8 Ų | 71.8 | 19% | 0.193 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 112.4 | 178.5 | -72.9 | -94.1 | 0 | 0 | 0 | 109.9 | V21 V23 Q37 F41 Y49 | V21-F47 HydrophobicContact CB-CD1 3.74Å; V21-F47 HydrophobicContact CB-CE1 3.79Å; V21-F47 HydrophobicContact CB-CG 4.42Å; V21-F47 HydrophobicContact CB-CZ 4.49Å; V21-F47 HydrophobicContact CG1-CD1 3.96Å; V21-F47 HydrophobicContact CG1-CE1 3.86Å; V21-F47 HydrophobicContact CG2-CD1 4.34Å; V21-F47 HydrophobicContact CG2-CE1 3.96Å; V21-F47 HydrophobicContact CG2-CZ 4.23Å; V21-F47 CarbonylContact O-C 3.58Å; V21-F47 WeakPolarHBondContact O-CA 3.47Å; V23-F47 HydrophobicContact CG2-CD1 3.84Å; Q37-F47 HydrophobicContact CG-CD2 4.37Å; Q37-F47 HydrophobicContact CG-CE1 4.24Å; Q37-F47 HydrophobicContact CG-CE2 4.08Å; Q37-F47 HydrophobicContact CG-CZ 4Å; Q37-F47 VanDerWaalsContact NE2-CE1 3.29Å; F41-F47 HydrophobicContact CB-CE2 4.17Å; F41-F47 AromaticContact CD1-CE2 3.83Å; F41-F47 HydrophobicContact CD1-CE2 3.83Å; F41-F47 AromaticContact CD1-CZ 3.66Å; F41-F47 HydrophobicContact CD1-CZ 3.66Å; F41-F47 HydrophobicContact CD2-CE2 4.32Å; F41-F47 HydrophobicContact CD2-CZ 4.03Å; F41-F47 HydrophobicContact CE1-CE2 4.28Å; F41-F47 AromaticContact CE1-CZ 3.64Å; F41-F47 HydrophobicContact CE1-CZ 3.64Å; F41-F47 AromaticContact CE2-CZ 4Å; F41-F47 HydrophobicContact CE2-CZ 4Å; F41-F47 AromaticContact CG-CE2 3.84Å; F41-F47 HydrophobicContact CG-CE2 3.84Å; F41-F47 AromaticContact CG-CZ 3.86Å; F41-F47 HydrophobicContact CG-CZ 3.86Å; F41-F47 AromaticContact CZ-CZ 3.81Å; F41-F47 HydrophobicContact CZ-CZ 3.81Å; F47-Y49 HydrophobicContact CB-CD2 4.26Å; F47-Y49 HydrophobicContact CB-CE2 3.75Å |
| 48 | D | 94.4 | Very high | 81.1 | Confident | 99 Ų | 99 | 77.1 Ų | 77.1 | 53% | 0.529 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 120.7 | 172.8 | -178.6 | 27.5 | 0 | 0 | 0 | 109.7 | V21 R22 V23 | V21-D48 PolarHBondContact O-N 2.95Å; R22-D48 CarbonylContact C-O 3.59Å; R22-D48 WeakPolarHBondContact CA-O 3.36Å; V23-D48 PolarHBondContact N-O 2.7Å |
| 49 | Y | 92.6 | Very high | 78.8 | Confident | 37 Ų | 37 | 75.3 Ų | 75.3 | 15% | 0.145 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 116 | -173.1 | -77.5 | -86.3 | 0 | 0 | 0 | 111.4 | V23 T25 R30 L33 Q37 F47 | V23-Y49 HydrophobicContact CB-CD1 3.75Å; V23-Y49 HydrophobicContact CB-CE1 3.89Å; V23-Y49 HydrophobicContact CB-CG 4.48Å; V23-Y49 HydrophobicContact CG1-CD1 3.89Å; V23-Y49 HydrophobicContact CG1-CE1 3.77Å; V23-Y49 HydrophobicContact CG2-CE1 4.33Å; V23-Y49 WeakPolarHBondContact O-CA 3.41Å; T25-Y49 HydrophobicContact CG2-CD1 3.72Å; T25-Y49 HydrophobicContact CG2-CE1 4.11Å; R30-Y49 HydrophobicContact CB-CD1 4.39Å; R30-Y49 HydrophobicContact CB-CE1 4.34Å; R30-Y49 HydrophobicContact CG-CD1 3.94Å; R30-Y49 HydrophobicContact CG-CE1 3.9Å; R30-Y49 HydrophobicContact CG-CG 4.23Å; L33-Y49 HydrophobicContact CD1-CE1 4.42Å; Q37-Y49 PolarHBondContact NE2-OH 2.91Å; Q37-Y49 PolarHBondContact OE1-OH 2.63Å; F47-Y49 HydrophobicContact CB-CD2 4.26Å; F47-Y49 HydrophobicContact CB-CE2 3.75Å |
| 50 | D | 92.2 | Very high | 76.5 | Confident | 58 Ų | 58 | 79.7 Ų | 79.7 | 31% | 0.31 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 96.7 | 170.5 | -171.6 | -15.2 | 0 | 0 | 0 | 108.1 | R22 V23 L24 T25 | R22-D50 IonicContact CZ-OD2 3.52Å; R22-D50 IonicContact NE-OD2 2.76Å; R22-D50 IonicContact NH2-OD2 3.42Å; R22-D50 PolarHBondContact NH2-OD2 3.17Å; V23-D50 PolarHBondContact O-N 2.92Å; L24-D50 WeakPolarHBondContact CA-O 3.44Å; L24-D50 HydrophobicContact CD2-CB 3.56Å; L24-D50 WeakPolarHBondContact CD2-OD2 3.18Å; T25-D50 PolarHBondContact N-O 2.87Å; T25-D50 VanDerWaalsContact N-O 3.1Å |
| 51 | V | 86.9 | Confident | 74 | Confident | 49 Ų | 49 | 86.3 Ų | 86.3 | 30% | 0.297 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 106.7 | -172.7 | -175.9 | 0 | 0 | 0 | 0 | 109.7 | T25 A27 | T25-V51 WeakPolarHBondContact O-CA 3.34Å; A27-V51 HydrophobicContact CB-CG1 4.12Å |
| 52 | T | 81.1 | Confident | 71.4 | Confident | 74 Ų | 74 | 90.5 Ų | 90.5 | 45% | 0.454 | 52% | 0.515 | S | S | . | . | trans | -75.3 | 130.5 | 172.3 | 58 | 0 | 0 | 0 | 0 | 109.8 | T25 A54 | T25-T52 PolarHBondContact O-N 3.48Å; T25-T52 VanDerWaalsContact O-N 3.07Å; T25-T52 PolarHBondContact O-OG1 2.9Å; T52-A54 PolarHBondContact O-N 2.9Å | ||
| 53 | Q | 62.2 | Low | 68.7 | Low | 184 Ų | 184 | 96 Ų | 96 | 86% | 0.86 | 55% | 0.553 | S | S | * | * | trans | -67.6 | 94.8 | 168.7 | -72.9 | -159.4 | -16.3 | 0 | 0 | 109.2 | D55 | Q53-D55 PolarHBondContact O-N 2.87Š| ||
| 54 | A | 53.6 | Low | 66.2 | Low | 49 Ų | 49 | 95.5 Ų | 95.5 | 41% | 0.405 | 56% | 0.555 | S | S | . | * | trans | -80 | 63 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | T26 T52 K56 | T26-A54 HydrophobicContact CG2-CB 3.72Å; T52-A54 PolarHBondContact O-N 2.9Å; A54-K56 VanDerWaalsContact C-N 3.31Å | ||
| 55 | D | 48.5 | Very low | 63.6 | Low | 155 Ų | 155 | 97.9 Ų | 97.9 | 83% | 0.829 | 57% | 0.574 | S | S | * | * | S | Bend | trans | -92.1 | 6.6 | 158.3 | -82.5 | -7 | 0 | 0 | 0 | 111.6 | Q53 | Q53-D55 PolarHBondContact O-N 2.87Š|
| 56 | K | 45.9 | Very low | 60.9 | Low | 196 Ų | 196 | 100.9 Ų | 100.9 | 85% | 0.852 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -133.2 | 14.5 | -177.6 | -72.7 | -168.6 | 179.2 | 180 | 0 | 116.7 | A54 | A54-K56 VanDerWaalsContact C-N 3.31Š|
| 57 | L | 48.5 | Very low | 58.2 | Low | 157 Ų | 157 | 103 Ų | 103 | 82% | 0.822 | 61% | 0.605 | S | S | * | * | trans | -136.2 | 62.6 | 176 | -78.8 | 156.8 | 0 | 0 | 0 | 110.4 | C59 | L57-C59 PolarHBondContact O-N 3.47Š| ||
| 58 | T | 44.5 | Very low | 55.6 | Low | 138 Ų | 138 | 107.4 Ų | 107.4 | 85% | 0.847 | 64% | 0.636 | S | S | * | * | trans | -78.6 | 109.7 | 156.5 | 44 | 0 | 0 | 0 | 0 | 107.6 | S60 | T58-S60 PolarHBondContact O-N 3.37Š| ||
| 59 | C | 44.3 | Very low | 53.3 | Low | 80 Ų | 80 | 107.5 Ų | 107.5 | 54% | 0.541 | 64% | 0.637 | S | S | . | * | trans | -65.1 | 118.5 | 161.1 | 177.6 | 0 | 0 | 0 | 0 | 106.7 | L57 D61 C62 | L57-C59 PolarHBondContact O-N 3.47Å; C59-D61 PolarHBondContact O-N 2.86Å; C59-C62 HydrophobicContact CB-CB 4.25Å; C59-C62 PolarHBondContact O-N 2.83Å | ||
| 60 | S | 47.2 | Very low | 51.4 | Low | 107 Ų | 107 | 109.3 Ų | 109.3 | 75% | 0.748 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61 | -14 | -176.8 | 51 | 0 | 0 | 0 | 0 | 114.1 | T58 | T58-S60 PolarHBondContact O-N 3.37Š|
| 61 | D | 43.7 | Very low | 49.8 | Very low | 139 Ų | 139 | 109.7 Ų | 109.7 | 74% | 0.743 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.8 | 2.5 | -173.2 | -61.2 | -23.1 | 0 | 0 | 0 | 113.8 | C59 C63 | C59-D61 PolarHBondContact O-N 2.86Å; D61-C63 PolarHBondContact O-N 2.99Å |
| 62 | C | 42.2 | Very low | 48.6 | Very low | 101 Ų | 101 | 111.5 Ų | 111.5 | 68% | 0.682 | 67% | 0.666 | S | S | * | * | trans | -94.3 | 69.9 | -180 | -70.4 | 0 | 0 | 0 | 0 | 111.8 | C59 G64 | C59-C62 HydrophobicContact CB-CB 4.25Å; C59-C62 PolarHBondContact O-N 2.83Å; C62-G64 VanDerWaalsContact C-N 3.33Å; C62-G64 PolarHBondContact O-N 2.84Å; C62-G64 VanDerWaalsContact O-N 3.14Å | ||
| 63 | C | 39.3 | Very low | 48 | Very low | 133 Ų | 133 | 109.7 Ų | 109.7 | 90% | 0.899 | 66% | 0.661 | S | S | * | * | trans | -80.6 | 79.6 | 165.7 | -70.6 | 0 | 0 | 0 | 0 | 109.9 | D61 | D61-C63 PolarHBondContact O-N 2.99Š| ||
| 64 | G | 40.6 | Very low | 49.1 | Very low | 67 Ų | 67 | 106.1 Ų | 106.1 | 69% | 0.691 | 65% | 0.645 | S | S | * | * | trans | -96 | 122.5 | 164.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | C62 A66 | C62-G64 VanDerWaalsContact C-N 3.33Å; C62-G64 PolarHBondContact O-N 2.84Å; C62-G64 VanDerWaalsContact O-N 3.14Å; G64-A66 PolarHBondContact O-N 3.04Å | ||
| 65 | S | 40 | Very low | 50.8 | Low | 91 Ų | 91 | 103.9 Ų | 103.9 | 64% | 0.636 | 63% | 0.626 | S | S | * | * | trans | -51.8 | 125.5 | 177.4 | 46.1 | 0 | 0 | 0 | 0 | 110.6 | H67 | S65-H67 VanDerWaalsContact C-N 3.35Å; S65-H67 PolarHBondContact O-N 3.41Å; S65-H67 PolarHBondContact OG-CD2 3.28Å; S65-H67 PolarHBondContact OG-NE2 2.81Å; S65-H67 VanDerWaalsContact OG-NE2 3.13Å | ||
| 66 | A | 39.6 | Very low | 52.9 | Low | 77 Ų | 77 | 101.9 Ų | 101.9 | 64% | 0.636 | 61% | 0.612 | S | S | * | * | trans | -68.8 | 96.1 | 168.2 | 0 | 0 | 0 | 0 | 0 | 107.9 | G64 | G64-A66 PolarHBondContact O-N 3.04Š| ||
| 67 | H | 39.8 | Very low | 55.1 | Low | 127 Ų | 127 | 99.4 Ų | 99.4 | 59% | 0.588 | 60% | 0.603 | S | S | * | * | trans | -72.8 | 125.5 | 162.9 | -75 | -81.1 | 0 | 0 | 0 | 108.2 | S65 D69 | S65-H67 VanDerWaalsContact C-N 3.35Å; S65-H67 PolarHBondContact O-N 3.41Å; S65-H67 PolarHBondContact OG-CD2 3.28Å; S65-H67 PolarHBondContact OG-NE2 2.81Å; S65-H67 VanDerWaalsContact OG-NE2 3.13Å; H67-D69 PolarHBondContact O-N 2.82Å | ||
| 68 | T | 40.3 | Very low | 57.4 | Low | 138 Ų | 138 | 94.5 Ų | 94.5 | 85% | 0.847 | 58% | 0.576 | S | S | * | * | trans | -85.6 | 29.8 | 178.3 | 46.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 69 | D | 45.7 | Very low | 59.9 | Low | 100 Ų | 100 | 88 Ų | 88 | 54% | 0.535 | 54% | 0.536 | S | S | . | . | S | Bend | trans | -89.9 | 143.4 | 177.6 | -67.5 | -41.3 | 0 | 0 | 0 | 109.4 | H67 P71 | H67-D69 PolarHBondContact O-N 2.82Å; D69-P71 WeakPolarHBondContact O-CD 3.06Å |
| 70 | S | 52.7 | Low | 62.3 | Low | 76 Ų | 76 | 86.7 Ų | 86.7 | 53% | 0.531 | 53% | 0.528 | S | S | . | . | trans | -62.1 | 120.9 | 179.3 | -178.5 | 0 | 0 | 0 | 0 | 109 | E72 G73 | S70-E72 PolarHBondContact O-N 2.81Å; S70-G73 PolarHBondContact O-N 3.39Å | ||
| 71 | P | 60.2 | Low | 64.7 | Low | 65 Ų | 65 | 83.8 Ų | 83.8 | 42% | 0.422 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.3 | -5.7 | -176.2 | 24 | -32.5 | 0 | 0 | 0 | 114.3 | D69 | D69-P71 WeakPolarHBondContact O-CD 3.06Å |
| 72 | E | 60.8 | Low | 67.2 | Low | 88 Ų | 88 | 78.1 Ų | 78.1 | 41% | 0.411 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -70.6 | -49.4 | 177.7 | -69.2 | 179.8 | 165.8 | 0 | 0 | 112.3 | R35 S70 E74 A75 E76 | R35-E72 IonicContact CZ-OE1 2.76Å; R35-E72 VanDerWaalsContact CZ-OE1 3.23Å; R35-E72 IonicContact NE-OE1 2.76Å; R35-E72 IonicContact NH1-OE1 3.62Å; R35-E72 IonicContact NH2-OE1 3.62Å; R35-E72 PolarHBondContact NH2-OE1 3.45Å; S70-E72 PolarHBondContact O-N 2.81Å; E72-E74 PolarHBondContact O-N 3.46Å; E72-A75 PolarHBondContact O-N 3Å; E72-E76 PolarHBondContact O-N 3.37Å |
| 73 | G | 68.4 | Low | 69.9 | Low | 35 Ų | 35 | 73.4 Ų | 73.4 | 36% | 0.361 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -65.7 | -40.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | S70 A75 E76 E77 | S70-G73 PolarHBondContact O-N 3.39Å; G73-A75 PolarHBondContact O-N 3.48Å; G73-E76 PolarHBondContact O-N 2.84Å; G73-E77 WeakPolarHBondContact O-CG 3.27Å; G73-E77 PolarHBondContact O-N 2.87Å; G73-E77 VanDerWaalsContact O-N 3.14Å |
| 74 | E | 84.9 | Confident | 72.7 | Confident | 109 Ų | 109 | 71.2 Ų | 71.2 | 51% | 0.509 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -64.2 | -38.4 | 179.8 | -66 | -177.5 | 176.8 | 0 | 0 | 112.5 | E72 E78 | E72-E74 PolarHBondContact O-N 3.46Å; E74-E78 VanDerWaalsContact O-CB 3.28Å; E74-E78 WeakPolarHBondContact O-CB 3.28Å; E74-E78 PolarHBondContact O-N 3.23Å |
| 75 | A | 89.8 | Confident | 75.4 | Confident | 2 Ų | 2 | 75.4 Ų | 75.4 | 2% | 0.017 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -71.1 | -42.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112 | R35 Y36 M39 E72 G73 E78 V79 | R35-A75 HydrophobicContact CB-CB 4.17Å; Y36-A75 HydrophobicContact CD2-CB 4.21Å; Y36-A75 HydrophobicContact CE1-CB 4.23Å; Y36-A75 HydrophobicContact CE2-CB 3.69Å; M39-A75 HydrophobicContact CE-CB 3.75Å; E72-A75 PolarHBondContact O-N 3Å; G73-A75 PolarHBondContact O-N 3.48Å; A75-E78 PolarHBondContact O-N 2.87Å; A75-V79 WeakPolarHBondContact O-CB 3.47Å; A75-V79 VanDerWaalsContact O-CG2 3.31Å; A75-V79 WeakPolarHBondContact O-CG2 3.32Å; A75-V79 PolarHBondContact O-N 2.85Å |
| 76 | E | 91.8 | Very high | 78.1 | Confident | 113 Ų | 113 | 72.5 Ų | 72.5 | 53% | 0.528 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -63.4 | -45.5 | 178.1 | -69.6 | -173.4 | 167.9 | 0 | 0 | 111.4 | M39 E72 G73 V79 S80 | M39-E76 HydrophobicContact CE-CG 4.29Å; M39-E76 HydrophobicContact SD-CB 4.26Å; M39-E76 HydrophobicContact SD-CG 3.76Å; E72-E76 PolarHBondContact O-N 3.37Å; G73-E76 PolarHBondContact O-N 2.84Å; E76-V79 PolarHBondContact O-N 3.33Å; E76-S80 VanDerWaalsContact O-CB 3.25Å; E76-S80 WeakPolarHBondContact O-CB 3.42Å; E76-S80 PolarHBondContact O-N 3.47Å |
| 77 | E | 93.2 | Very high | 80.9 | Confident | 144 Ų | 144 | 73.4 Ų | 73.4 | 67% | 0.673 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -62.1 | -44.7 | 175.5 | -72.7 | -179.4 | -174.9 | 0 | 0 | 111.7 | G73 S80 A81 | G73-E77 WeakPolarHBondContact O-CG 3.27Å; G73-E77 PolarHBondContact O-N 2.87Å; G73-E77 VanDerWaalsContact O-N 3.14Å; E77-S80 PolarHBondContact O-N 2.89Å; E77-A81 WeakPolarHBondContact O-CB 3.46Å; E77-A81 PolarHBondContact O-N 3.38Å |
| 78 | E | 95.6 | Very high | 83.6 | Confident | 54 Ų | 54 | 69.7 Ų | 69.7 | 25% | 0.252 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -63.3 | -44.5 | 179.1 | -164.2 | -162.1 | 120.2 | 0 | 0 | 111.9 | S1 T2 A3 Y36 E74 A75 F82 | S1-E78 WeakPolarHBondContact CB-OE1 3.32Å; S1-E78 PolarHBondContact OG-OE1 3.21Å; T2-E78 WeakPolarHBondContact CA-OE1 3.44Å; T2-E78 WeakPolarHBondContact CB-OE1 3.14Å; T2-E78 PolarHBondContact N-OE1 2.9Å; A3-E78 HydrophobicContact CB-CG 4.42Å; A3-E78 WeakPolarHBondContact CB-OE1 3.48Å; A3-E78 PolarHBondContact N-OE1 3.04Å; Y36-E78 HydrophobicContact CE1-CB 4.48Å; Y36-E78 PolarHBondContact OH-OE2 3.48Å; E74-E78 VanDerWaalsContact O-CB 3.28Å; E74-E78 WeakPolarHBondContact O-CB 3.28Å; E74-E78 PolarHBondContact O-N 3.23Å; A75-E78 PolarHBondContact O-N 2.87Å; E78-F82 VanDerWaalsContact O-CB 3.29Å; E78-F82 WeakPolarHBondContact O-CB 3.45Å; E78-F82 PolarHBondContact O-N 2.75Å |
| 79 | V | 97 | Very high | 86.4 | Confident | 2 Ų | 2 | 65.9 Ų | 65.9 | 1% | 0.012 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -63.8 | -47.7 | 177.3 | 169.1 | 0 | 0 | 0 | 0 | 110.6 | A3 Y36 M39 L40 A75 E76 F82 L83 A138 | A3-V79 HydrophobicContact CB-CB 4.42Å; A3-V79 HydrophobicContact CB-CG2 3.79Å; Y36-V79 HydrophobicContact CD1-CG2 3.64Å; Y36-V79 HydrophobicContact CE1-CG2 3.92Å; M39-V79 HydrophobicContact CB-CG1 4.37Å; M39-V79 HydrophobicContact CE-CB 4.41Å; M39-V79 HydrophobicContact CE-CG2 3.8Å; M39-V79 HydrophobicContact SD-CB 4.03Å; M39-V79 HydrophobicContact SD-CG1 4.29Å; M39-V79 HydrophobicContact SD-CG2 4.01Å; L40-V79 HydrophobicContact CD1-CG2 4.19Å; L40-V79 HydrophobicContact CD2-CG1 3.92Å; L40-V79 HydrophobicContact CG-CG1 4.33Å; L40-V79 HydrophobicContact CG-CG2 4.28Å; A75-V79 WeakPolarHBondContact O-CB 3.47Å; A75-V79 VanDerWaalsContact O-CG2 3.31Å; A75-V79 WeakPolarHBondContact O-CG2 3.32Å; A75-V79 PolarHBondContact O-N 2.85Å; E76-V79 PolarHBondContact O-N 3.33Å; V79-F82 PolarHBondContact O-N 3.3Å; V79-L83 HydrophobicContact CG1-CD1 3.82Å; V79-L83 HydrophobicContact CG1-CG 4.31Å; V79-L83 VanDerWaalsContact O-CG 3.31Å; V79-L83 WeakPolarHBondContact O-CG 3.46Å; V79-L83 PolarHBondContact O-N 3.08Å; V79-A138 HydrophobicContact CG1-CB 3.73Å |
| 80 | S | 95.8 | Very high | 88.8 | Confident | 52 Ų | 52 | 66 Ų | 66 | 36% | 0.364 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -60.5 | -49.4 | 178.8 | -176 | 0 | 0 | 0 | 0 | 111.5 | E76 E77 F82 L83 Q84 | E76-S80 VanDerWaalsContact O-CB 3.25Å; E76-S80 WeakPolarHBondContact O-CB 3.42Å; E76-S80 PolarHBondContact O-N 3.47Å; E77-S80 PolarHBondContact O-N 2.89Å; S80-F82 VanDerWaalsContact C-N 3.32Å; S80-F82 PolarHBondContact O-N 3.08Å; S80-L83 PolarHBondContact O-N 3.08Å; S80-Q84 WeakPolarHBondContact O-CB 3.22Å; S80-Q84 VanDerWaalsContact O-CG 3.26Å; S80-Q84 WeakPolarHBondContact O-CG 3.24Å; S80-Q84 PolarHBondContact O-N 2.79Å; S80-Q84 PolarHBondContact OG-NE2 2.72Å |
| 81 | A | 96.9 | Very high | 90.8 | Very high | 47 Ų | 47 | 64.5 Ų | 64.5 | 39% | 0.388 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -60.1 | -41.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112 | E77 Q85 | E77-A81 WeakPolarHBondContact O-CB 3.46Å; E77-A81 PolarHBondContact O-N 3.38Å; A81-Q85 VanDerWaalsContact O-CG 3.32Å; A81-Q85 WeakPolarHBondContact O-CG 3.41Å; A81-Q85 PolarHBondContact O-N 3.29Å |
| 82 | F | 97.9 | Very high | 92.6 | Very high | 19 Ų | 19 | 67.9 Ų | 67.9 | 8% | 0.083 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -64.6 | -48.8 | 176 | 168.7 | -108.1 | 0 | 0 | 0 | 112.4 | A3 E4 Y7 E78 V79 S80 Q84 Q85 L86 | A3-F82 HydrophobicContact CB-CB 4.07Å; A3-F82 HydrophobicContact CB-CD1 4.13Å; A3-F82 HydrophobicContact CB-CG 4.24Å; E4-F82 HydrophobicContact CB-CD2 3.79Å; E4-F82 HydrophobicContact CB-CE2 3.57Å; E4-F82 HydrophobicContact CB-CG 4.43Å; E4-F82 HydrophobicContact CB-CZ 4.03Å; E4-F82 HydrophobicContact CG-CD2 4.24Å; E4-F82 HydrophobicContact CG-CE2 3.59Å; E4-F82 HydrophobicContact CG-CZ 4.1Å; Y7-F82 AromaticContact CD1-CE1 3.91Å; Y7-F82 HydrophobicContact CD1-CE1 3.91Å; Y7-F82 AromaticContact CD1-CZ 3.77Å; Y7-F82 HydrophobicContact CD1-CZ 3.77Å; Y7-F82 HydrophobicContact CD2-CE1 4.05Å; Y7-F82 HydrophobicContact CE1-CZ 4.39Å; Y7-F82 AromaticContact CG-CE1 3.58Å; Y7-F82 HydrophobicContact CG-CE1 3.58Å; Y7-F82 AromaticContact CG-CZ 3.95Å; Y7-F82 HydrophobicContact CG-CZ 3.95Å; E78-F82 VanDerWaalsContact O-CB 3.29Å; E78-F82 WeakPolarHBondContact O-CB 3.45Å; E78-F82 PolarHBondContact O-N 2.75Å; V79-F82 PolarHBondContact O-N 3.3Å; S80-F82 VanDerWaalsContact C-N 3.32Å; S80-F82 PolarHBondContact O-N 3.08Å; F82-Q84 VanDerWaalsContact C-N 3.31Å; F82-Q84 PolarHBondContact O-N 3Å; F82-Q85 WeakPolarHBondContact O-CB 3.44Å; F82-Q85 PolarHBondContact O-N 2.96Å; F82-Q85 VanDerWaalsContact O-N 3.14Å; F82-L86 HydrophobicContact CE1-CD1 4.43Å; F82-L86 HydrophobicContact CE1-CD2 4.46Å; F82-L86 HydrophobicContact CE2-CD2 4.18Å; F82-L86 HydrophobicContact CZ-CD2 3.87Å; F82-L86 HydrophobicContact CZ-CG 4.47Å |
| 83 | L | 98.1 | Very high | 94.4 | Very high | 3 Ų | 3 | 64.7 Ų | 64.7 | 2% | 0.016 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -64.9 | -35.2 | -178.2 | -69.3 | 176.6 | 0 | 0 | 0 | 112.4 | Y7 V79 S80 Q85 L86 A138 V139 E142 | Y7-L83 HydrophobicContact CD2-CD2 4.4Å; Y7-L83 HydrophobicContact CE2-CD2 4.4Å; V79-L83 HydrophobicContact CG1-CD1 3.82Å; V79-L83 HydrophobicContact CG1-CG 4.31Å; V79-L83 VanDerWaalsContact O-CG 3.31Å; V79-L83 WeakPolarHBondContact O-CG 3.46Å; V79-L83 PolarHBondContact O-N 3.08Å; S80-L83 PolarHBondContact O-N 3.08Å; L83-Q85 PolarHBondContact O-N 3.21Å; L83-L86 HydrophobicContact CD2-CD1 3.69Å; L83-L86 WeakPolarHBondContact O-CB 3.1Å; L83-L86 PolarHBondContact O-N 2.8Å; L83-L86 VanDerWaalsContact O-N 3.15Å; L83-A138 VanDerWaalsContact CD1-C 3.48Å; L83-A138 HydrophobicContact CD1-CB 3.69Å; L83-A138 WeakPolarHBondContact CD1-O 3.38Å; L83-V139 HydrophobicContact CD1-CG2 4.37Å; L83-V139 HydrophobicContact CD2-CG2 3.99Å; L83-E142 HydrophobicContact CB-CB 4.16Å; L83-E142 HydrophobicContact CB-CG 4.15Å; L83-E142 HydrophobicContact CD1-CB 4.5Å |
| 84 | Q | 97.2 | Very high | 95.8 | Very high | 87 Ų | 87 | 68.4 Ų | 68.4 | 41% | 0.407 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -64.3 | -25.4 | 175.7 | -73.6 | 179.6 | 42.2 | 0 | 0 | 113.3 | S80 F82 E142 | S80-Q84 WeakPolarHBondContact O-CB 3.22Å; S80-Q84 VanDerWaalsContact O-CG 3.26Å; S80-Q84 WeakPolarHBondContact O-CG 3.24Å; S80-Q84 PolarHBondContact O-N 2.79Å; S80-Q84 PolarHBondContact OG-NE2 2.72Å; F82-Q84 VanDerWaalsContact C-N 3.31Å; F82-Q84 PolarHBondContact O-N 3Å; Q84-E142 VanDerWaalsContact CG-OE2 3.3Å; Q84-E142 WeakPolarHBondContact CG-OE2 3.26Å |
| 85 | Q | 97.3 | Very high | 96.4 | Very high | 155 Ų | 155 | 65 Ų | 65 | 72% | 0.724 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -14 | 176.7 | -67.5 | 169.5 | 13.8 | 0 | 0 | 113.3 | A81 F82 L83 | A81-Q85 VanDerWaalsContact O-CG 3.32Å; A81-Q85 WeakPolarHBondContact O-CG 3.41Å; A81-Q85 PolarHBondContact O-N 3.29Å; F82-Q85 WeakPolarHBondContact O-CB 3.44Å; F82-Q85 PolarHBondContact O-N 2.96Å; F82-Q85 VanDerWaalsContact O-N 3.14Å; L83-Q85 PolarHBondContact O-N 3.21Å |
| 86 | L | 97.8 | Very high | 96.8 | Very high | 30 Ų | 30 | 67 Ų | 67 | 16% | 0.157 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -65.9 | 139.3 | -179.3 | -66.7 | 178.9 | 0 | 0 | 0 | 110.8 | Y7 F82 L83 V116 R146 | Y7-L86 HydrophobicContact CE1-CD1 4.39Å; Y7-L86 HydrophobicContact CE1-CD2 4.5Å; Y7-L86 HydrophobicContact CE2-CD1 4.08Å; F82-L86 HydrophobicContact CE1-CD1 4.43Å; F82-L86 HydrophobicContact CE1-CD2 4.46Å; F82-L86 HydrophobicContact CE2-CD2 4.18Å; F82-L86 HydrophobicContact CZ-CD2 3.87Å; F82-L86 HydrophobicContact CZ-CG 4.47Å; L83-L86 HydrophobicContact CD2-CD1 3.69Å; L83-L86 WeakPolarHBondContact O-CB 3.1Å; L83-L86 PolarHBondContact O-N 2.8Å; L83-L86 VanDerWaalsContact O-N 3.15Å; L86-V116 HydrophobicContact CB-CB 4.44Å; L86-V116 HydrophobicContact CB-CG1 3.81Å; L86-V116 HydrophobicContact CD1-CB 4.25Å; L86-V116 HydrophobicContact CD1-CG1 4.43Å; L86-R146 PolarHBondContact O-NH2 3.27Å |
| 87 | P | 97.6 | Very high | 97 | Very high | 95 Ų | 95 | 67.1 Ų | 67.1 | 62% | 0.617 | 36% | 0.356 | S | S | * | . | P | Polyproline II helix | trans | -65.6 | 149.4 | 176.9 | 28.8 | -35 | 0 | 0 | 0 | 110.9 | ||
| 88 | A | 97.6 | Very high | 97.2 | Very high | 49 Ų | 49 | 60.5 Ų | 60.5 | 41% | 0.405 | 33% | 0.326 | S | S | . | . | P | Polyproline II helix | trans | -63.5 | 135.3 | 167.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 89 | L | 98 | Very high | 97.2 | Very high | 58 Ų | 58 | 61.6 Ų | 61.6 | 30% | 0.304 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -98.5 | 151.4 | 174.2 | -56.8 | 174.6 | 0 | 0 | 0 | 109.9 | G91 G114 G115 S117 S124 | L89-G91 VanDerWaalsContact C-N 3.28Å; L89-G91 PolarHBondContact O-N 2.94Å; L89-G114 PolarHBondContact O-N 3.34Å; L89-G115 PolarHBondContact N-O 3Å; L89-S117 WeakPolarHBondContact CD1-O 3.32Å; L89-S124 WeakPolarHBondContact O-CB 3.3Å; L89-S124 PolarHBondContact O-OG 3.41Å |
| 90 | K | 95.7 | Very high | 97.2 | Very high | 102 Ų | 102 | 62.6 Ų | 62.6 | 44% | 0.443 | 34% | 0.341 | S | S | . | . | S | Bend | trans | 58.8 | 31.5 | 179 | -58.6 | -170.7 | 171.7 | -171.2 | 0 | 115 | R112 S113 S123 | K90-R112 VanDerWaalsContact NZ-CZ 3.32Å; K90-S113 WeakPolarHBondContact O-CB 3.32Å; K90-S123 PolarHBondContact NZ-O 2.77Å |
| 91 | G | 96.4 | Very high | 97.3 | Very high | 46 Ų | 46 | 60.4 Ų | 60.4 | 47% | 0.474 | 33% | 0.325 | S | S | . | . | S | Bend | trans | 84.4 | -157.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L89 G114 | L89-G91 VanDerWaalsContact C-N 3.28Å; L89-G91 PolarHBondContact O-N 2.94Å; G91-G114 WeakPolarHBondContact O-CA 3.36Å; G91-G114 PolarHBondContact O-N 3.05Å |
| 92 | D | 97.7 | Very high | 97.3 | Very high | 135 Ų | 135 | 60.4 Ų | 60.4 | 72% | 0.722 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -79.5 | 159.6 | -177.4 | -62.3 | -44 | 0 | 0 | 0 | 112.8 | R94 S113 | D92-R94 PolarHBondContact O-N 2.87Å; D92-S113 VanDerWaalsContact O-CB 3.26Å; D92-S113 WeakPolarHBondContact O-CB 3.22Å; D92-S113 PolarHBondContact O-OG 3.32Å |
| 93 | I | 98.4 | Very high | 97.1 | Very high | 21 Ų | 21 | 65.3 Ų | 65.3 | 11% | 0.108 | 35% | 0.349 | C | S | . | . | trans | -62.9 | 131.2 | 170.5 | -63.9 | -177.1 | 0 | 0 | 0 | 108.7 | L125 R146 L147 H150 | I93-L125 HydrophobicContact CD1-CD1 3.85Å; I93-L125 HydrophobicContact CD1-CD2 4.24Å; I93-L125 HydrophobicContact CG1-CD1 4.25Å; I93-L125 HydrophobicContact CG1-CD2 4.22Å; I93-L125 HydrophobicContact CG2-CD2 4.09Å; I93-R146 VanDerWaalsContact CD1-C 3.45Å; I93-R146 HydrophobicContact CD1-CB 3.5Å; I93-R146 WeakPolarHBondContact CD1-O 3.12Å; I93-L147 HydrophobicContact CG2-CD1 4.33Å; I93-H150 HydrophobicContact CB-CB 4.15Å; I93-H150 HydrophobicContact CD1-CB 4.2Å; I93-H150 HydrophobicContact CG2-CB 3.94Å; I93-H150 VanDerWaalsContact CG2-CD2 3.48Å; I93-H150 WeakPolarHBondContact CG2-CD2 3.11Å; I93-H150 VanDerWaalsContact CG2-CG 3.49Å; I93-H150 PolarHBondContact O-CE1 3.01Å; I93-H150 PolarHBondContact O-ND1 3.29Å | ||
| 94 | R | 98 | Very high | 97 | Very high | 114 Ų | 114 | 67.3 Ų | 67.3 | 43% | 0.43 | 36% | 0.362 | S | S | . | . | trans | -123.4 | 142.6 | 172.2 | -65.7 | 179.9 | -68.5 | 150.1 | 5.4 | 110.5 | D92 T111 S113 D327 | D92-R94 PolarHBondContact O-N 2.87Å; R94-T111 HydrophobicContact CB-CG2 4.07Å; R94-T111 WeakPolarHBondContact CB-OG1 3.48Å; R94-T111 PolarHBondContact O-N 3.47Å; R94-T111 PolarHBondContact O-OG1 3.08Å; R94-S113 PolarHBondContact NE-OG 3.37Å; R94-D327 IonicContact CZ-OD1 3.31Å; R94-D327 IonicContact NH1-OD1 2.94Å; R94-D327 PolarHBondContact NH1-OD1 2.95Å; R94-D327 IonicContact NH2-OD1 2.86Å; R94-D327 PolarHBondContact NH2-OD1 3.29Å | ||
| 95 | T | 97.6 | Very high | 97 | Very high | 36 Ų | 36 | 63.2 Ų | 63.2 | 22% | 0.221 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 140.8 | 175.8 | 54.7 | 0 | 0 | 0 | 0 | 110.2 | F109 L147 H150 F344 | T95-F109 CarbonylContact C-O 3.54Å; T95-F109 VanDerWaalsContact CA-O 3.22Å; T95-F109 WeakPolarHBondContact CA-O 3.33Å; T95-L147 HydrophobicContact CG2-CD1 4.05Å; T95-H150 PolarHBondContact OG1-NE2 2.69Å; T95-F344 HydrophobicContact CG2-CE1 4.07Å; T95-F344 HydrophobicContact CG2-CZ 3.91Å |
| 96 | L | 97.6 | Very high | 97 | Very high | 46 Ų | 46 | 55.8 Ų | 55.8 | 24% | 0.241 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 144.7 | 168.4 | -53.3 | -175.6 | 0 | 0 | 0 | 109.3 | G108 F109 P251 P319 F328 | L96-G108 CarbonylContact O-C 3.58Å; L96-G108 VanDerWaalsContact O-CA 3.24Å; L96-G108 WeakPolarHBondContact O-CA 3.34Å; L96-F109 HydrophobicContact CB-CB 4.33Å; L96-F109 HydrophobicContact CB-CD2 4.5Å; L96-F109 PolarHBondContact N-O 3.12Å; L96-F109 PolarHBondContact O-N 3.27Å; L96-P251 HydrophobicContact CD1-CG 3.77Å; L96-P319 HydrophobicContact CD1-CG 3.92Å; L96-F328 HydrophobicContact CD1-CZ 4.06Å |
| 97 | R | 96.5 | Very high | 97.1 | Very high | 114 Ų | 114 | 54.6 Ų | 54.6 | 43% | 0.43 | 30% | 0.302 | S | S | . | . | trans | -130.1 | 135 | 179.3 | -52.7 | -169 | 93.5 | -151.3 | 5.5 | 110.5 | H107 V317 | R97-H107 PolarHBondContact NE-O 3.38Å; R97-H107 PolarHBondContact NH2-O 3.33Å; R97-V317 WeakPolarHBondContact O-CG1 3.39Å | ||
| 98 | S | 96.8 | Very high | 97.1 | Very high | 6 Ų | 6 | 50 Ų | 50 | 4% | 0.042 | 27% | 0.273 | C | S | . | . | trans | -73.5 | 138.7 | 170.5 | 172.5 | 0 | 0 | 0 | 0 | 111 | L100 H107 A248 H307 | S98-L100 VanDerWaalsContact C-N 3.26Å; S98-L100 PolarHBondContact OG-N 3.2Å; S98-H107 PolarHBondContact N-NE2 2.91Å; S98-H107 VanDerWaalsContact N-NE2 3.17Å; S98-H107 PolarHBondContact O-CE1 3.33Å; S98-H107 PolarHBondContact O-NE2 2.9Å; S98-A248 VanDerWaalsContact CB-CB 3.46Å; S98-H307 WeakPolarHBondContact CA-ND1 3.44Å; S98-H307 WeakPolarHBondContact CB-ND1 3.43Å; S98-H307 PolarHBondContact OG-ND1 3.22Å | ||
| 99 | T | 96.1 | Very high | 97.1 | Very high | 77 Ų | 77 | 47.8 Ų | 47.8 | 47% | 0.472 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -78.8 | -6.3 | 171 | 58.1 | 0 | 0 | 0 | 0 | 113.5 | H307 R314 | T99-H307 PolarHBondContact N-ND1 3.45Å; T99-R314 WeakPolarHBondContact OG1-CD 3.29Å; T99-R314 PolarHBondContact OG1-NH1 3.33Å |
| 100 | L | 96.7 | Very high | 97.2 | Very high | 22 Ų | 22 | 45 Ų | 45 | 12% | 0.115 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -91.3 | -27.8 | 179.2 | -71.4 | -171.3 | 0 | 0 | 0 | 113.5 | S98 P102 V246 E304 H305 H307 R314 | S98-L100 VanDerWaalsContact C-N 3.26Å; S98-L100 PolarHBondContact OG-N 3.2Å; L100-P102 WeakPolarHBondContact O-CD 3.49Å; L100-V246 HydrophobicContact CB-CB 4.41Å; L100-E304 WeakPolarHBondContact CD1-O 3.48Å; L100-H305 VanDerWaalsContact CD1-C 3.42Å; L100-H305 WeakPolarHBondContact CD1-O 3.29Å; L100-H307 HydrophobicContact CB-CB 4.37Å; L100-H307 HydrophobicContact CD1-CB 3.63Å; L100-H307 HydrophobicContact CG-CB 3.92Å; L100-R314 VanDerWaalsContact CD2-NH2 3.29Å |
| 101 | I | 97.4 | Very high | 97.3 | Very high | 6 Ų | 6 | 40.3 Ų | 40.3 | 3% | 0.031 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -77 | 116.5 | -179.7 | -66.3 | 176 | 0 | 0 | 0 | 108.1 | F105 H107 L203 V246 A248 L345 | I101-F105 HydrophobicContact CG2-CB 3.87Å; I101-F105 HydrophobicContact CG2-CD2 4.19Å; I101-F105 HydrophobicContact CG2-CG 4.44Å; I101-H107 HydrophobicContact CD1-CB 4.17Å; I101-H107 HydrophobicContact CG2-CB 4.27Å; I101-L203 HydrophobicContact CD1-CB 3.97Å; I101-L203 HydrophobicContact CD1-CD1 4.28Å; I101-V246 HydrophobicContact CG1-CG2 4.37Å; I101-A248 HydrophobicContact CD1-CB 3.69Å; I101-A248 HydrophobicContact CG1-CB 4.25Å; I101-L345 HydrophobicContact CD1-CD1 4.5Å; I101-L345 HydrophobicContact CG2-CD1 4.03Å |
| 102 | P | 96.1 | Very high | 97.4 | Very high | 47 Ų | 47 | 38.6 Ų | 38.6 | 31% | 0.305 | 20% | 0.198 | S | C | . | . | trans | -70.2 | 156.6 | -173.8 | -24.4 | 38.5 | 0 | 0 | 0 | 113.5 | L100 C104 F105 P207 | L100-P102 WeakPolarHBondContact O-CD 3.49Å; P102-C104 PolarHBondContact O-N 3.33Å; P102-F105 PolarHBondContact O-N 3.36Å; P102-P207 HydrophobicContact CG-CB 3.97Å; P102-P207 HydrophobicContact CG-CG 4.41Å | ||
| 103 | D | 94.8 | Very high | 97.4 | Very high | 123 Ų | 123 | 32.2 Ų | 32.2 | 66% | 0.658 | 16% | 0.164 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -13.7 | -173.6 | -76.2 | -39.6 | 0 | 0 | 0 | 115.7 | F105 K348 | D103-F105 CarbonylContact C-O 3.6Å; D103-F105 PolarHBondContact O-N 3.31Å; D103-K348 VanDerWaalsContact O-CD 3.3Å; D103-K348 WeakPolarHBondContact O-CD 3.35Å; D103-K348 WeakPolarHBondContact O-CE 3.39Å; D103-K348 PolarHBondContact O-NZ 2.78Å |
| 104 | C | 95.2 | Very high | 97.4 | Very high | 45 Ų | 45 | 31.4 Ų | 31.4 | 30% | 0.304 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -10 | 168.4 | 59.9 | 0 | 0 | 0 | 0 | 113 | P102 K210 K348 | P102-C104 PolarHBondContact O-N 3.33Å; C104-K210 PolarHBondContact SG-NZ 2.97Å; C104-K348 WeakPolarHBondContact O-CB 3.42Å; C104-K348 PolarHBondContact O-N 2.95Å |
| 105 | F | 98 | Very high | 97.4 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 150.3 | 169.7 | -51.1 | -72.1 | 0 | 0 | 0 | 110.2 | I101 P102 D103 A205 P207 K210 I212 L345 W346 I347 K348 | I101-F105 HydrophobicContact CG2-CB 3.87Å; I101-F105 HydrophobicContact CG2-CD2 4.19Å; I101-F105 HydrophobicContact CG2-CG 4.44Å; P102-F105 PolarHBondContact O-N 3.36Å; D103-F105 CarbonylContact C-O 3.6Å; D103-F105 PolarHBondContact O-N 3.31Å; F105-A205 HydrophobicContact CD2-CB 3.97Å; F105-A205 HydrophobicContact CE2-CB 3.81Å; F105-A205 HydrophobicContact CZ-CB 4.22Å; F105-P207 HydrophobicContact CE2-CB 4.13Å; F105-K210 HydrophobicContact CE1-CD 4.49Å; F105-K210 HydrophobicContact CZ-CD 4.15Å; F105-I212 HydrophobicContact CD1-CG2 3.48Å; F105-I212 VanDerWaalsContact CD1-CG2 3.48Å; F105-I212 HydrophobicContact CE1-CG2 3.52Å; F105-I212 HydrophobicContact CG-CG2 4.34Å; F105-I212 HydrophobicContact CZ-CG2 4.39Å; F105-L345 HydrophobicContact CB-CD1 3.81Å; F105-L345 HydrophobicContact CG-CD1 4.43Å; F105-W346 CarbonylContact C-O 3.48Å; F105-W346 VanDerWaalsContact CA-O 3.24Å; F105-W346 WeakPolarHBondContact CA-O 3.46Å; F105-W346 WeakPolarHBondContact CB-O 3.49Å; F105-I347 HydrophobicContact CD1-CB 4.41Å; F105-I347 HydrophobicContact CD1-CG1 4.07Å; F105-I347 HydrophobicContact CE1-CG1 4.02Å; F105-I347 HydrophobicContact CE1-CG2 4.47Å; F105-K348 WeakPolarHBondContact O-CE 3.24Å; F105-K348 PolarHBondContact O-NZ 3.47Å |
| 106 | G | 97.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 134.8 | 163.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | L345 W346 | G106-L345 CarbonylContact O-C 3.51Å; G106-L345 VanDerWaalsContact O-CA 3.29Å; G106-L345 WeakPolarHBondContact O-CA 3.17Å; G106-L345 WeakPolarHBondContact O-CD1 3.24Å; G106-W346 PolarHBondContact N-O 2.87Å; G106-W346 WeakPolarHBondContact O-CZ3 3.47Å; G106-W346 PolarHBondContact O-N 3.26Å |
| 107 | H | 98.4 | Very high | 97.5 | Very high | 4 Ų | 4 | 22.1 Ų | 22.1 | 2% | 0.019 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 168 | 177.9 | 68 | -64.7 | 0 | 0 | 0 | 112.9 | R97 S98 I101 L203 F344 L345 | R97-H107 PolarHBondContact NE-O 3.38Å; R97-H107 PolarHBondContact NH2-O 3.33Å; S98-H107 PolarHBondContact N-NE2 2.91Å; S98-H107 VanDerWaalsContact N-NE2 3.17Å; S98-H107 PolarHBondContact O-CE1 3.33Å; S98-H107 PolarHBondContact O-NE2 2.9Å; I101-H107 HydrophobicContact CD1-CB 4.17Å; I101-H107 HydrophobicContact CG2-CB 4.27Å; H107-L203 HydrophobicContact CB-CD1 4.15Å; H107-F344 CarbonylContact C-O 3.33Å; H107-F344 WeakPolarHBondContact CA-O 3.29Å; H107-F344 WeakPolarHBondContact CB-O 3.4Å; H107-L345 HydrophobicContact CB-CD1 3.73Å |
| 108 | G | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 179.2 | 172.2 | 164.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L96 G343 F344 | L96-G108 CarbonylContact O-C 3.58Å; L96-G108 VanDerWaalsContact O-CA 3.24Å; L96-G108 WeakPolarHBondContact O-CA 3.34Å; G108-G343 CarbonylContact O-C 3.57Å; G108-G343 WeakPolarHBondContact O-CA 3.27Å; G108-F344 VanDerWaalsContact C-CE1 3.48Å; G108-F344 PolarHBondContact N-O 3.28Å; G108-F344 WeakPolarHBondContact O-CD1 3.46Å; G108-F344 WeakPolarHBondContact O-CE1 3.43Å; G108-F344 PolarHBondContact O-N 2.92Å |
| 109 | F | 98.6 | Very high | 97.3 | Very high | 1 Ų | 1 | 18.5 Ų | 18.5 | 0% | 0.004 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 119.4 | 167.8 | -57.3 | -78.8 | 0 | 0 | 0 | 108.5 | T95 L96 P201 L203 A248 G250 P251 V342 | T95-F109 CarbonylContact C-O 3.54Å; T95-F109 VanDerWaalsContact CA-O 3.22Å; T95-F109 WeakPolarHBondContact CA-O 3.33Å; L96-F109 HydrophobicContact CB-CB 4.33Å; L96-F109 HydrophobicContact CB-CD2 4.5Å; L96-F109 PolarHBondContact N-O 3.12Å; L96-F109 PolarHBondContact O-N 3.27Å; F109-P201 HydrophobicContact CD1-CB 4.35Å; F109-P201 HydrophobicContact CD1-CG 3.99Å; F109-P201 HydrophobicContact CE1-CB 4.29Å; F109-P201 HydrophobicContact CE1-CG 4.19Å; F109-P201 WeakPolarHBondContact CE1-O 3.19Å; F109-L203 HydrophobicContact CD1-CD1 4.46Å; F109-L203 HydrophobicContact CE1-CD1 3.74Å; F109-L203 HydrophobicContact CE1-CG 3.74Å; F109-L203 HydrophobicContact CE2-CD1 4.26Å; F109-L203 HydrophobicContact CZ-CB 4.44Å; F109-L203 HydrophobicContact CZ-CD1 3.62Å; F109-L203 HydrophobicContact CZ-CG 3.78Å; F109-A248 HydrophobicContact CE2-CB 4.16Å; F109-A248 HydrophobicContact CZ-CB 4.04Å; F109-G250 VanDerWaalsContact CD1-CA 3.4Å; F109-P251 HydrophobicContact CB-CG 4.29Å; F109-V342 WeakPolarHBondContact CA-O 3.36Å |
| 110 | S | 98.4 | Very high | 97.2 | Very high | 1 Ų | 1 | 19.8 Ų | 19.8 | 1% | 0.007 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 143.8 | -178.5 | 66.6 | 0 | 0 | 0 | 0 | 111.5 | L127 Q341 V342 | S110-L127 VanDerWaalsContact OG-CD1 3.31Å; S110-L127 WeakPolarHBondContact OG-CD1 3.47Å; S110-Q341 VanDerWaalsContact O-CB 3.28Å; S110-Q341 WeakPolarHBondContact O-CB 3.32Å; S110-Q341 WeakPolarHBondContact OG-CB 3.42Å; S110-V342 PolarHBondContact N-O 3.48Å; S110-V342 PolarHBondContact OG-N 3Å; S110-V342 PolarHBondContact OG-O 2.93Å |
| 111 | T | 98.2 | Very high | 97.1 | Very high | 3 Ų | 3 | 20.6 Ų | 20.6 | 2% | 0.018 | 12% | 0.121 | C | C | . | . | trans | -90.1 | -178.2 | 162.1 | 64.4 | 0 | 0 | 0 | 0 | 110.2 | R94 S113 D327 F328 | R94-T111 HydrophobicContact CB-CG2 4.07Å; R94-T111 WeakPolarHBondContact CB-OG1 3.48Å; R94-T111 PolarHBondContact O-N 3.47Å; R94-T111 PolarHBondContact O-OG1 3.08Å; T111-S113 PolarHBondContact OG1-OG 2.77Å; T111-D327 CarbonylContact C-O 3.5Å; T111-D327 WeakPolarHBondContact CA-O 3.19Å; T111-D327 VanDerWaalsContact CB-O 3.25Å; T111-D327 WeakPolarHBondContact CB-O 3.25Å; T111-F328 HydrophobicContact CG2-CE1 3.82Å; T111-F328 HydrophobicContact CG2-CZ 4.1Å | ||
| 112 | R | 98.1 | Very high | 97 | Very high | 10 Ų | 10 | 20.3 Ų | 20.3 | 4% | 0.038 | 12% | 0.12 | C | C | . | . | S | Bend | trans | -86.3 | -3.2 | -179.9 | 77.5 | -176.8 | -62.6 | 173 | 2.1 | 115 | K90 P120 S123 S124 L125 P325 D326 D327 F328 F329 | K90-R112 VanDerWaalsContact NZ-CZ 3.32Å; R112-P120 PolarHBondContact NH2-O 3.37Å; R112-P120 VanDerWaalsContact NH2-O 3.09Å; R112-S123 PolarHBondContact NE-O 3Å; R112-S123 PolarHBondContact NH2-O 2.78Å; R112-S124 WeakPolarHBondContact O-CA 3.15Å; R112-S124 WeakPolarHBondContact O-CB 3.28Å; R112-S124 PolarHBondContact O-N 2.89Å; R112-S124 PolarHBondContact O-OG 3.16Å; R112-L125 PolarHBondContact O-N 3.02Å; R112-P325 WeakPolarHBondContact CD-O 3.25Å; R112-P325 PolarHBondContact NH1-O 3.38Å; R112-D326 WeakPolarHBondContact CD-O 3.45Å; R112-D326 WeakPolarHBondContact CG-O 3.47Å; R112-D327 WeakPolarHBondContact CG-O 3.41Å; R112-D327 PolarHBondContact N-O 3.36Å; R112-F328 PolarHBondContact NH1-O 3.3Å; R112-F329 HydrophobicContact CB-CD1 4.33Å; R112-F329 HydrophobicContact CB-CD2 3.92Å; R112-F329 HydrophobicContact CB-CE1 4.01Å; R112-F329 HydrophobicContact CB-CE2 3.56Å; R112-F329 HydrophobicContact CB-CG 4.3Å; R112-F329 HydrophobicContact CB-CZ 3.62Å |
| 113 | S | 98.3 | Very high | 97 | Very high | 1 Ų | 1 | 18.6 Ų | 18.6 | 1% | 0.007 | 11% | 0.109 | C | C | . | . | trans | -87 | 154.8 | -175.9 | 57.3 | 0 | 0 | 0 | 0 | 113.5 | K90 D92 R94 T111 S124 L125 | K90-S113 WeakPolarHBondContact O-CB 3.32Å; D92-S113 VanDerWaalsContact O-CB 3.26Å; D92-S113 WeakPolarHBondContact O-CB 3.22Å; D92-S113 PolarHBondContact O-OG 3.32Å; R94-S113 PolarHBondContact NE-OG 3.37Å; T111-S113 PolarHBondContact OG1-OG 2.77Å; S113-S124 VanDerWaalsContact C-OG 3.24Å; S113-S124 VanDerWaalsContact CA-OG 3.27Å; S113-S124 WeakPolarHBondContact CA-OG 3.41Å; S113-L125 WeakPolarHBondContact O-CB 3.5Å | ||
| 114 | G | 98.3 | Very high | 97.2 | Very high | 3 Ų | 3 | 12.8 Ų | 12.8 | 3% | 0.031 | 8% | 0.077 | C | C | . | . | S | Bend | trans | 90.5 | 4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 117 | L89 G91 S124 | L89-G114 PolarHBondContact O-N 3.34Å; G91-G114 WeakPolarHBondContact O-CA 3.36Å; G91-G114 PolarHBondContact O-N 3.05Å; G114-S124 PolarHBondContact N-OG 2.96Å |
| 115 | G | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 6% | 0.063 | C | C | . | . | trans | -95.6 | -169.6 | 178 | 0 | 0 | 0 | 0 | 0 | 114.6 | L89 S124 N143 | L89-G115 PolarHBondContact N-O 3Å; G115-S124 CarbonylContact C-O 3.41Å; G115-S124 VanDerWaalsContact CA-O 3.28Å; G115-S124 WeakPolarHBondContact CA-O 3.42Å; G115-S124 PolarHBondContact N-OG 3.22Å; G115-S124 VanDerWaalsContact N-OG 3.13Å; G115-N143 WeakPolarHBondContact CA-OD1 3.31Å | ||
| 116 | V | 98.5 | Very high | 97.4 | Very high | 2 Ų | 2 | 10.6 Ų | 10.6 | 1% | 0.012 | 6% | 0.063 | C | C | . | . | trans | -117.2 | -3.5 | -176.1 | -67.5 | 0 | 0 | 0 | 0 | 114.4 | L86 Y118 S124 V139 E142 N143 R146 | L86-V116 HydrophobicContact CB-CB 4.44Å; L86-V116 HydrophobicContact CB-CG1 3.81Å; L86-V116 HydrophobicContact CD1-CB 4.25Å; L86-V116 HydrophobicContact CD1-CG1 4.43Å; V116-Y118 PolarHBondContact O-N 3.15Å; V116-S124 PolarHBondContact N-O 2.84Å; V116-V139 HydrophobicContact CG2-CG1 3.9Å; V116-E142 HydrophobicContact CG1-CG 4.3Å; V116-E142 HydrophobicContact CG2-CB 4.19Å; V116-E142 HydrophobicContact CG2-CG 3.82Å; V116-N143 VanDerWaalsContact CG2-OD1 3.29Å; V116-N143 WeakPolarHBondContact CG2-OD1 3.48Å; V116-N143 PolarHBondContact N-OD1 3.21Å; V116-R146 VanDerWaalsContact CG1-NH1 3.34Å | ||
| 117 | S | 98.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 6% | 0.063 | C | C | . | . | trans | -68.2 | 124.8 | 177.2 | -54.6 | 0 | 0 | 0 | 0 | 109.8 | L89 L122 S123 S124 D135 N143 | L89-S117 WeakPolarHBondContact CD1-O 3.32Å; S117-L122 VanDerWaalsContact CB-O 3.31Å; S117-L122 WeakPolarHBondContact CB-O 3.25Å; S117-S123 WeakPolarHBondContact O-CA 3.38Å; S117-S123 VanDerWaalsContact O-CB 3.23Å; S117-S123 WeakPolarHBondContact O-CB 3.43Å; S117-S123 PolarHBondContact O-OG 2.89Å; S117-S124 VanDerWaalsContact CB-O 3.24Å; S117-S124 WeakPolarHBondContact CB-O 3.36Å; S117-S124 PolarHBondContact N-O 3.43Å; S117-S124 PolarHBondContact OG-O 3.39Å; S117-D135 WeakPolarHBondContact CB-OD2 3.36Å; S117-D135 PolarHBondContact OG-OD2 2.86Å; S117-N143 PolarHBondContact OG-ND2 2.84Å | ||
| 118 | Y | 96.6 | Very high | 97.2 | Very high | 29 Ų | 29 | 13.1 Ų | 13.1 | 11% | 0.114 | 7% | 0.074 | C | C | . | . | trans | -99.8 | -21.5 | -172.6 | 62.5 | -95.5 | 0 | 0 | 0 | 114 | Y7 K10 R11 D14 V116 | Y7-Y118 HydrophobicContact CE2-CD1 4.04Å; Y7-Y118 AromaticContact CE2-CE1 3.82Å; Y7-Y118 HydrophobicContact CE2-CE1 3.82Å; Y7-Y118 AromaticContact CZ-CD1 3.78Å; Y7-Y118 AromaticContact CZ-CE1 3.89Å; Y7-Y118 VanDerWaalsContact OH-CD1 3.26Å; Y7-Y118 WeakPolarHBondContact OH-CD1 3.24Å; K10-Y118 WeakPolarHBondContact CG-OH 3.1Å; K10-Y118 PolarHBondContact NZ-OH 3.14Å; R11-Y118 WeakPolarHBondContact CA-OH 3.2Å; R11-Y118 HydrophobicContact CB-CE2 4.34Å; R11-Y118 HydrophobicContact CG-CD1 4.06Å; R11-Y118 HydrophobicContact CG-CD2 4.11Å; R11-Y118 HydrophobicContact CG-CE1 3.57Å; R11-Y118 HydrophobicContact CG-CE2 3.66Å; R11-Y118 HydrophobicContact CG-CG 4.29Å; R11-Y118 WeakPolarHBondContact CG-OH 3.36Å; R11-Y118 PolarHBondContact N-OH 3.44Å; D14-Y118 HydrophobicContact CB-CE2 4.23Å; D14-Y118 PolarHBondContact OD2-OH 2.84Å; V116-Y118 PolarHBondContact O-N 3.15Å | ||
| 119 | I | 94.2 | Very high | 97 | Very high | 14 Ų | 14 | 14.5 Ų | 14.5 | 7% | 0.072 | 8% | 0.083 | C | C | . | . | S | Bend | trans | -63.8 | 128.1 | -178.6 | -62 | 177.6 | 0 | 0 | 0 | 108.2 | T121 L122 S123 R134 | I119-T121 VanDerWaalsContact C-N 3.3Å; I119-T121 PolarHBondContact O-N 3.2Å; I119-T121 VanDerWaalsContact O-N 3.09Å; I119-L122 HydrophobicContact CB-CB 4.13Å; I119-L122 HydrophobicContact CB-CD1 3.99Å; I119-L122 HydrophobicContact CB-CG 3.99Å; I119-L122 HydrophobicContact CD1-CD1 3.89Å; I119-L122 HydrophobicContact CG1-CD1 4.47Å; I119-L122 HydrophobicContact CG2-CD1 4.15Å; I119-L122 HydrophobicContact CG2-CG 4Å; I119-L122 CarbonylContact O-C 3.56Å; I119-L122 WeakPolarHBondContact O-CA 3.15Å; I119-L122 PolarHBondContact O-N 3.17Å; I119-S123 WeakPolarHBondContact O-CB 3.24Å; I119-S123 PolarHBondContact O-N 3.31Å; I119-R134 HydrophobicContact CD1-CB 3.25Å; I119-R134 HydrophobicContact CD1-CG 4.28Å |
| 120 | P | 92.9 | Very high | 96.6 | Very high | 105 Ų | 105 | 16.2 Ų | 16.2 | 68% | 0.682 | 10% | 0.095 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -50.9 | -43.3 | -167.7 | -31.9 | 35.8 | 0 | 0 | 0 | 115.3 | R112 L122 S123 | R112-P120 PolarHBondContact NH2-O 3.37Å; R112-P120 VanDerWaalsContact NH2-O 3.09Å; P120-L122 VanDerWaalsContact C-N 3.31Å; P120-L122 PolarHBondContact O-N 2.98Å; P120-S123 PolarHBondContact O-N 3.37Å |
| 121 | T | 93.8 | Very high | 96.2 | Very high | 39 Ų | 39 | 19.8 Ų | 19.8 | 24% | 0.239 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -16.4 | 179.4 | 56.6 | 0 | 0 | 0 | 0 | 113.9 | I119 F329 D334 N337 G339 | I119-T121 VanDerWaalsContact C-N 3.3Å; I119-T121 PolarHBondContact O-N 3.2Å; I119-T121 VanDerWaalsContact O-N 3.09Å; T121-F329 WeakPolarHBondContact O-CD1 3.49Å; T121-D334 HydrophobicContact CG2-CB 4.25Å; T121-N337 WeakPolarHBondContact CB-O 3.46Å; T121-N337 PolarHBondContact OG1-ND2 2.69Å; T121-N337 PolarHBondContact OG1-O 2.8Å; T121-G339 PolarHBondContact O-N 2.94Å |
| 122 | L | 96 | Very high | 95.7 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | -9.5 | 176.6 | -45.6 | -177.7 | 0 | 0 | 0 | 111.9 | S117 I119 P120 N126 R134 D135 F329 F338 | S117-L122 VanDerWaalsContact CB-O 3.31Å; S117-L122 WeakPolarHBondContact CB-O 3.25Å; I119-L122 HydrophobicContact CB-CB 4.13Å; I119-L122 HydrophobicContact CB-CD1 3.99Å; I119-L122 HydrophobicContact CB-CG 3.99Å; I119-L122 HydrophobicContact CD1-CD1 3.89Å; I119-L122 HydrophobicContact CG1-CD1 4.47Å; I119-L122 HydrophobicContact CG2-CD1 4.15Å; I119-L122 HydrophobicContact CG2-CG 4Å; I119-L122 CarbonylContact O-C 3.56Å; I119-L122 WeakPolarHBondContact O-CA 3.15Å; I119-L122 PolarHBondContact O-N 3.17Å; P120-L122 VanDerWaalsContact C-N 3.31Å; P120-L122 PolarHBondContact O-N 2.98Å; L122-N126 HydrophobicContact CB-CB 4.48Å; L122-N126 WeakPolarHBondContact O-CB 3.44Å; L122-R134 HydrophobicContact CD1-CB 4.46Å; L122-D135 HydrophobicContact CD1-CB 3.64Å; L122-F329 WeakPolarHBondContact O-CE1 3.3Å; L122-F329 WeakPolarHBondContact O-CZ 3.45Å; L122-F338 WeakPolarHBondContact CD2-O 3.35Å |
| 123 | S | 97.1 | Very high | 95.3 | Very high | 11 Ų | 11 | 31 Ų | 31 | 8% | 0.077 | 16% | 0.163 | C | C | . | . | trans | -77.8 | 127.2 | -173.4 | -173.8 | 0 | 0 | 0 | 0 | 111.7 | K90 R112 S117 I119 P120 F329 | K90-S123 PolarHBondContact NZ-O 2.77Å; R112-S123 PolarHBondContact NE-O 3Å; R112-S123 PolarHBondContact NH2-O 2.78Å; S117-S123 WeakPolarHBondContact O-CA 3.38Å; S117-S123 VanDerWaalsContact O-CB 3.23Å; S117-S123 WeakPolarHBondContact O-CB 3.43Å; S117-S123 PolarHBondContact O-OG 2.89Å; I119-S123 WeakPolarHBondContact O-CB 3.24Å; I119-S123 PolarHBondContact O-N 3.31Å; P120-S123 PolarHBondContact O-N 3.37Å; S123-F329 VanDerWaalsContact O-CE1 3.25Å; S123-F329 WeakPolarHBondContact O-CE1 3.36Å | ||
| 124 | S | 97.9 | Very high | 95 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.17 | C | C | . | . | S | Bend | cis | -121.1 | -42.1 | 12.6 | 67.1 | 0 | 0 | 0 | 0 | 114.8 | L89 R112 S113 G114 G115 V116 S117 N126 N143 | L89-S124 WeakPolarHBondContact O-CB 3.3Å; L89-S124 PolarHBondContact O-OG 3.41Å; R112-S124 WeakPolarHBondContact O-CA 3.15Å; R112-S124 WeakPolarHBondContact O-CB 3.28Å; R112-S124 PolarHBondContact O-N 2.89Å; R112-S124 PolarHBondContact O-OG 3.16Å; S113-S124 VanDerWaalsContact C-OG 3.24Å; S113-S124 VanDerWaalsContact CA-OG 3.27Å; S113-S124 WeakPolarHBondContact CA-OG 3.41Å; G114-S124 PolarHBondContact N-OG 2.96Å; G115-S124 CarbonylContact C-O 3.41Å; G115-S124 VanDerWaalsContact CA-O 3.28Å; G115-S124 WeakPolarHBondContact CA-O 3.42Å; G115-S124 PolarHBondContact N-OG 3.22Å; G115-S124 VanDerWaalsContact N-OG 3.13Å; V116-S124 PolarHBondContact N-O 2.84Å; S117-S124 VanDerWaalsContact CB-O 3.24Å; S117-S124 WeakPolarHBondContact CB-O 3.36Å; S117-S124 PolarHBondContact N-O 3.43Å; S117-S124 PolarHBondContact OG-O 3.39Å; S124-N126 PolarHBondContact O-N 3.43Å; S124-N143 PolarHBondContact O-ND2 3.41Å |
| 125 | L | 98.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.169 | C | C | . | . | trans | -96.4 | 61.4 | -174.9 | -165.9 | 76.3 | 0 | 0 | 0 | 110.6 | I93 R112 S113 L127 N143 | I93-L125 HydrophobicContact CD1-CD1 3.85Å; I93-L125 HydrophobicContact CD1-CD2 4.24Å; I93-L125 HydrophobicContact CG1-CD1 4.25Å; I93-L125 HydrophobicContact CG1-CD2 4.22Å; I93-L125 HydrophobicContact CG2-CD2 4.09Å; R112-L125 PolarHBondContact O-N 3.02Å; S113-L125 WeakPolarHBondContact O-CB 3.5Å; L125-L127 HydrophobicContact CG-CD2 4.19Å; L125-L127 HydrophobicContact CG-CG 4.5Å; L125-L127 PolarHBondContact O-N 2.83Å; L125-N143 HydrophobicContact CD1-CB 3.88Å; L125-N143 HydrophobicContact CG-CB 4.47Å | ||
| 126 | N | 98.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.169 | C | C | . | . | trans | -73.5 | 124.5 | 174.4 | 174.2 | 39.6 | 0 | 0 | 0 | 110.5 | L122 S124 F128 D135 N143 F329 G339 T340 | L122-N126 HydrophobicContact CB-CB 4.48Å; L122-N126 WeakPolarHBondContact O-CB 3.44Å; S124-N126 PolarHBondContact O-N 3.43Å; N126-F128 PolarHBondContact ND2-O 3.01Å; N126-F128 PolarHBondContact OD1-N 2.98Å; N126-F128 PolarHBondContact OD1-O 2.93Å; N126-D135 WeakPolarHBondContact CB-OD2 3.45Å; N126-D135 PolarHBondContact ND2-OD2 2.81Å; N126-N143 PolarHBondContact N-ND2 3.33Å; N126-N143 WeakPolarHBondContact O-CB 3.27Å; N126-N143 PolarHBondContact O-ND2 3.42Å; N126-F329 HydrophobicContact CB-CZ 4.31Å; N126-G339 WeakPolarHBondContact OD1-CA 3.18Å; N126-T340 PolarHBondContact OD1-N 2.93Å | ||
| 127 | L | 97.6 | Very high | 94.4 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | trans | -105.4 | 4.2 | -173.4 | -60.7 | 169.6 | 0 | 0 | 0 | 113.7 | S110 L125 V140 N143 R144 L147 T340 V342 | S110-L127 VanDerWaalsContact OG-CD1 3.31Å; S110-L127 WeakPolarHBondContact OG-CD1 3.47Å; L125-L127 HydrophobicContact CG-CD2 4.19Å; L125-L127 HydrophobicContact CG-CG 4.5Å; L125-L127 PolarHBondContact O-N 2.83Å; L127-V140 WeakPolarHBondContact O-CG1 3.47Å; L127-N143 HydrophobicContact CD2-CB 4.09Å; L127-R144 HydrophobicContact CD2-CG 4.01Å; L127-R144 PolarHBondContact O-NE 3.27Å; L127-R144 PolarHBondContact O-NH2 2.68Å; L127-L147 HydrophobicContact CD1-CD2 3.63Å; L127-L147 HydrophobicContact CD2-CB 4.29Å; L127-L147 HydrophobicContact CD2-CD2 4.06Å; L127-T340 WeakPolarHBondContact CB-O 3.43Å; L127-T340 PolarHBondContact N-O 3.17Å; L127-V342 HydrophobicContact CB-CG1 3.99Å; L127-V342 HydrophobicContact CD1-CB 4.22Å; L127-V342 HydrophobicContact CD1-CG1 3.96Å; L127-V342 HydrophobicContact CD1-CG2 3.54Å | ||
| 128 | F | 95.6 | Very high | 94.4 | Very high | 56 Ų | 56 | 39.5 Ų | 39.5 | 25% | 0.246 | 20% | 0.195 | C | C | . | . | trans | -135.2 | 134.1 | 177.6 | -176.7 | -108.3 | 0 | 0 | 0 | 112.7 | N126 T340 | N126-F128 PolarHBondContact ND2-O 3.01Å; N126-F128 PolarHBondContact OD1-N 2.98Å; N126-F128 PolarHBondContact OD1-O 2.93Å; F128-T340 HydrophobicContact CB-CG2 4.04Å | ||
| 129 | S | 92.7 | Very high | 94.4 | Very high | 28 Ų | 28 | 38.1 Ų | 38.1 | 20% | 0.196 | 19% | 0.19 | C | C | . | . | trans | -118.5 | 148.2 | 171.2 | -178.4 | 0 | 0 | 0 | 0 | 108.9 | D135 | S129-D135 PolarHBondContact OG-O 2.89Š| ||
| 130 | S | 91.5 | Very high | 94.6 | Very high | 37 Ų | 37 | 37.6 Ų | 37.6 | 26% | 0.259 | 19% | 0.188 | S | C | . | . | trans | -145 | 161.7 | 168.2 | 74 | 0 | 0 | 0 | 0 | 109.3 | R132 R133 | S130-R132 PolarHBondContact O-N 3.35Å; S130-R133 PolarHBondContact O-N 2.92Å | ||
| 131 | S | 89.3 | Confident | 94.8 | Very high | 77 Ų | 77 | 36.5 Ų | 36.5 | 54% | 0.538 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -23 | -179.1 | 57.3 | 0 | 0 | 0 | 0 | 114 | A43 | A43-S131 PolarHBondContact N-O 2.99Š|
| 132 | R | 88.7 | Confident | 95 | Very high | 223 Ų | 223 | 35 Ų | 35 | 84% | 0.842 | 16% | 0.164 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | -10.5 | -179.3 | -57.6 | -177.8 | -172.2 | 169.4 | 2.4 | 113.9 | S130 | S130-R132 PolarHBondContact O-N 3.35Š|
| 133 | R | 89.2 | Confident | 95.1 | Very high | 26 Ų | 26 | 35 Ų | 35 | 10% | 0.098 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -100.4 | 157.8 | -179.6 | -67.4 | -174.9 | -175.7 | -178.7 | 6.7 | 110.5 | T42 S130 F338 T340 | T42-R133 VanDerWaalsContact CB-O 3.25Å; T42-R133 WeakPolarHBondContact CB-O 3.39Å; T42-R133 WeakPolarHBondContact CG2-O 3.47Å; T42-R133 PolarHBondContact OG1-O 2.92Å; S130-R133 PolarHBondContact O-N 2.92Å; R133-F338 PolarHBondContact NH1-O 3.45Å; R133-T340 PolarHBondContact NH1-OG1 3.48Å |
| 134 | R | 91.9 | Very high | 95.1 | Very high | 43 Ų | 43 | 37.5 Ų | 37.5 | 16% | 0.162 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -81.8 | -17.8 | -179.5 | -71.3 | -178.5 | 177.1 | -86.5 | 1.7 | 114 | K10 D14 D17 V44 I119 L122 | K10-R134 WeakPolarHBondContact CE-O 3.38Å; K10-R134 PolarHBondContact NZ-O 2.79Å; D14-R134 WeakPolarHBondContact OD1-CD 3.47Å; D14-R134 IonicContact OD1-CZ 2.82Å; D14-R134 IonicContact OD1-NE 3.37Å; D14-R134 IonicContact OD1-NH1 3.53Å; D14-R134 PolarHBondContact OD1-NH1 2.86Å; D17-R134 IonicContact OD1-CZ 3.91Å; D17-R134 IonicContact OD1-NH2 2.64Å; D17-R134 PolarHBondContact OD1-NH2 3.35Å; V44-R134 HydrophobicContact CG1-CG 4.12Å; I119-R134 HydrophobicContact CD1-CB 3.25Å; I119-R134 HydrophobicContact CD1-CG 4.28Å; L122-R134 HydrophobicContact CD1-CB 4.46Å |
| 135 | D | 93.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -77.7 | 122.4 | 176.4 | -123.5 | 13.6 | 0 | 0 | 0 | 111 | T42 S117 L122 N126 S129 V140 | T42-D135 WeakPolarHBondContact CG2-O 3.25Å; S117-D135 WeakPolarHBondContact CB-OD2 3.36Å; S117-D135 PolarHBondContact OG-OD2 2.86Å; L122-D135 HydrophobicContact CD1-CB 3.64Å; N126-D135 WeakPolarHBondContact CB-OD2 3.45Å; N126-D135 PolarHBondContact ND2-OD2 2.81Å; S129-D135 PolarHBondContact OG-O 2.89Å; D135-V140 HydrophobicContact CB-CG2 4.17Å |
| 136 | P | 95.3 | Very high | 95.1 | Very high | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.006 | 19% | 0.189 | C | C | . | . | trans | -82.2 | 163.6 | -176.3 | 38.3 | -40.2 | 0 | 0 | 0 | 112 | M39 L40 T42 A138 V139 V140 | M39-P136 WeakPolarHBondContact O-CB 3.48Å; L40-P136 VanDerWaalsContact O-CB 3.25Å; L40-P136 WeakPolarHBondContact O-CB 3.46Å; L40-P136 VanDerWaalsContact O-CG 3.26Å; L40-P136 WeakPolarHBondContact O-CG 3.36Å; T42-P136 HydrophobicContact CG2-CB 4.24Å; P136-A138 VanDerWaalsContact C-N 3.35Å; P136-A138 PolarHBondContact O-N 2.92Å; P136-V139 HydrophobicContact CG-CB 3.91Å; P136-V139 HydrophobicContact CG-CG2 3.52Å; P136-V139 PolarHBondContact O-N 2.94Å; P136-V140 PolarHBondContact O-N 2.95Å | ||
| 137 | R | 93.9 | Very high | 95.1 | Very high | 130 Ų | 130 | 42.3 Ų | 42.3 | 49% | 0.491 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -55.6 | -46.6 | -175.9 | -177.6 | 172.5 | 72.2 | 111.3 | -7.7 | 112.3 | V139 V140 E141 | R137-V139 PolarHBondContact O-N 2.89Å; R137-V140 PolarHBondContact O-N 3.5Å; R137-E141 WeakPolarHBondContact CD-OE1 3.42Å; R137-E141 HydrophobicContact CG-CG 4.18Å; R137-E141 WeakPolarHBondContact CG-OE1 3.09Å; R137-E141 IonicContact CZ-OE1 3.27Å; R137-E141 IonicContact NE-OE1 3.23Å; R137-E141 IonicContact NH1-OE1 3.73Å; R137-E141 PolarHBondContact NH1-OE1 3.48Å; R137-E141 IonicContact NH1-OE2 3.92Å; R137-E141 WeakPolarHBondContact O-CB 3.48Å; R137-E141 WeakPolarHBondContact O-CG 3.42Å; R137-E141 PolarHBondContact O-N 2.98Å |
| 138 | A | 96.7 | Very high | 95.1 | Very high | 9 Ų | 9 | 42.2 Ų | 42.2 | 7% | 0.074 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.2 | -37 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | M39 V79 L83 P136 E141 E142 | M39-A138 HydrophobicContact CB-CB 4.1Å; M39-A138 WeakPolarHBondContact O-CB 3.42Å; M39-A138 PolarHBondContact O-N 3.15Å; V79-A138 HydrophobicContact CG1-CB 3.73Å; L83-A138 VanDerWaalsContact CD1-C 3.48Å; L83-A138 HydrophobicContact CD1-CB 3.69Å; L83-A138 WeakPolarHBondContact CD1-O 3.38Å; P136-A138 VanDerWaalsContact C-N 3.35Å; P136-A138 PolarHBondContact O-N 2.92Å; A138-E141 PolarHBondContact O-N 3.3Å; A138-E142 PolarHBondContact O-N 2.92Å |
| 139 | V | 97.9 | Very high | 95.2 | Very high | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.006 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.7 | -42.1 | 176.5 | 171.7 | 0 | 0 | 0 | 0 | 110.7 | L83 V116 P136 R137 E142 N143 | L83-V139 HydrophobicContact CD1-CG2 4.37Å; L83-V139 HydrophobicContact CD2-CG2 3.99Å; V116-V139 HydrophobicContact CG2-CG1 3.9Å; P136-V139 HydrophobicContact CG-CB 3.91Å; P136-V139 HydrophobicContact CG-CG2 3.52Å; P136-V139 PolarHBondContact O-N 2.94Å; R137-V139 PolarHBondContact O-N 2.89Å; V139-E142 PolarHBondContact O-N 2.83Å; V139-N143 PolarHBondContact O-N 3.26Å |
| 140 | V | 97.4 | Very high | 95.4 | Very high | 3 Ų | 3 | 47 Ų | 47 | 2% | 0.018 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -69.9 | -36.4 | 177.1 | 171.2 | 0 | 0 | 0 | 0 | 111.9 | L127 D135 P136 R137 E142 N143 R144 | L127-V140 WeakPolarHBondContact O-CG1 3.47Å; D135-V140 HydrophobicContact CB-CG2 4.17Å; P136-V140 PolarHBondContact O-N 2.95Å; R137-V140 PolarHBondContact O-N 3.5Å; V140-E142 VanDerWaalsContact C-N 3.35Å; V140-N143 PolarHBondContact O-N 3.44Å; V140-R144 WeakPolarHBondContact O-CG 3.36Å; V140-R144 PolarHBondContact O-N 2.69Å |
| 141 | E | 96.8 | Very high | 95.6 | Very high | 81 Ų | 81 | 46.4 Ų | 46.4 | 38% | 0.379 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -62.9 | -40.1 | 173.5 | -75.9 | 170.2 | 172.7 | 0 | 0 | 111.5 | R137 A138 R144 R145 | R137-E141 WeakPolarHBondContact CD-OE1 3.42Å; R137-E141 HydrophobicContact CG-CG 4.18Å; R137-E141 WeakPolarHBondContact CG-OE1 3.09Å; R137-E141 IonicContact CZ-OE1 3.27Å; R137-E141 IonicContact NE-OE1 3.23Å; R137-E141 IonicContact NH1-OE1 3.73Å; R137-E141 PolarHBondContact NH1-OE1 3.48Å; R137-E141 IonicContact NH1-OE2 3.92Å; R137-E141 WeakPolarHBondContact O-CB 3.48Å; R137-E141 WeakPolarHBondContact O-CG 3.42Å; R137-E141 PolarHBondContact O-N 2.98Å; A138-E141 PolarHBondContact O-N 3.3Å; E141-R144 PolarHBondContact O-N 3.07Å; E141-R145 PolarHBondContact O-N 3.17Å |
| 142 | E | 98.3 | Very high | 95.9 | Very high | 8 Ų | 8 | 45.7 Ų | 45.7 | 4% | 0.037 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.7 | -43.8 | 171.8 | 172.4 | 55.5 | -164.3 | 0 | 0 | 111.8 | L83 Q84 V116 A138 V139 V140 R144 R145 R146 | L83-E142 HydrophobicContact CB-CB 4.16Å; L83-E142 HydrophobicContact CB-CG 4.15Å; L83-E142 HydrophobicContact CD1-CB 4.5Å; Q84-E142 VanDerWaalsContact CG-OE2 3.3Å; Q84-E142 WeakPolarHBondContact CG-OE2 3.26Å; V116-E142 HydrophobicContact CG1-CG 4.3Å; V116-E142 HydrophobicContact CG2-CB 4.19Å; V116-E142 HydrophobicContact CG2-CG 3.82Å; A138-E142 PolarHBondContact O-N 2.92Å; V139-E142 PolarHBondContact O-N 2.83Å; V140-E142 VanDerWaalsContact C-N 3.35Å; E142-R144 VanDerWaalsContact C-N 3.31Å; E142-R144 PolarHBondContact O-N 3.13Å; E142-R145 WeakPolarHBondContact O-CB 3.43Å; E142-R145 PolarHBondContact O-N 3.26Å; E142-R145 IonicContact OE1-CZ 2.75Å; E142-R145 IonicContact OE1-NE 2.78Å; E142-R145 IonicContact OE1-NH2 3.67Å; E142-R145 PolarHBondContact OE1-NH2 3.4Å; E142-R145 IonicContact OE2-CZ 2.92Å; E142-R145 IonicContact OE2-NE 3.6Å; E142-R145 PolarHBondContact OE2-NE 2.82Å; E142-R145 IonicContact OE2-NH2 3.95Å; E142-R145 PolarHBondContact OE2-NH2 2.95Å; E142-R146 WeakPolarHBondContact O-CG 3.41Å; E142-R146 PolarHBondContact O-N 2.91Å; E142-R146 WeakPolarHBondContact OE1-CG 3.39Å; E142-R146 IonicContact OE1-CZ 3.9Å; E142-R146 IonicContact OE1-NE 2.63Å; E142-R146 PolarHBondContact OE1-NE 3.08Å; E142-R146 IonicContact OE1-NH2 3.2Å; E142-R146 PolarHBondContact OE1-NH2 3.31Å |
| 143 | N | 98.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.8 | -41 | 174.8 | -72 | -27.1 | 0 | 0 | 0 | 112.2 | G115 V116 S117 S124 L125 N126 L127 V139 V140 R146 L147 | G115-N143 WeakPolarHBondContact CA-OD1 3.31Å; V116-N143 VanDerWaalsContact CG2-OD1 3.29Å; V116-N143 WeakPolarHBondContact CG2-OD1 3.48Å; V116-N143 PolarHBondContact N-OD1 3.21Å; S117-N143 PolarHBondContact OG-ND2 2.84Å; S124-N143 PolarHBondContact O-ND2 3.41Å; L125-N143 HydrophobicContact CD1-CB 3.88Å; L125-N143 HydrophobicContact CG-CB 4.47Å; N126-N143 PolarHBondContact N-ND2 3.33Å; N126-N143 WeakPolarHBondContact O-CB 3.27Å; N126-N143 PolarHBondContact O-ND2 3.42Å; L127-N143 HydrophobicContact CD2-CB 4.09Å; V139-N143 PolarHBondContact O-N 3.26Å; V140-N143 PolarHBondContact O-N 3.44Å; N143-R146 PolarHBondContact O-N 3.02Å; N143-L147 PolarHBondContact O-N 2.93Å |
| 144 | R | 98.1 | Very high | 96.2 | Very high | 63 Ų | 63 | 40.4 Ų | 40.4 | 24% | 0.238 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.9 | -41.1 | 175 | -71.8 | 173.1 | -177.4 | 179.3 | 3.5 | 111.7 | L127 V140 E141 E142 L147 A148 L158 L160 | L127-R144 HydrophobicContact CD2-CG 4.01Å; L127-R144 PolarHBondContact O-NE 3.27Å; L127-R144 PolarHBondContact O-NH2 2.68Å; V140-R144 WeakPolarHBondContact O-CG 3.36Å; V140-R144 PolarHBondContact O-N 2.69Å; E141-R144 PolarHBondContact O-N 3.07Å; E142-R144 VanDerWaalsContact C-N 3.31Å; E142-R144 PolarHBondContact O-N 3.13Å; R144-L147 PolarHBondContact O-N 3.06Å; R144-A148 VanDerWaalsContact O-CB 3.31Å; R144-A148 WeakPolarHBondContact O-CB 3.15Å; R144-A148 PolarHBondContact O-N 3.39Å; R144-L158 HydrophobicContact CB-CD2 4.35Å; R144-L158 HydrophobicContact CG-CD2 4.07Å; R144-L160 VanDerWaalsContact CZ-CD1 3.41Å; R144-L160 VanDerWaalsContact NH2-CD1 3.31Å |
| 145 | R | 97.8 | Very high | 95.7 | Very high | 72 Ų | 72 | 40.5 Ų | 40.5 | 27% | 0.272 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -59.9 | -46.5 | 174.4 | -168.7 | -162.4 | 66.5 | 78.8 | 2.8 | 111.2 | E141 E142 A148 V149 P155 | E141-R145 PolarHBondContact O-N 3.17Å; E142-R145 WeakPolarHBondContact O-CB 3.43Å; E142-R145 PolarHBondContact O-N 3.26Å; E142-R145 IonicContact OE1-CZ 2.75Å; E142-R145 IonicContact OE1-NE 2.78Å; E142-R145 IonicContact OE1-NH2 3.67Å; E142-R145 PolarHBondContact OE1-NH2 3.4Å; E142-R145 IonicContact OE2-CZ 2.92Å; E142-R145 IonicContact OE2-NE 3.6Å; E142-R145 PolarHBondContact OE2-NE 2.82Å; E142-R145 IonicContact OE2-NH2 3.95Å; E142-R145 PolarHBondContact OE2-NH2 2.95Å; R145-A148 WeakPolarHBondContact O-CB 3.23Å; R145-A148 PolarHBondContact O-N 3.33Å; R145-V149 WeakPolarHBondContact O-CG2 3.18Å; R145-V149 PolarHBondContact O-N 3.21Å; R145-P155 HydrophobicContact CG-CG 4.31Å |
| 146 | R | 98.4 | Very high | 95.4 | Very high | 29 Ų | 29 | 47.5 Ų | 47.5 | 11% | 0.109 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.9 | -43.6 | 177.7 | -64.7 | 179.7 | 179.3 | -147.5 | -7.1 | 112.4 | L86 I93 V116 E142 N143 A148 V149 H150 | L86-R146 PolarHBondContact O-NH2 3.27Å; I93-R146 VanDerWaalsContact CD1-C 3.45Å; I93-R146 HydrophobicContact CD1-CB 3.5Å; I93-R146 WeakPolarHBondContact CD1-O 3.12Å; V116-R146 VanDerWaalsContact CG1-NH1 3.34Å; E142-R146 WeakPolarHBondContact O-CG 3.41Å; E142-R146 PolarHBondContact O-N 2.91Å; E142-R146 WeakPolarHBondContact OE1-CG 3.39Å; E142-R146 IonicContact OE1-CZ 3.9Å; E142-R146 IonicContact OE1-NE 2.63Å; E142-R146 PolarHBondContact OE1-NE 3.08Å; E142-R146 IonicContact OE1-NH2 3.2Å; E142-R146 PolarHBondContact OE1-NH2 3.31Å; N143-R146 PolarHBondContact O-N 3.02Å; R146-A148 VanDerWaalsContact C-N 3.32Å; R146-A148 PolarHBondContact O-N 3.01Å; R146-V149 PolarHBondContact O-N 3.2Å; R146-H150 WeakPolarHBondContact O-CB 3.06Å; R146-H150 PolarHBondContact O-N 3.44Å |
| 147 | L | 98.4 | Very high | 95 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -58.9 | -45.9 | 174.2 | 176.6 | 65.2 | 0 | 0 | 0 | 111.1 | I93 T95 L127 N143 R144 V149 H150 A151 F153 V342 F344 | I93-L147 HydrophobicContact CG2-CD1 4.33Å; T95-L147 HydrophobicContact CG2-CD1 4.05Å; L127-L147 HydrophobicContact CD1-CD2 3.63Å; L127-L147 HydrophobicContact CD2-CB 4.29Å; L127-L147 HydrophobicContact CD2-CD2 4.06Å; N143-L147 PolarHBondContact O-N 2.93Å; R144-L147 PolarHBondContact O-N 3.06Å; L147-V149 PolarHBondContact O-N 3.28Å; L147-H150 PolarHBondContact O-N 2.96Å; L147-A151 VanDerWaalsContact O-CB 3.27Å; L147-A151 WeakPolarHBondContact O-CB 3.29Å; L147-A151 PolarHBondContact O-N 3.18Å; L147-F153 HydrophobicContact CG-CZ 4.45Å; L147-V342 HydrophobicContact CD2-CG2 4Å; L147-F344 HydrophobicContact CD1-CE1 3.91Å; L147-F344 HydrophobicContact CD1-CZ 4.19Å; L147-F344 HydrophobicContact CD2-CD1 4.23Å; L147-F344 HydrophobicContact CD2-CE1 4.27Å; L147-F344 HydrophobicContact CG-CE1 4.45Å |
| 148 | A | 97.4 | Very high | 95 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.5 | -46.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | R144 R145 R146 A151 G152 F153 P155 | R144-A148 VanDerWaalsContact O-CB 3.31Å; R144-A148 WeakPolarHBondContact O-CB 3.15Å; R144-A148 PolarHBondContact O-N 3.39Å; R145-A148 WeakPolarHBondContact O-CB 3.23Å; R145-A148 PolarHBondContact O-N 3.33Å; R146-A148 VanDerWaalsContact C-N 3.32Å; R146-A148 PolarHBondContact O-N 3.01Å; A148-A151 PolarHBondContact O-N 2.68Å; A148-G152 PolarHBondContact O-N 2.6Å; A148-F153 CarbonylContact C-O 3.56Å; A148-F153 HydrophobicContact CB-CD2 3.73Å; A148-F153 HydrophobicContact CB-CE1 4.48Å; A148-F153 HydrophobicContact CB-CE2 3.41Å; A148-F153 VanDerWaalsContact CB-CE2 3.41Å; A148-F153 HydrophobicContact CB-CG 4.36Å; A148-F153 HydrophobicContact CB-CZ 3.84Å; A148-F153 WeakPolarHBondContact CB-O 3.14Å; A148-F153 PolarHBondContact O-N 3.15Å; A148-F153 VanDerWaalsContact O-O 3.1Å; A148-P155 HydrophobicContact CB-CB 3.75Å; A148-P155 HydrophobicContact CB-CG 4.41Å |
| 149 | V | 96.8 | Very high | 95 | Very high | 100 Ų | 100 | 47.9 Ų | 47.9 | 61% | 0.606 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -60.9 | -45.6 | 174.8 | 172.5 | 0 | 0 | 0 | 0 | 111.4 | R145 R146 L147 A151 G152 | R145-V149 WeakPolarHBondContact O-CG2 3.18Å; R145-V149 PolarHBondContact O-N 3.21Å; R146-V149 PolarHBondContact O-N 3.2Å; L147-V149 PolarHBondContact O-N 3.28Å; V149-A151 PolarHBondContact O-N 2.73Å; V149-G152 PolarHBondContact O-N 3.4Å |
| 150 | H | 97.4 | Very high | 94.9 | Very high | 85 Ų | 85 | 49 Ų | 49 | 39% | 0.394 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -62 | -41.8 | 177.7 | 171.5 | 87.1 | 0 | 0 | 0 | 112.4 | I93 T95 R146 L147 | I93-H150 HydrophobicContact CB-CB 4.15Å; I93-H150 HydrophobicContact CD1-CB 4.2Å; I93-H150 HydrophobicContact CG2-CB 3.94Å; I93-H150 VanDerWaalsContact CG2-CD2 3.48Å; I93-H150 WeakPolarHBondContact CG2-CD2 3.11Å; I93-H150 VanDerWaalsContact CG2-CG 3.49Å; I93-H150 PolarHBondContact O-CE1 3.01Å; I93-H150 PolarHBondContact O-ND1 3.29Å; T95-H150 PolarHBondContact OG1-NE2 2.69Å; R146-H150 WeakPolarHBondContact O-CB 3.06Å; R146-H150 PolarHBondContact O-N 3.44Å; L147-H150 PolarHBondContact O-N 2.96Å |
| 151 | A | 96.1 | Very high | 94.9 | Very high | 24 Ų | 24 | 49.1 Ų | 49.1 | 20% | 0.198 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -83.6 | -14.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | L147 A148 V149 F153 F344 W346 | L147-A151 VanDerWaalsContact O-CB 3.27Å; L147-A151 WeakPolarHBondContact O-CB 3.29Å; L147-A151 PolarHBondContact O-N 3.18Å; A148-A151 PolarHBondContact O-N 2.68Å; V149-A151 PolarHBondContact O-N 2.73Å; A151-F153 HydrophobicContact CB-CD1 3.5Å; A151-F153 VanDerWaalsContact CB-CD1 3.5Å; A151-F153 HydrophobicContact CB-CE1 3.44Å; A151-F153 VanDerWaalsContact CB-CE1 3.44Å; A151-F344 HydrophobicContact CB-CE2 3.62Å; A151-F344 HydrophobicContact CB-CZ 3.85Å; A151-W346 HydrophobicContact CB-CH2 4.45Å; A151-W346 WeakPolarHBondContact O-CH2 3.33Å |
| 152 | G | 94.4 | Very high | 94.9 | Very high | 61 Ų | 61 | 49.2 Ų | 49.2 | 63% | 0.629 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.4 | 35.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | A148 V149 | A148-G152 PolarHBondContact O-N 2.6Å; V149-G152 PolarHBondContact O-N 3.4Å |
| 153 | F | 93.3 | Very high | 94.7 | Very high | 19 Ų | 19 | 50.6 Ų | 50.6 | 8% | 0.083 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -127.2 | 159.3 | 171.8 | 67.1 | -98.4 | 0 | 0 | 0 | 111.3 | L147 A148 A151 L158 V191 F344 W346 | L147-F153 HydrophobicContact CG-CZ 4.45Å; A148-F153 CarbonylContact C-O 3.56Å; A148-F153 HydrophobicContact CB-CD2 3.73Å; A148-F153 HydrophobicContact CB-CE1 4.48Å; A148-F153 HydrophobicContact CB-CE2 3.41Å; A148-F153 VanDerWaalsContact CB-CE2 3.41Å; A148-F153 HydrophobicContact CB-CG 4.36Å; A148-F153 HydrophobicContact CB-CZ 3.84Å; A148-F153 WeakPolarHBondContact CB-O 3.14Å; A148-F153 PolarHBondContact O-N 3.15Å; A148-F153 VanDerWaalsContact O-O 3.1Å; A151-F153 HydrophobicContact CB-CD1 3.5Å; A151-F153 VanDerWaalsContact CB-CD1 3.5Å; A151-F153 HydrophobicContact CB-CE1 3.44Å; A151-F153 VanDerWaalsContact CB-CE1 3.44Å; F153-L158 HydrophobicContact CE2-CB 4.32Å; F153-L158 HydrophobicContact CE2-CD1 4.36Å; F153-L158 HydrophobicContact CZ-CD1 4.34Å; F153-V191 HydrophobicContact CB-CG2 4.08Å; F153-V191 HydrophobicContact CD2-CB 4.42Å; F153-V191 HydrophobicContact CD2-CG1 4.43Å; F153-V191 HydrophobicContact CD2-CG2 3.67Å; F153-V191 HydrophobicContact CE1-CG1 4.48Å; F153-V191 HydrophobicContact CE2-CG1 4.34Å; F153-V191 HydrophobicContact CE2-CG2 4.26Å; F153-V191 HydrophobicContact CG-CG2 3.92Å; F153-V191 HydrophobicContact CZ-CG1 4.36Å; F153-F344 HydrophobicContact CD1-CD2 4.42Å; F153-F344 HydrophobicContact CD1-CE2 4.48Å; F153-F344 AromaticContact CE1-CD2 3.79Å; F153-F344 HydrophobicContact CE1-CD2 3.79Å; F153-F344 AromaticContact CE1-CE2 3.93Å; F153-F344 HydrophobicContact CE1-CE2 3.93Å; F153-F344 HydrophobicContact CE1-CG 4.44Å; F153-W346 HydrophobicContact CB-CD2 4.41Å; F153-W346 HydrophobicContact CB-CH2 4.46Å; F153-W346 HydrophobicContact CB-CZ2 4.16Å; F153-W346 HydrophobicContact CD1-CE3 4.19Å; F153-W346 AromaticContact CD1-CH2 3.96Å; F153-W346 HydrophobicContact CD1-CH2 3.96Å; F153-W346 HydrophobicContact CD1-CZ2 4.5Å; F153-W346 AromaticContact CD1-CZ3 3.79Å; F153-W346 HydrophobicContact CD1-CZ3 3.79Å; F153-W346 HydrophobicContact CE1-CZ3 4.44Å |
| 154 | H | 90.7 | Very high | 94.6 | Very high | 119 Ų | 119 | 53.5 Ų | 53.5 | 55% | 0.551 | 28% | 0.277 | S | S | * | . | trans | -74.9 | 136.9 | 174.9 | -170.5 | -86.4 | 0 | 0 | 0 | 110.2 | M156 P157 | H154-M156 WeakPolarHBondContact ND1-CB 3.16Å; H154-M156 PolarHBondContact ND1-N 3.27Å; H154-M156 PolarHBondContact O-N 3.07Å; H154-P157 HydrophobicContact CB-CG 4.13Å; H154-P157 WeakPolarHBondContact O-CD 3.43Å; H154-P157 WeakPolarHBondContact O-CG 3.19Å | ||
| 155 | P | 82.9 | Confident | 94.5 | Very high | 46 Ų | 46 | 54.4 Ų | 54.4 | 30% | 0.299 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -67.1 | -35.1 | -173.1 | 22.8 | -33.5 | 0 | 0 | 0 | 115.2 | R145 A148 L158 | R145-P155 HydrophobicContact CG-CG 4.31Å; A148-P155 HydrophobicContact CB-CB 3.75Å; A148-P155 HydrophobicContact CB-CG 4.41Å; P155-L158 WeakPolarHBondContact O-CB 3.46Å; P155-L158 PolarHBondContact O-N 2.76Å; P155-L158 VanDerWaalsContact O-N 3.16Å |
| 156 | M | 87.3 | Confident | 94.4 | Very high | 146 Ų | 146 | 51.7 Ų | 51.7 | 72% | 0.719 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -39.2 | -177.2 | -171.6 | 175.3 | 68.4 | 0 | 0 | 115.8 | H154 L158 R159 | H154-M156 WeakPolarHBondContact ND1-CB 3.16Å; H154-M156 PolarHBondContact ND1-N 3.27Å; H154-M156 PolarHBondContact O-N 3.07Å; M156-L158 PolarHBondContact O-N 2.83Å; M156-R159 PolarHBondContact O-NH1 2.98Å |
| 157 | P | 86.9 | Confident | 94.4 | Very high | 22 Ų | 22 | 51.7 Ų | 51.7 | 14% | 0.143 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | 0.2 | 176.6 | 27.1 | -39.2 | 0 | 0 | 0 | 115.9 | H154 R159 G189 V191 | H154-P157 HydrophobicContact CB-CG 4.13Å; H154-P157 WeakPolarHBondContact O-CD 3.43Å; H154-P157 WeakPolarHBondContact O-CG 3.19Å; P157-R159 PolarHBondContact O-N 2.98Å; P157-G189 WeakPolarHBondContact CB-O 3.46Å; P157-V191 HydrophobicContact CB-CG2 4.5Å; P157-V191 HydrophobicContact CG-CG2 4.32Å; P157-V191 PolarHBondContact O-N 3.35Å |
| 158 | L | 94.1 | Very high | 94.4 | Very high | 17 Ų | 17 | 55.7 Ų | 55.7 | 9% | 0.089 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 123.5 | 175.4 | -173.2 | 65 | 0 | 0 | 0 | 111 | R144 F153 P155 M156 V191 A193 | R144-L158 HydrophobicContact CB-CD2 4.35Å; R144-L158 HydrophobicContact CG-CD2 4.07Å; F153-L158 HydrophobicContact CE2-CB 4.32Å; F153-L158 HydrophobicContact CE2-CD1 4.36Å; F153-L158 HydrophobicContact CZ-CD1 4.34Å; P155-L158 WeakPolarHBondContact O-CB 3.46Å; P155-L158 PolarHBondContact O-N 2.76Å; P155-L158 VanDerWaalsContact O-N 3.16Å; M156-L158 PolarHBondContact O-N 2.83Å; L158-V191 HydrophobicContact CD1-CB 4.1Å; L158-V191 HydrophobicContact CD1-CG1 3.75Å; L158-A193 HydrophobicContact CD1-CB 3.73Å |
| 159 | R | 95.8 | Very high | 94.5 | Very high | 110 Ų | 110 | 57.5 Ų | 57.5 | 42% | 0.415 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 121.3 | 176.4 | -65.2 | -69.5 | -178.1 | -86 | -1.3 | 108.7 | M156 P157 M183 V190 V191 A193 | M156-R159 PolarHBondContact O-NH1 2.98Å; P157-R159 PolarHBondContact O-N 2.98Å; R159-M183 HydrophobicContact CB-CE 4.08Å; R159-M183 HydrophobicContact CB-SD 4.27Å; R159-M183 WeakPolarHBondContact O-CE 3.21Å; R159-V190 HydrophobicContact CG-CG1 3.9Å; R159-V191 PolarHBondContact N-O 2.76Å; R159-A193 WeakPolarHBondContact O-CB 3.31Å; R159-A193 PolarHBondContact O-N 3.13Å |
| 160 | L | 96.6 | Very high | 94.6 | Very high | 25 Ų | 25 | 54 Ų | 54 | 13% | 0.131 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 144 | 171.9 | -60.8 | 100.5 | 0 | 0 | 0 | 109.4 | R144 A193 Q195 V342 | R144-L160 VanDerWaalsContact CZ-CD1 3.41Å; R144-L160 VanDerWaalsContact NH2-CD1 3.31Å; L160-A193 WeakPolarHBondContact CA-O 3.3Å; L160-A193 HydrophobicContact CG-CB 4.36Å; L160-Q195 HydrophobicContact CB-CG 4.38Å; L160-Q195 HydrophobicContact CD2-CG 3.65Å; L160-V342 HydrophobicContact CD2-CG1 3.83Å |
| 161 | V | 96.8 | Very high | 94.6 | Very high | 4 Ų | 4 | 50.7 Ų | 50.7 | 2% | 0.024 | 28% | 0.275 | C | S | . | . | trans | -55.8 | 140.8 | 168.6 | -69.1 | 0 | 0 | 0 | 0 | 111.5 | V163 Y180 M183 A193 H216 | V161-V163 VanDerWaalsContact C-N 3.33Å; V161-V163 HydrophobicContact CB-CG2 4.37Å; V161-V163 HydrophobicContact CG2-CG2 3.58Å; V161-V163 PolarHBondContact O-N 3.4Å; V161-Y180 HydrophobicContact CB-CD2 4.33Å; V161-Y180 HydrophobicContact CB-CE2 4.29Å; V161-Y180 HydrophobicContact CG1-CD2 4.34Å; V161-Y180 HydrophobicContact CG1-CE2 4.33Å; V161-M183 HydrophobicContact CB-CE 4.49Å; V161-M183 HydrophobicContact CG1-CE 3.74Å; V161-M183 HydrophobicContact CG1-CG 4.28Å; V161-A193 PolarHBondContact N-O 3.06Å; V161-H216 HydrophobicContact CG2-CB 3.83Å | ||
| 162 | K | 96.6 | Very high | 94.7 | Very high | 83 Ų | 83 | 50.3 Ų | 50.3 | 36% | 0.361 | 27% | 0.27 | S | S | . | . | trans | -91.8 | 69.2 | 177.3 | -66.5 | -176.2 | -169.9 | 166.9 | 0 | 109.6 | N164 E176 E178 S179 Y180 | K162-N164 PolarHBondContact O-N 2.78Å; K162-E176 WeakPolarHBondContact CE-OE1 3.45Å; K162-E176 IonicContact NZ-OE1 2.71Å; K162-E176 PolarHBondContact NZ-OE1 3.42Å; K162-E176 IonicContact NZ-OE2 3.94Å; K162-E176 PolarHBondContact NZ-OE2 2.8Å; K162-E178 WeakPolarHBondContact CD-O 3.33Å; K162-S179 CarbonylContact O-C 3.51Å; K162-S179 WeakPolarHBondContact O-CA 3.46Å; K162-S179 WeakPolarHBondContact O-CB 3.43Å; K162-Y180 CarbonylContact C-O 3.57Å; K162-Y180 HydrophobicContact CB-CD1 4.25Å; K162-Y180 HydrophobicContact CB-CE1 4.01Å; K162-Y180 HydrophobicContact CD-CE1 3.86Å; K162-Y180 HydrophobicContact CG-CE1 3.94Å; K162-Y180 PolarHBondContact N-O 3.41Å; K162-Y180 PolarHBondContact O-N 3.32Å; K162-Y180 VanDerWaalsContact O-O 3.08Å | ||
| 163 | V | 94.9 | Very high | 94.7 | Very high | 37 Ų | 37 | 50.7 Ų | 50.7 | 22% | 0.224 | 27% | 0.274 | C | S | . | . | trans | -52.2 | 128.4 | -168.5 | 178.8 | 0 | 0 | 0 | 0 | 113.5 | V161 Y180 D181 H216 | V161-V163 VanDerWaalsContact C-N 3.33Å; V161-V163 HydrophobicContact CB-CG2 4.37Å; V161-V163 HydrophobicContact CG2-CG2 3.58Å; V161-V163 PolarHBondContact O-N 3.4Å; V163-Y180 PolarHBondContact N-O 2.77Å; V163-D181 WeakPolarHBondContact CG1-OD1 3.46Å; V163-H216 VanDerWaalsContact CG1-CD2 3.45Å; V163-H216 WeakPolarHBondContact CG1-CD2 3.23Å; V163-H216 HydrophobicContact CG2-CB 3.9Å | ||
| 164 | N | 95.5 | Very high | 94.9 | Very high | 61 Ų | 61 | 54.8 Ų | 54.8 | 33% | 0.326 | 29% | 0.292 | S | S | . | . | trans | -119.9 | 3.7 | 163.7 | 69.8 | 22.1 | 0 | 0 | 0 | 112.9 | K162 A166 D168 S179 D181 | K162-N164 PolarHBondContact O-N 2.78Å; N164-A166 VanDerWaalsContact C-N 3.32Å; N164-A166 WeakPolarHBondContact OD1-CA 3.31Å; N164-A166 WeakPolarHBondContact OD1-CB 3.49Å; N164-A166 PolarHBondContact OD1-N 3.01Å; N164-D168 PolarHBondContact ND2-OD2 3.41Å; N164-S179 PolarHBondContact ND2-OG 2.85Å; N164-D181 PolarHBondContact N-OD2 3.34Å; N164-D181 PolarHBondContact OD1-OD2 3.39Å | ||
| 165 | H | 95.6 | Very high | 95.2 | Very high | 82 Ų | 82 | 55 Ų | 55 | 38% | 0.38 | 30% | 0.304 | S | S | . | . | S | Bend | trans | 65.9 | 26.4 | -176.2 | -56 | 82.2 | 0 | 0 | 0 | 114.3 | D181 H216 R220 G221 | H165-D181 WeakPolarHBondContact CA-OD1 3.39Å; H165-D181 PolarHBondContact N-OD1 3.09Å; H165-D181 PolarHBondContact N-OD2 3.46Å; H165-H216 AromaticContact CD2-NE2 3.4Å; H165-H216 PolarHBondContact CD2-NE2 2.92Å; H165-H216 AromaticContact NE2-NE2 3.64Å; H165-R220 VanDerWaalsContact O-CB 3.27Å; H165-R220 WeakPolarHBondContact O-CB 3.24Å; H165-G221 PolarHBondContact O-N 3.33Å |
| 166 | A | 97.3 | Very high | 95.9 | Very high | 16 Ų | 16 | 57 Ų | 57 | 13% | 0.132 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -105.3 | -143.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | N164 D181 G221 M224 | N164-A166 VanDerWaalsContact C-N 3.32Å; N164-A166 WeakPolarHBondContact OD1-CA 3.31Å; N164-A166 WeakPolarHBondContact OD1-CB 3.49Å; N164-A166 PolarHBondContact OD1-N 3.01Å; A166-D181 PolarHBondContact N-OD2 2.88Å; A166-G221 WeakPolarHBondContact O-CA 3.44Å; A166-M224 HydrophobicContact CB-CE 3.86Å; A166-M224 HydrophobicContact CB-SD 4.07Å |
| 167 | S | 98.2 | Very high | 96.3 | Very high | 29 Ų | 29 | 52.9 Ų | 52.9 | 20% | 0.203 | 29% | 0.293 | C | S | . | . | trans | -131 | 14.3 | -174.8 | 62.3 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 168 | D | 98.3 | Very high | 96.8 | Very high | 84 Ų | 84 | 60.8 Ų | 60.8 | 45% | 0.449 | 33% | 0.328 | S | S | . | . | trans | -69.5 | 136.7 | -178.3 | -59.6 | -66.1 | 0 | 0 | 0 | 111.4 | N164 D181 S182 | N164-D168 PolarHBondContact ND2-OD2 3.41Å; D168-D181 PolarHBondContact O-N 2.83Å; D168-S182 PolarHBondContact O-N 2.97Å; D168-S182 VanDerWaalsContact O-N 3.12Å | ||
| 169 | V | 98.8 | Very high | 97 | Very high | 37 Ų | 37 | 61.9 Ų | 61.9 | 22% | 0.224 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 119.9 | 179.9 | -170.3 | 0 | 0 | 0 | 0 | 109.7 | S182 V184 A229 A233 | V169-S182 CarbonylContact C-O 3.59Å; V169-S182 WeakPolarHBondContact CA-O 3.25Å; V169-V184 HydrophobicContact CG1-CG1 4.09Å; V169-V184 HydrophobicContact CG1-CG2 4.09Å; V169-A229 HydrophobicContact CG2-CB 3.83Å; V169-A233 HydrophobicContact CB-CB 4.21Å; V169-A233 HydrophobicContact CG1-CB 3.71Å |
| 170 | W | 98.7 | Very high | 97.1 | Very high | 27 Ų | 27 | 56.8 Ų | 56.8 | 10% | 0.102 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 124 | 170.5 | 179.1 | 44.9 | 0 | 0 | 0 | 111.1 | L172 K174 P175 E176 P177 Y180 S182 M183 V184 | W170-L172 HydrophobicContact CD2-CD1 4.08Å; W170-L172 HydrophobicContact CE3-CD1 3.64Å; W170-L172 HydrophobicContact CE3-CG 4.36Å; W170-L172 HydrophobicContact CH2-CD1 4.16Å; W170-L172 HydrophobicContact CH2-CG 3.98Å; W170-L172 HydrophobicContact CZ2-CG 4.32Å; W170-L172 HydrophobicContact CZ3-CD1 3.68Å; W170-L172 HydrophobicContact CZ3-CG 4Å; W170-K174 PolarHBondContact NE1-O 2.85Å; W170-P175 PolarHBondContact NE1-O 3.08Å; W170-E176 HydrophobicContact CD2-CB 4.41Å; W170-E176 HydrophobicContact CD2-CG 3.88Å; W170-E176 HydrophobicContact CE3-CG 3.94Å; W170-E176 HydrophobicContact CH2-CB 4.07Å; W170-E176 HydrophobicContact CH2-CG 3.76Å; W170-E176 HydrophobicContact CZ2-CB 3.59Å; W170-E176 HydrophobicContact CZ2-CG 3.7Å; W170-E176 HydrophobicContact CZ3-CG 3.88Å; W170-E176 WeakPolarHBondContact CZ3-OE1 3.36Å; W170-P177 VanDerWaalsContact CD1-CD 3.41Å; W170-Y180 HydrophobicContact CB-CD1 3.84Å; W170-Y180 HydrophobicContact CB-CD2 3.97Å; W170-Y180 HydrophobicContact CB-CE1 4.16Å; W170-Y180 HydrophobicContact CB-CE2 4.3Å; W170-Y180 HydrophobicContact CB-CG 3.73Å; W170-Y180 HydrophobicContact CD2-CE1 4.22Å; W170-Y180 AromaticContact CE3-CE1 3.86Å; W170-Y180 HydrophobicContact CE3-CE1 3.86Å; W170-Y180 AromaticContact CE3-CE2 3.97Å; W170-Y180 HydrophobicContact CE3-CE2 3.97Å; W170-Y180 AromaticContact CE3-CZ 3.45Å; W170-Y180 VanDerWaalsContact CE3-CZ 3.45Å; W170-Y180 HydrophobicContact CG-CD1 4.42Å; W170-Y180 HydrophobicContact CG-CE1 4.37Å; W170-Y180 WeakPolarHBondContact CZ3-OH 3.41Å; W170-S182 PolarHBondContact N-O 2.86Å; W170-M183 HydrophobicContact CB-CG 4.36Å; W170-M183 HydrophobicContact CE3-CG 3.81Å; W170-M183 HydrophobicContact CE3-SD 3.61Å; W170-M183 HydrophobicContact CZ3-SD 3.83Å; W170-M183 CarbonylContact O-C 3.6Å; W170-M183 VanDerWaalsContact O-CA 3.23Å; W170-M183 WeakPolarHBondContact O-CA 3.38Å; W170-V184 PolarHBondContact O-N 2.78Å |
| 171 | V | 98.7 | Very high | 97.2 | Very high | 15 Ų | 15 | 55.6 Ų | 55.6 | 9% | 0.091 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 113.7 | 171.2 | -175.7 | 0 | 0 | 0 | 0 | 107.8 | G173 K174 V184 N237 F238 | V171-G173 PolarHBondContact O-N 3.21Å; V171-K174 HydrophobicContact CB-CD 4.01Å; V171-K174 HydrophobicContact CB-CG 4.25Å; V171-K174 WeakPolarHBondContact O-CB 3.21Å; V171-K174 PolarHBondContact O-N 2.7Å; V171-V184 HydrophobicContact CB-CG2 4.2Å; V171-V184 HydrophobicContact CG1-CG2 4.26Å; V171-V184 HydrophobicContact CG2-CG2 3.76Å; V171-N237 HydrophobicContact CG1-CB 4.28Å; V171-F238 HydrophobicContact CG1-CE2 3.92Å; V171-F238 HydrophobicContact CG1-CZ 3.67Å |
| 172 | L | 97.7 | Very high | 97.3 | Very high | 16 Ų | 16 | 55.4 Ų | 55.4 | 8% | 0.084 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | 139.5 | -179.9 | -91.4 | 66.9 | 0 | 0 | 0 | 110.8 | W170 M183 V184 T185 V190 L192 | W170-L172 HydrophobicContact CD2-CD1 4.08Å; W170-L172 HydrophobicContact CE3-CD1 3.64Å; W170-L172 HydrophobicContact CE3-CG 4.36Å; W170-L172 HydrophobicContact CH2-CD1 4.16Å; W170-L172 HydrophobicContact CH2-CG 3.98Å; W170-L172 HydrophobicContact CZ2-CG 4.32Å; W170-L172 HydrophobicContact CZ3-CD1 3.68Å; W170-L172 HydrophobicContact CZ3-CG 4Å; L172-M183 HydrophobicContact CD1-CB 3.92Å; L172-M183 HydrophobicContact CD1-CG 4.11Å; L172-M183 HydrophobicContact CD1-SD 4Å; L172-V184 PolarHBondContact N-O 2.65Å; L172-T185 HydrophobicContact CD2-CG2 4.16Å; L172-V190 HydrophobicContact CD2-CB 4.36Å; L172-V190 HydrophobicContact CD2-CG1 3.85Å; L172-V190 HydrophobicContact CD2-CG2 4.39Å; L172-L192 HydrophobicContact CD1-CD2 4.08Å; L172-L192 HydrophobicContact CD2-CD2 3.92Å |
| 173 | G | 94.9 | Very high | 97.4 | Very high | 70 Ų | 70 | 51.4 Ų | 51.4 | 72% | 0.722 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94.6 | -14.3 | -171.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | V171 | V171-G173 PolarHBondContact O-N 3.21Š|
| 174 | K | 96.4 | Very high | 97.6 | Very high | 105 Ų | 105 | 49.7 Ų | 49.7 | 46% | 0.457 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -90 | 160.1 | 165.6 | -58.9 | -169.5 | -172.8 | 175.5 | 0 | 110.7 | W170 V171 E176 N237 | W170-K174 PolarHBondContact NE1-O 2.85Å; V171-K174 HydrophobicContact CB-CD 4.01Å; V171-K174 HydrophobicContact CB-CG 4.25Å; V171-K174 WeakPolarHBondContact O-CB 3.21Å; V171-K174 PolarHBondContact O-N 2.7Å; K174-E176 PolarHBondContact O-N 2.92Å; K174-N237 PolarHBondContact NZ-OD1 3.48Å |
| 175 | P | 97.3 | Very high | 97.7 | Very high | 124 Ų | 124 | 46.8 Ų | 46.8 | 81% | 0.805 | 27% | 0.267 | S | S | * | . | P | Polyproline II helix | trans | -49.3 | 128.7 | 172.3 | -27.7 | 35.8 | 0 | 0 | 0 | 111.2 | W170 P177 | W170-P175 PolarHBondContact NE1-O 3.08Å; P175-P177 WeakPolarHBondContact O-CD 3.27Å |
| 176 | E | 97.3 | Very high | 97.8 | Very high | 88 Ų | 88 | 47 Ų | 47 | 41% | 0.411 | 27% | 0.271 | S | S | . | . | P | Polyproline II helix | trans | -75.1 | 123.9 | -176.3 | -168.7 | -178.1 | -166.2 | 0 | 0 | 110.6 | K162 W170 K174 Y180 | K162-E176 WeakPolarHBondContact CE-OE1 3.45Å; K162-E176 IonicContact NZ-OE1 2.71Å; K162-E176 PolarHBondContact NZ-OE1 3.42Å; K162-E176 IonicContact NZ-OE2 3.94Å; K162-E176 PolarHBondContact NZ-OE2 2.8Å; W170-E176 HydrophobicContact CD2-CB 4.41Å; W170-E176 HydrophobicContact CD2-CG 3.88Å; W170-E176 HydrophobicContact CE3-CG 3.94Å; W170-E176 HydrophobicContact CH2-CB 4.07Å; W170-E176 HydrophobicContact CH2-CG 3.76Å; W170-E176 HydrophobicContact CZ2-CB 3.59Å; W170-E176 HydrophobicContact CZ2-CG 3.7Å; W170-E176 HydrophobicContact CZ3-CG 3.88Å; W170-E176 WeakPolarHBondContact CZ3-OE1 3.36Å; K174-E176 PolarHBondContact O-N 2.92Å; E176-Y180 HydrophobicContact CG-CE1 3.74Å; E176-Y180 WeakPolarHBondContact OE1-CE1 3.43Å; E176-Y180 PolarHBondContact OE1-OH 3.24Å |
| 177 | P | 96.6 | Very high | 97.8 | Very high | 58 Ų | 58 | 50.2 Ų | 50.2 | 38% | 0.377 | 28% | 0.284 | S | S | . | . | P | Polyproline II helix | trans | -67.9 | 165 | 173.4 | -18.2 | 31.7 | 0 | 0 | 0 | 112.7 | W170 P175 S179 Y180 | W170-P177 VanDerWaalsContact CD1-CD 3.41Å; P175-P177 WeakPolarHBondContact O-CD 3.27Å; P177-S179 VanDerWaalsContact C-N 3.29Å; P177-S179 PolarHBondContact O-N 2.89Å; P177-Y180 HydrophobicContact CB-CD1 4.3Å; P177-Y180 HydrophobicContact CG-CD1 4.34Å |
| 178 | E | 96.9 | Very high | 97.7 | Very high | 188 Ų | 188 | 52.6 Ų | 52.6 | 88% | 0.879 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -64.4 | -35.3 | 173.3 | -66.3 | -172.5 | 167.4 | 0 | 0 | 112.4 | K162 | K162-E178 WeakPolarHBondContact CD-O 3.33Š|
| 179 | S | 97.8 | Very high | 97.4 | Very high | 41 Ų | 41 | 50.9 Ų | 50.9 | 29% | 0.287 | 30% | 0.299 | S | S | . | . | trans | -146.2 | 150.1 | 178.6 | 57.7 | 0 | 0 | 0 | 0 | 111.9 | K162 N164 P177 | K162-S179 CarbonylContact O-C 3.51Å; K162-S179 WeakPolarHBondContact O-CA 3.46Å; K162-S179 WeakPolarHBondContact O-CB 3.43Å; N164-S179 PolarHBondContact ND2-OG 2.85Å; P177-S179 VanDerWaalsContact C-N 3.29Å; P177-S179 PolarHBondContact O-N 2.89Å | ||
| 180 | Y | 98.3 | Very high | 97.3 | Very high | 2 Ų | 2 | 50.2 Ų | 50.2 | 1% | 0.008 | 30% | 0.295 | C | S | . | . | trans | -167.4 | 149.1 | 176.9 | 50.4 | -93 | 0 | 0 | 0 | 109.5 | V161 K162 V163 W170 E176 P177 S182 M183 | V161-Y180 HydrophobicContact CB-CD2 4.33Å; V161-Y180 HydrophobicContact CB-CE2 4.29Å; V161-Y180 HydrophobicContact CG1-CD2 4.34Å; V161-Y180 HydrophobicContact CG1-CE2 4.33Å; K162-Y180 CarbonylContact C-O 3.57Å; K162-Y180 HydrophobicContact CB-CD1 4.25Å; K162-Y180 HydrophobicContact CB-CE1 4.01Å; K162-Y180 HydrophobicContact CD-CE1 3.86Å; K162-Y180 HydrophobicContact CG-CE1 3.94Å; K162-Y180 PolarHBondContact N-O 3.41Å; K162-Y180 PolarHBondContact O-N 3.32Å; K162-Y180 VanDerWaalsContact O-O 3.08Å; V163-Y180 PolarHBondContact N-O 2.77Å; W170-Y180 HydrophobicContact CB-CD1 3.84Å; W170-Y180 HydrophobicContact CB-CD2 3.97Å; W170-Y180 HydrophobicContact CB-CE1 4.16Å; W170-Y180 HydrophobicContact CB-CE2 4.3Å; W170-Y180 HydrophobicContact CB-CG 3.73Å; W170-Y180 HydrophobicContact CD2-CE1 4.22Å; W170-Y180 AromaticContact CE3-CE1 3.86Å; W170-Y180 HydrophobicContact CE3-CE1 3.86Å; W170-Y180 AromaticContact CE3-CE2 3.97Å; W170-Y180 HydrophobicContact CE3-CE2 3.97Å; W170-Y180 AromaticContact CE3-CZ 3.45Å; W170-Y180 VanDerWaalsContact CE3-CZ 3.45Å; W170-Y180 HydrophobicContact CG-CD1 4.42Å; W170-Y180 HydrophobicContact CG-CE1 4.37Å; W170-Y180 WeakPolarHBondContact CZ3-OH 3.41Å; E176-Y180 HydrophobicContact CG-CE1 3.74Å; E176-Y180 WeakPolarHBondContact OE1-CE1 3.43Å; E176-Y180 PolarHBondContact OE1-OH 3.24Å; P177-Y180 HydrophobicContact CB-CD1 4.3Å; P177-Y180 HydrophobicContact CG-CD1 4.34Å; Y180-S182 WeakPolarHBondContact CD2-O 3.2Å; Y180-M183 HydrophobicContact CD2-CG 3.69Å; Y180-M183 HydrophobicContact CD2-SD 4.48Å; Y180-M183 HydrophobicContact CE2-CE 4.16Å; Y180-M183 HydrophobicContact CE2-CG 3.22Å; Y180-M183 HydrophobicContact CE2-SD 3.46Å; Y180-M183 WeakPolarHBondContact CE2-SD 3.37Å | ||
| 181 | D | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -103.6 | -4.5 | -177.3 | -77.1 | -111.4 | 0 | 0 | 0 | 112.1 | V163 N164 H165 A166 D168 A215 H216 V226 | V163-D181 WeakPolarHBondContact CG1-OD1 3.46Å; N164-D181 PolarHBondContact N-OD2 3.34Å; N164-D181 PolarHBondContact OD1-OD2 3.39Å; H165-D181 WeakPolarHBondContact CA-OD1 3.39Å; H165-D181 PolarHBondContact N-OD1 3.09Å; H165-D181 PolarHBondContact N-OD2 3.46Å; A166-D181 PolarHBondContact N-OD2 2.88Å; D168-D181 PolarHBondContact O-N 2.83Å; D181-A215 CarbonylContact O-C 3.1Å; D181-A215 VanDerWaalsContact O-CA 3.31Å; D181-A215 WeakPolarHBondContact O-CA 3.49Å; D181-H216 PolarHBondContact O-N 2.83Å; D181-H216 IonicContact OD1-CD2 2.77Å; D181-H216 PolarHBondContact OD1-CD2 2.91Å; D181-H216 VanDerWaalsContact OD1-CD2 3.31Å; D181-V226 HydrophobicContact CB-CG2 3.89Å |
| 182 | S | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 153.4 | 175.4 | -178.1 | 0 | 0 | 0 | 0 | 112.8 | D168 V169 W170 Y180 A214 T230 | D168-S182 PolarHBondContact O-N 2.97Å; D168-S182 VanDerWaalsContact O-N 3.12Å; V169-S182 CarbonylContact C-O 3.59Å; V169-S182 WeakPolarHBondContact CA-O 3.25Å; W170-S182 PolarHBondContact N-O 2.86Å; Y180-S182 WeakPolarHBondContact CD2-O 3.2Å; S182-A214 VanDerWaalsContact CA-O 3.32Å; S182-A214 WeakPolarHBondContact CA-O 3.33Å; S182-A214 PolarHBondContact OG-O 2.83Å; S182-T230 VanDerWaalsContact CB-OG1 3.23Å; S182-T230 WeakPolarHBondContact CB-OG1 3.38Å; S182-T230 WeakPolarHBondContact OG-CB 3.46Å; S182-T230 WeakPolarHBondContact OG-CG2 3.42Å; S182-T230 PolarHBondContact OG-OG1 2.89Å |
| 183 | M | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 147.5 | 171.5 | -69.3 | -178.5 | -74.6 | 0 | 0 | 111.1 | R159 V161 W170 L172 Y180 L192 G213 A214 | R159-M183 HydrophobicContact CB-CE 4.08Å; R159-M183 HydrophobicContact CB-SD 4.27Å; R159-M183 WeakPolarHBondContact O-CE 3.21Å; V161-M183 HydrophobicContact CB-CE 4.49Å; V161-M183 HydrophobicContact CG1-CE 3.74Å; V161-M183 HydrophobicContact CG1-CG 4.28Å; W170-M183 HydrophobicContact CB-CG 4.36Å; W170-M183 HydrophobicContact CE3-CG 3.81Å; W170-M183 HydrophobicContact CE3-SD 3.61Å; W170-M183 HydrophobicContact CZ3-SD 3.83Å; W170-M183 CarbonylContact O-C 3.6Å; W170-M183 VanDerWaalsContact O-CA 3.23Å; W170-M183 WeakPolarHBondContact O-CA 3.38Å; L172-M183 HydrophobicContact CD1-CB 3.92Å; L172-M183 HydrophobicContact CD1-CG 4.11Å; L172-M183 HydrophobicContact CD1-SD 4Å; Y180-M183 HydrophobicContact CD2-CG 3.69Å; Y180-M183 HydrophobicContact CD2-SD 4.48Å; Y180-M183 HydrophobicContact CE2-CE 4.16Å; Y180-M183 HydrophobicContact CE2-CG 3.22Å; Y180-M183 HydrophobicContact CE2-SD 3.46Å; Y180-M183 WeakPolarHBondContact CE2-SD 3.37Å; M183-L192 HydrophobicContact CB-CD1 4.2Å; M183-L192 HydrophobicContact CB-CD2 4.14Å; M183-L192 HydrophobicContact CE-CD2 4.27Å; M183-L192 HydrophobicContact SD-CD2 4.25Å; M183-G213 CarbonylContact O-C 3.36Å; M183-G213 WeakPolarHBondContact O-CA 3.49Å; M183-A214 PolarHBondContact N-O 2.78Å; M183-A214 PolarHBondContact O-N 2.97Å |
| 184 | V | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 146.1 | 172.3 | -63.6 | 0 | 0 | 0 | 0 | 111.8 | V169 W170 V171 L172 I212 T230 A233 M234 F238 | V169-V184 HydrophobicContact CG1-CG1 4.09Å; V169-V184 HydrophobicContact CG1-CG2 4.09Å; W170-V184 PolarHBondContact O-N 2.78Å; V171-V184 HydrophobicContact CB-CG2 4.2Å; V171-V184 HydrophobicContact CG1-CG2 4.26Å; V171-V184 HydrophobicContact CG2-CG2 3.76Å; L172-V184 PolarHBondContact N-O 2.65Å; V184-I212 CarbonylContact C-O 3.59Å; V184-I212 VanDerWaalsContact CA-O 3.29Å; V184-I212 WeakPolarHBondContact CA-O 3.42Å; V184-T230 HydrophobicContact CG1-CG2 3.74Å; V184-A233 HydrophobicContact CG1-CB 4.41Å; V184-A233 HydrophobicContact CG2-CB 3.97Å; V184-M234 HydrophobicContact CB-CG 4.27Å; V184-M234 HydrophobicContact CG1-CG 3.68Å; V184-F238 HydrophobicContact CB-CE2 4.19Å; V184-F238 HydrophobicContact CG2-CE2 3.81Å |
| 185 | T | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.5 | 156.2 | 177.7 | -160.9 | 0 | 0 | 0 | 0 | 113.1 | L172 Q187 L192 V211 I212 | L172-T185 HydrophobicContact CD2-CG2 4.16Å; T185-Q187 WeakPolarHBondContact OG1-CB 3.21Å; T185-Q187 WeakPolarHBondContact OG1-CG 3.46Å; T185-Q187 PolarHBondContact OG1-N 3.36Å; T185-Q187 VanDerWaalsContact OG1-N 3.09Å; T185-L192 HydrophobicContact CG2-CD1 4.12Å; T185-L192 HydrophobicContact CG2-CD2 4.34Å; T185-L192 HydrophobicContact CG2-CG 4.37Å; T185-V211 WeakPolarHBondContact O-CA 3.44Å; T185-I212 HydrophobicContact CG2-CD1 4.01Å; T185-I212 HydrophobicContact CG2-CG1 3.71Å; T185-I212 PolarHBondContact N-O 2.98Å; T185-I212 WeakPolarHBondContact O-CG1 3.2Å; T185-I212 PolarHBondContact O-N 2.95Å |
| 186 | D | 97.9 | Very high | 97.2 | Very high | 86 Ų | 86 | 34.3 Ų | 34.3 | 46% | 0.46 | 19% | 0.193 | S | C | . | . | trans | -106 | 4.1 | 163.4 | 63.4 | -13.2 | 0 | 0 | 0 | 112.5 | V211 F238 I347 | D186-V211 HydrophobicContact CB-CG2 4.12Å; D186-F238 HydrophobicContact CB-CD1 3.91Å; D186-F238 HydrophobicContact CB-CE1 3.95Å; D186-F238 WeakPolarHBondContact OD1-CE1 3.26Å; D186-I347 WeakPolarHBondContact O-CD1 3.12Å | ||
| 187 | Q | 96.9 | Very high | 97.1 | Very high | 85 Ų | 85 | 30.6 Ų | 30.6 | 40% | 0.397 | 18% | 0.177 | S | C | . | . | trans | -79.3 | 133.1 | -176.5 | -62.2 | 178.1 | 9.2 | 0 | 0 | 111.6 | T185 V190 | T185-Q187 WeakPolarHBondContact OG1-CB 3.21Å; T185-Q187 WeakPolarHBondContact OG1-CG 3.46Å; T185-Q187 PolarHBondContact OG1-N 3.36Å; T185-Q187 VanDerWaalsContact OG1-N 3.09Å; Q187-V190 HydrophobicContact CB-CG2 4.45Å | ||
| 188 | T | 95.6 | Very high | 97.1 | Very high | 78 Ų | 78 | 28.2 Ų | 28.2 | 48% | 0.479 | 16% | 0.162 | S | C | . | . | S | Bend | trans | -75.7 | 168.4 | 165.5 | 56.9 | 0 | 0 | 0 | 0 | 110.8 | V190 I347 | T188-V190 PolarHBondContact O-N 2.9Å; T188-I347 HydrophobicContact CG2-CB 4.05Å; T188-I347 HydrophobicContact CG2-CG2 3.83Å |
| 189 | G | 93 | Very high | 97.2 | Very high | 49 Ų | 49 | 20.6 Ų | 20.6 | 51% | 0.505 | 13% | 0.129 | S | C | . | . | S | Bend | trans | 73.9 | 10.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | P157 | P157-G189 WeakPolarHBondContact CB-O 3.46Š|
| 190 | V | 96.4 | Very high | 97.2 | Very high | 22 Ų | 22 | 18.6 Ų | 18.6 | 13% | 0.133 | 12% | 0.115 | C | C | . | . | trans | -126.9 | 142.1 | 175.4 | -160.9 | 0 | 0 | 0 | 0 | 110.1 | R159 L172 Q187 T188 L192 W346 | R159-V190 HydrophobicContact CG-CG1 3.9Å; L172-V190 HydrophobicContact CD2-CB 4.36Å; L172-V190 HydrophobicContact CD2-CG1 3.85Å; L172-V190 HydrophobicContact CD2-CG2 4.39Å; Q187-V190 HydrophobicContact CB-CG2 4.45Å; T188-V190 PolarHBondContact O-N 2.9Å; V190-L192 HydrophobicContact CG1-CD2 4.4Å; V190-W346 VanDerWaalsContact O-CB 3.25Å; V190-W346 WeakPolarHBondContact O-CB 3.36Å | ||
| 191 | V | 98.3 | Very high | 97.2 | Very high | 3 Ų | 3 | 18.6 Ų | 18.6 | 2% | 0.018 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 113.6 | 174.8 | -173.4 | 0 | 0 | 0 | 0 | 108.8 | F153 P157 L158 R159 F344 W346 | F153-V191 HydrophobicContact CB-CG2 4.08Å; F153-V191 HydrophobicContact CD2-CB 4.42Å; F153-V191 HydrophobicContact CD2-CG1 4.43Å; F153-V191 HydrophobicContact CD2-CG2 3.67Å; F153-V191 HydrophobicContact CE1-CG1 4.48Å; F153-V191 HydrophobicContact CE2-CG1 4.34Å; F153-V191 HydrophobicContact CE2-CG2 4.26Å; F153-V191 HydrophobicContact CG-CG2 3.92Å; F153-V191 HydrophobicContact CZ-CG1 4.36Å; P157-V191 HydrophobicContact CB-CG2 4.5Å; P157-V191 HydrophobicContact CG-CG2 4.32Å; P157-V191 PolarHBondContact O-N 3.35Å; L158-V191 HydrophobicContact CD1-CB 4.1Å; L158-V191 HydrophobicContact CD1-CG1 3.75Å; R159-V191 PolarHBondContact N-O 2.76Å; V191-F344 HydrophobicContact CG1-CB 4.13Å; V191-W346 HydrophobicContact CB-CB 4.29Å; V191-W346 HydrophobicContact CG1-CB 4.37Å; V191-W346 HydrophobicContact CG1-CE3 4.22Å; V191-W346 HydrophobicContact CG2-CB 3.89Å; V191-W346 HydrophobicContact CG2-CG 4.21Å |
| 192 | L | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 140.3 | 176.6 | -54.2 | -173.3 | 0 | 0 | 0 | 109.9 | L172 M183 T185 V190 I212 A214 F344 L345 | L172-L192 HydrophobicContact CD1-CD2 4.08Å; L172-L192 HydrophobicContact CD2-CD2 3.92Å; M183-L192 HydrophobicContact CB-CD1 4.2Å; M183-L192 HydrophobicContact CB-CD2 4.14Å; M183-L192 HydrophobicContact CE-CD2 4.27Å; M183-L192 HydrophobicContact SD-CD2 4.25Å; T185-L192 HydrophobicContact CG2-CD1 4.12Å; T185-L192 HydrophobicContact CG2-CD2 4.34Å; T185-L192 HydrophobicContact CG2-CG 4.37Å; V190-L192 HydrophobicContact CG1-CD2 4.4Å; L192-I212 HydrophobicContact CD1-CD1 4.02Å; L192-I212 HydrophobicContact CD1-CG1 3.94Å; L192-I212 HydrophobicContact CG-CD1 3.98Å; L192-I212 HydrophobicContact CG-CG1 4.46Å; L192-A214 HydrophobicContact CB-CB 3.72Å; L192-F344 CarbonylContact O-C 3.53Å; L192-F344 VanDerWaalsContact O-CA 3.23Å; L192-F344 WeakPolarHBondContact O-CA 3.37Å; L192-L345 PolarHBondContact N-O 3.33Å; L192-L345 PolarHBondContact O-N 3.14Å |
| 193 | A | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 127.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | L158 R159 L160 V161 V342 G343 F344 | L158-A193 HydrophobicContact CD1-CB 3.73Å; R159-A193 WeakPolarHBondContact O-CB 3.31Å; R159-A193 PolarHBondContact O-N 3.13Å; L160-A193 WeakPolarHBondContact CA-O 3.3Å; L160-A193 HydrophobicContact CG-CB 4.36Å; V161-A193 PolarHBondContact N-O 3.06Å; A193-V342 HydrophobicContact CB-CB 4.28Å; A193-V342 HydrophobicContact CB-CG2 4.41Å; A193-G343 CarbonylContact C-O 3.52Å; A193-G343 WeakPolarHBondContact CA-O 3.48Å; A193-F344 HydrophobicContact CB-CB 4.31Å |
| 194 | G | 97.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 128.9 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | V342 G343 | G194-V342 CarbonylContact O-C 3.52Å; G194-V342 VanDerWaalsContact O-CA 3.24Å; G194-V342 WeakPolarHBondContact O-CA 3.36Å; G194-G343 PolarHBondContact N-O 3.28Å; G194-G343 PolarHBondContact O-N 3.49Å |
| 195 | Q | 95.3 | Very high | 97.2 | Very high | 19 Ų | 19 | 18.6 Ų | 18.6 | 9% | 0.089 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 140.8 | 178.9 | -66.7 | 172.1 | -31 | 0 | 0 | 111.5 | L160 H216 T340 V342 | L160-Q195 HydrophobicContact CB-CG 4.38Å; L160-Q195 HydrophobicContact CD2-CG 3.65Å; Q195-H216 PolarHBondContact O-ND1 2.59Å; Q195-T340 HydrophobicContact CB-CG2 3.96Å; Q195-T340 HydrophobicContact CG-CG2 4.31Å; Q195-V342 HydrophobicContact CG-CG1 4.45Å |
| 196 | G | 92 | Very high | 97.2 | Very high | 2 Ų | 2 | 18.6 Ų | 18.6 | 2% | 0.021 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 139.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q341 | G196-Q341 PolarHBondContact N-O 2.64Å; G196-Q341 WeakPolarHBondContact O-CG 3.37Å; G196-Q341 PolarHBondContact O-N 3.3Å; G196-Q341 PolarHBondContact O-NE2 3.36Å |
| 197 | A | 95.4 | Very high | 97.2 | Very high | 9 Ų | 9 | 16.2 Ų | 16.2 | 7% | 0.074 | 10% | 0.104 | C | C | . | . | S | Bend | trans | -166.7 | 68.8 | 164.7 | 0 | 0 | 0 | 0 | 0 | 106.1 | F329 H331 F338 | A197-F329 HydrophobicContact CB-CB 4.3Å; A197-H331 PolarHBondContact O-N 2.99Å; A197-F338 HydrophobicContact CB-CD2 3.43Å; A197-F338 VanDerWaalsContact CB-CD2 3.43Å; A197-F338 HydrophobicContact CB-CE2 3.5Å |
| 198 | D | 97.9 | Very high | 97.2 | Very high | 8 Ų | 8 | 16.8 Ų | 16.8 | 4% | 0.043 | 11% | 0.113 | C | C | . | . | S | Bend | trans | 100.4 | -47.5 | -167.5 | -55.4 | -32.3 | 0 | 0 | 0 | 115.1 | S252 V253 T321 S330 H331 V332 | D198-S252 CarbonylContact O-C 3.33Å; D198-S252 WeakPolarHBondContact O-CA 3.16Å; D198-S252 VanDerWaalsContact O-CB 3.28Å; D198-S252 WeakPolarHBondContact O-CB 3.33Å; D198-V253 HydrophobicContact CB-CB 3.64Å; D198-V253 HydrophobicContact CB-CG1 3.73Å; D198-V253 PolarHBondContact O-N 3.45Å; D198-T321 WeakPolarHBondContact CA-OG1 3.18Å; D198-T321 PolarHBondContact OD1-OG1 2.95Å; D198-S330 VanDerWaalsContact CG-OG 3.22Å; D198-S330 WeakPolarHBondContact OD1-CA 3.45Å; D198-S330 WeakPolarHBondContact OD1-CB 3.46Å; D198-S330 PolarHBondContact OD1-OG 3.27Å; D198-S330 PolarHBondContact OD2-OG 2.96Å; D198-H331 WeakPolarHBondContact OD2-CA 3.24Å; D198-H331 PolarHBondContact OD2-N 3.01Å; D198-V332 HydrophobicContact CB-CG2 4.36Å; D198-V332 WeakPolarHBondContact OD2-CB 3.34Å; D198-V332 WeakPolarHBondContact OD2-CG2 3.14Å; D198-V332 PolarHBondContact OD2-N 3.31Å |
| 199 | C | 97.8 | Very high | 97.4 | Very high | 28 Ų | 28 | 18 Ų | 18 | 19% | 0.189 | 11% | 0.112 | C | C | . | . | S | Bend | trans | -63.8 | 151 | 169.6 | -61.5 | 0 | 0 | 0 | 0 | 110.5 | P201 H216 G218 | C199-P201 VanDerWaalsContact O-CD 3.24Å; C199-P201 WeakPolarHBondContact O-CD 3.43Å; C199-H216 WeakPolarHBondContact CB-CE1 3.46Å; C199-H216 VanDerWaalsContact SG-CE1 3.58Å; C199-G218 WeakPolarHBondContact SG-CA 3.21Å |
| 200 | L | 98.2 | Very high | 97.6 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 119.2 | -173.6 | -59.4 | 72.7 | 0 | 0 | 0 | 110.6 | I202 A217 V249 I288 L289 N292 | L200-I202 HydrophobicContact CB-CD1 4.27Å; L200-I202 HydrophobicContact CB-CG1 3.91Å; L200-I202 HydrophobicContact CD2-CD1 4.42Å; L200-A217 HydrophobicContact CB-CB 4.24Å; L200-A217 WeakPolarHBondContact CD1-O 3.42Å; L200-A217 PolarHBondContact N-O 3.38Å; L200-A217 PolarHBondContact O-N 3.28Å; L200-V249 HydrophobicContact CB-CG1 4.19Å; L200-V249 HydrophobicContact CD2-CG1 3.67Å; L200-V249 HydrophobicContact CG-CG1 4.21Å; L200-I288 HydrophobicContact CD1-CB 3.99Å; L200-I288 HydrophobicContact CD1-CD1 3.36Å; L200-I288 HydrophobicContact CD1-CG1 3.65Å; L200-L289 HydrophobicContact CD2-CD1 4.13Å; L200-N292 HydrophobicContact CD2-CB 4.33Å |
| 201 | P | 98.3 | Very high | 97.7 | Very high | 1 Ų | 1 | 18.9 Ų | 18.9 | 1% | 0.006 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 119.3 | 158.5 | 31.5 | -29.6 | 0 | 0 | 0 | 108.6 | F109 C199 A215 G250 P251 | F109-P201 HydrophobicContact CD1-CB 4.35Å; F109-P201 HydrophobicContact CD1-CG 3.99Å; F109-P201 HydrophobicContact CE1-CB 4.29Å; F109-P201 HydrophobicContact CE1-CG 4.19Å; F109-P201 WeakPolarHBondContact CE1-O 3.19Å; C199-P201 VanDerWaalsContact O-CD 3.24Å; C199-P201 WeakPolarHBondContact O-CD 3.43Å; P201-A215 WeakPolarHBondContact CA-O 3.25Å; P201-G250 PolarHBondContact O-N 2.94Å; P201-P251 WeakPolarHBondContact CD-O 3.43Å |
| 202 | I | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 128.7 | -179.2 | -48.6 | 179.2 | 0 | 0 | 0 | 109.1 | L200 F204 A214 A215 A217 A227 V247 V249 N292 | L200-I202 HydrophobicContact CB-CD1 4.27Å; L200-I202 HydrophobicContact CB-CG1 3.91Å; L200-I202 HydrophobicContact CD2-CD1 4.42Å; I202-F204 HydrophobicContact CB-CE2 3.75Å; I202-F204 HydrophobicContact CB-CZ 3.95Å; I202-F204 HydrophobicContact CG2-CD2 4.23Å; I202-F204 HydrophobicContact CG2-CE1 4.01Å; I202-F204 HydrophobicContact CG2-CE2 3.46Å; I202-F204 VanDerWaalsContact CG2-CE2 3.46Å; I202-F204 HydrophobicContact CG2-CZ 3.32Å; I202-A214 CarbonylContact O-C 3.54Å; I202-A214 WeakPolarHBondContact O-CA 3.33Å; I202-A215 HydrophobicContact CB-CB 4.47Å; I202-A215 PolarHBondContact N-O 3.26Å; I202-A215 PolarHBondContact O-N 2.92Å; I202-A217 HydrophobicContact CD1-CB 3.76Å; I202-A217 HydrophobicContact CG1-CB 4.43Å; I202-A227 HydrophobicContact CD1-CB 4.02Å; I202-V247 HydrophobicContact CG2-CG1 3.4Å; I202-V249 HydrophobicContact CG1-CG1 4.37Å; I202-V249 HydrophobicContact CG2-CG2 4.33Å; I202-N292 HydrophobicContact CD1-CB 4.46Å |
| 203 | L | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 136.2 | 178.1 | -57.9 | -178.6 | 0 | 0 | 0 | 109.7 | I101 H107 F109 A214 V247 A248 F344 L345 | I101-L203 HydrophobicContact CD1-CB 3.97Å; I101-L203 HydrophobicContact CD1-CD1 4.28Å; H107-L203 HydrophobicContact CB-CD1 4.15Å; F109-L203 HydrophobicContact CD1-CD1 4.46Å; F109-L203 HydrophobicContact CE1-CD1 3.74Å; F109-L203 HydrophobicContact CE1-CG 3.74Å; F109-L203 HydrophobicContact CE2-CD1 4.26Å; F109-L203 HydrophobicContact CZ-CB 4.44Å; F109-L203 HydrophobicContact CZ-CD1 3.62Å; F109-L203 HydrophobicContact CZ-CG 3.78Å; L203-A214 HydrophobicContact CD2-CB 3.95Å; L203-V247 CarbonylContact O-C 3.49Å; L203-V247 WeakPolarHBondContact O-CA 3.46Å; L203-A248 HydrophobicContact CB-CB 4.49Å; L203-A248 PolarHBondContact N-O 2.89Å; L203-A248 PolarHBondContact O-N 2.86Å; L203-F344 WeakPolarHBondContact CD1-O 3.4Å; L203-L345 HydrophobicContact CB-CD2 4.29Å; L203-L345 HydrophobicContact CD1-CB 4.32Å; L203-L345 HydrophobicContact CD2-CB 3.99Å |
| 204 | F | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 135.4 | -178 | -55.6 | -99.5 | 0 | 0 | 0 | 109.2 | I202 I212 G213 A215 A227 T230 V231 M234 I245 V246 V247 L296 L345 | I202-F204 HydrophobicContact CB-CE2 3.75Å; I202-F204 HydrophobicContact CB-CZ 3.95Å; I202-F204 HydrophobicContact CG2-CD2 4.23Å; I202-F204 HydrophobicContact CG2-CE1 4.01Å; I202-F204 HydrophobicContact CG2-CE2 3.46Å; I202-F204 VanDerWaalsContact CG2-CE2 3.46Å; I202-F204 HydrophobicContact CG2-CZ 3.32Å; F204-I212 CarbonylContact O-C 3.58Å; F204-I212 WeakPolarHBondContact O-CA 3.37Å; F204-G213 PolarHBondContact N-O 2.87Å; F204-G213 PolarHBondContact O-N 3Å; F204-A215 HydrophobicContact CE2-CB 3.8Å; F204-A227 HydrophobicContact CZ-CB 4.1Å; F204-T230 HydrophobicContact CD1-CG2 4.38Å; F204-T230 HydrophobicContact CD2-CG2 3.55Å; F204-T230 HydrophobicContact CE1-CG2 4.48Å; F204-T230 HydrophobicContact CE2-CG2 3.65Å; F204-T230 HydrophobicContact CG-CG2 3.95Å; F204-T230 HydrophobicContact CZ-CG2 4.14Å; F204-V231 HydrophobicContact CD1-CG2 3.76Å; F204-V231 HydrophobicContact CE1-CG2 3.71Å; F204-M234 HydrophobicContact CB-CE 4.26Å; F204-M234 HydrophobicContact CB-SD 3.57Å; F204-M234 VanDerWaalsContact CB-SD 3.57Å; F204-M234 HydrophobicContact CG-SD 4.35Å; F204-I245 HydrophobicContact CB-CG2 4.46Å; F204-I245 HydrophobicContact CD1-CG2 4.42Å; F204-V246 WeakPolarHBondContact CA-O 3.44Å; F204-V247 HydrophobicContact CD1-CB 4.45Å; F204-V247 HydrophobicContact CD1-CG1 4.12Å; F204-V247 HydrophobicContact CD1-CG2 3.64Å; F204-V247 HydrophobicContact CE1-CG1 3.92Å; F204-V247 HydrophobicContact CE1-CG2 3.92Å; F204-V247 HydrophobicContact CZ-CG1 4.43Å; F204-L296 HydrophobicContact CE1-CD2 3.96Å; F204-L345 WeakPolarHBondContact O-CD2 3.46Å |
| 205 | A | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 133.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | F105 V211 I245 V246 L345 | F105-A205 HydrophobicContact CD2-CB 3.97Å; F105-A205 HydrophobicContact CE2-CB 3.81Å; F105-A205 HydrophobicContact CZ-CB 4.22Å; A205-V211 CarbonylContact C-O 3.57Å; A205-V211 WeakPolarHBondContact CA-O 3.47Å; A205-I245 WeakPolarHBondContact O-CA 3.47Å; A205-V246 HydrophobicContact CB-CG2 3.92Å; A205-V246 PolarHBondContact N-O 2.89Å; A205-V246 WeakPolarHBondContact O-CG2 3.34Å; A205-V246 PolarHBondContact O-N 3.46Å; A205-L345 HydrophobicContact CB-CD2 4.45Å |
| 206 | D | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 107.6 | 164.4 | -175.8 | -36.8 | 0 | 0 | 0 | 107.7 | V208 K209 K210 V211 M234 C240 I245 | D206-V208 VanDerWaalsContact C-N 3.27Å; D206-V208 PolarHBondContact O-N 2.98Å; D206-V208 WeakPolarHBondContact OD1-CA 3.47Å; D206-V208 WeakPolarHBondContact OD1-CB 3.11Å; D206-V208 PolarHBondContact OD1-N 3.33Å; D206-K209 HydrophobicContact CB-CB 4.31Å; D206-K209 PolarHBondContact OD1-N 3.4Å; D206-K210 VanDerWaalsContact O-CA 3.24Å; D206-K210 WeakPolarHBondContact O-CA 3.31Å; D206-K210 PolarHBondContact O-N 3.23Å; D206-V211 HydrophobicContact CB-CB 4.38Å; D206-V211 PolarHBondContact N-O 2.8Å; D206-V211 PolarHBondContact O-N 3.05Å; D206-M234 HydrophobicContact CB-CE 4.01Å; D206-C240 HydrophobicContact CB-CB 4.3Å; D206-C240 VanDerWaalsContact OD2-CA 3.3Å; D206-C240 WeakPolarHBondContact OD2-CA 3.17Å; D206-C240 WeakPolarHBondContact OD2-CB 3.33Å; D206-C240 PolarHBondContact OD2-SG 3.31Å; D206-C240 VanDerWaalsContact OD2-SG 3.41Å; D206-I245 HydrophobicContact CB-CG1 4.15Å |
| 207 | P | 97.7 | Very high | 98.3 | Very high | 36 Ų | 36 | 18.2 Ų | 18.2 | 23% | 0.234 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -16.6 | -178.8 | 30.8 | -33.7 | 0 | 0 | 0 | 113.9 | P102 F105 K210 D244 | P102-P207 HydrophobicContact CG-CB 3.97Å; P102-P207 HydrophobicContact CG-CG 4.41Å; F105-P207 HydrophobicContact CE2-CB 4.13Å; P207-K210 WeakPolarHBondContact O-CD 3.2Å; P207-K210 VanDerWaalsContact O-CE 3.28Å; P207-K210 WeakPolarHBondContact O-CE 3.39Å; P207-K210 PolarHBondContact O-NZ 3.47Å; P207-D244 VanDerWaalsContact CD-O 3.24Å; P207-D244 WeakPolarHBondContact CD-O 3.28Å |
| 208 | V | 97.8 | Very high | 98.4 | Very high | 97 Ų | 97 | 17.9 Ų | 17.9 | 59% | 0.588 | 9% | 0.093 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | -49.8 | 178.5 | -178.1 | 0 | 0 | 0 | 0 | 109.6 | D206 D244 | D206-V208 VanDerWaalsContact C-N 3.27Å; D206-V208 PolarHBondContact O-N 2.98Å; D206-V208 WeakPolarHBondContact OD1-CA 3.47Å; D206-V208 WeakPolarHBondContact OD1-CB 3.11Å; D206-V208 PolarHBondContact OD1-N 3.33Å; V208-D244 HydrophobicContact CG2-CB 4.22Å |
| 209 | K | 98.1 | Very high | 98.3 | Very high | 105 Ų | 105 | 19.8 Ų | 19.8 | 46% | 0.457 | 10% | 0.1 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -11.8 | 179 | -65 | -57.1 | -169.4 | 172.8 | 0 | 114.2 | D206 V211 G239 | D206-K209 HydrophobicContact CB-CB 4.31Å; D206-K209 PolarHBondContact OD1-N 3.4Å; K209-V211 VanDerWaalsContact C-N 3.32Å; K209-V211 HydrophobicContact CB-CG2 3.74Å; K209-G239 WeakPolarHBondContact CE-O 3.38Å |
| 210 | K | 97.8 | Very high | 98.4 | Very high | 88 Ų | 88 | 24.5 Ų | 24.5 | 38% | 0.383 | 11% | 0.114 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.3 | 45.4 | -174 | -56 | -57.1 | -173.5 | -160.3 | 0 | 112.1 | C104 F105 D206 P207 I347 | C104-K210 PolarHBondContact SG-NZ 2.97Å; F105-K210 HydrophobicContact CE1-CD 4.49Å; F105-K210 HydrophobicContact CZ-CD 4.15Å; D206-K210 VanDerWaalsContact O-CA 3.24Å; D206-K210 WeakPolarHBondContact O-CA 3.31Å; D206-K210 PolarHBondContact O-N 3.23Å; P207-K210 WeakPolarHBondContact O-CD 3.2Å; P207-K210 VanDerWaalsContact O-CE 3.28Å; P207-K210 WeakPolarHBondContact O-CE 3.39Å; P207-K210 PolarHBondContact O-NZ 3.47Å; K210-I347 WeakPolarHBondContact O-CD1 3.23Å |
| 211 | V | 98.7 | Very high | 98.4 | Very high | 1 Ų | 1 | 24.5 Ų | 24.5 | 1% | 0.006 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 138.6 | 178.4 | -178.9 | 0 | 0 | 0 | 0 | 108.2 | T185 D186 A205 D206 K209 M234 F238 | T185-V211 WeakPolarHBondContact O-CA 3.44Å; D186-V211 HydrophobicContact CB-CG2 4.12Å; A205-V211 CarbonylContact C-O 3.57Å; A205-V211 WeakPolarHBondContact CA-O 3.47Å; D206-V211 HydrophobicContact CB-CB 4.38Å; D206-V211 PolarHBondContact N-O 2.8Å; D206-V211 PolarHBondContact O-N 3.05Å; K209-V211 VanDerWaalsContact C-N 3.32Å; K209-V211 HydrophobicContact CB-CG2 3.74Å; V211-M234 HydrophobicContact CB-CE 4.12Å; V211-M234 HydrophobicContact CG1-CB 4.37Å; V211-M234 HydrophobicContact CG1-CE 3.9Å; V211-M234 HydrophobicContact CG1-CG 4.04Å; V211-F238 HydrophobicContact CB-CB 4.46Å; V211-F238 HydrophobicContact CG1-CB 4.25Å; V211-F238 HydrophobicContact CG1-CD2 3.7Å; V211-F238 HydrophobicContact CG1-CE2 4.16Å; V211-F238 HydrophobicContact CG1-CG 3.93Å; V211-F238 HydrophobicContact CG2-CB 3.44Å; V211-F238 VanDerWaalsContact CG2-CB 3.44Å; V211-F238 HydrophobicContact CG2-CD1 4.14Å; V211-F238 HydrophobicContact CG2-CD2 4.37Å; V211-F238 HydrophobicContact CG2-CG 3.75Å |
| 212 | I | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 155.3 | 177.2 | 59.6 | 167.2 | 0 | 0 | 0 | 110.7 | F105 V184 T185 L192 F204 L345 I347 | F105-I212 HydrophobicContact CD1-CG2 3.48Å; F105-I212 VanDerWaalsContact CD1-CG2 3.48Å; F105-I212 HydrophobicContact CE1-CG2 3.52Å; F105-I212 HydrophobicContact CG-CG2 4.34Å; F105-I212 HydrophobicContact CZ-CG2 4.39Å; V184-I212 CarbonylContact C-O 3.59Å; V184-I212 VanDerWaalsContact CA-O 3.29Å; V184-I212 WeakPolarHBondContact CA-O 3.42Å; T185-I212 HydrophobicContact CG2-CD1 4.01Å; T185-I212 HydrophobicContact CG2-CG1 3.71Å; T185-I212 PolarHBondContact N-O 2.98Å; T185-I212 WeakPolarHBondContact O-CG1 3.2Å; T185-I212 PolarHBondContact O-N 2.95Å; L192-I212 HydrophobicContact CD1-CD1 4.02Å; L192-I212 HydrophobicContact CD1-CG1 3.94Å; L192-I212 HydrophobicContact CG-CD1 3.98Å; L192-I212 HydrophobicContact CG-CG1 4.46Å; F204-I212 CarbonylContact O-C 3.58Å; F204-I212 WeakPolarHBondContact O-CA 3.37Å; I212-L345 HydrophobicContact CB-CD2 3.6Å; I212-L345 HydrophobicContact CB-CG 3.97Å; I212-L345 HydrophobicContact CD1-CG 4.33Å; I212-L345 HydrophobicContact CG2-CD1 4.37Å; I212-L345 HydrophobicContact CG2-CD2 3.76Å; I212-L345 HydrophobicContact CG2-CG 3.89Å; I212-I347 HydrophobicContact CD1-CG1 4.06Å; I212-I347 HydrophobicContact CG1-CD1 4.43Å; I212-I347 HydrophobicContact CG1-CG1 4.15Å; I212-I347 HydrophobicContact CG2-CG1 3.87Å |
| 213 | G | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 154.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | M183 F204 | M183-G213 CarbonylContact O-C 3.36Å; M183-G213 WeakPolarHBondContact O-CA 3.49Å; F204-G213 PolarHBondContact N-O 2.87Å; F204-G213 PolarHBondContact O-N 3Å |
| 214 | A | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 131.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | S182 M183 L192 I202 L203 | S182-A214 VanDerWaalsContact CA-O 3.32Å; S182-A214 WeakPolarHBondContact CA-O 3.33Å; S182-A214 PolarHBondContact OG-O 2.83Å; M183-A214 PolarHBondContact N-O 2.78Å; M183-A214 PolarHBondContact O-N 2.97Å; L192-A214 HydrophobicContact CB-CB 3.72Å; I202-A214 CarbonylContact O-C 3.54Å; I202-A214 WeakPolarHBondContact O-CA 3.33Å; L203-A214 HydrophobicContact CD2-CB 3.95Å |
| 215 | A | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 149.4 | 179 | 0 | 0 | 0 | 0 | 0 | 111.9 | D181 P201 I202 F204 V226 | D181-A215 CarbonylContact O-C 3.1Å; D181-A215 VanDerWaalsContact O-CA 3.31Å; D181-A215 WeakPolarHBondContact O-CA 3.49Å; P201-A215 WeakPolarHBondContact CA-O 3.25Å; I202-A215 HydrophobicContact CB-CB 4.47Å; I202-A215 PolarHBondContact N-O 3.26Å; I202-A215 PolarHBondContact O-N 2.92Å; F204-A215 HydrophobicContact CE2-CB 3.8Å; A215-V226 HydrophobicContact CB-CG2 4.41Å |
| 216 | H | 98.6 | Very high | 98.3 | Very high | 10 Ų | 10 | 32.2 Ų | 32.2 | 5% | 0.046 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 118.7 | 159.9 | 168.1 | 93 | 0 | 0 | 0 | 108 | V161 V163 H165 D181 Q195 C199 | V161-H216 HydrophobicContact CG2-CB 3.83Å; V163-H216 VanDerWaalsContact CG1-CD2 3.45Å; V163-H216 WeakPolarHBondContact CG1-CD2 3.23Å; V163-H216 HydrophobicContact CG2-CB 3.9Å; H165-H216 AromaticContact CD2-NE2 3.4Å; H165-H216 PolarHBondContact CD2-NE2 2.92Å; H165-H216 AromaticContact NE2-NE2 3.64Å; D181-H216 PolarHBondContact O-N 2.83Å; D181-H216 IonicContact OD1-CD2 2.77Å; D181-H216 PolarHBondContact OD1-CD2 2.91Å; D181-H216 VanDerWaalsContact OD1-CD2 3.31Å; Q195-H216 PolarHBondContact O-ND1 2.59Å; C199-H216 WeakPolarHBondContact CB-CE1 3.46Å; C199-H216 VanDerWaalsContact SG-CE1 3.58Å |
| 217 | A | 98.2 | Very high | 98.3 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 95.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | L200 I202 V226 | L200-A217 HydrophobicContact CB-CB 4.24Å; L200-A217 WeakPolarHBondContact CD1-O 3.42Å; L200-A217 PolarHBondContact N-O 3.38Å; L200-A217 PolarHBondContact O-N 3.28Å; I202-A217 HydrophobicContact CD1-CB 3.76Å; I202-A217 HydrophobicContact CG1-CB 4.43Å; A217-V226 HydrophobicContact CB-CG1 3.57Å |
| 218 | G | 97.4 | Very high | 98.3 | Very high | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.01 | 15% | 0.152 | C | C | . | . | trans | -75.3 | -179.3 | 160.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | C199 R220 G221 T222 | C199-G218 WeakPolarHBondContact SG-CA 3.21Å; G218-R220 PolarHBondContact O-N 3.35Å; G218-G221 PolarHBondContact O-N 2.95Å; G218-T222 VanDerWaalsContact O-CB 3.31Å; G218-T222 WeakPolarHBondContact O-CB 3.41Å; G218-T222 PolarHBondContact O-N 2.72Å; G218-T222 PolarHBondContact O-OG1 2.76Å | ||
| 219 | W | 97.5 | Very high | 98.4 | Very high | 48 Ų | 48 | 28.3 Ų | 28.3 | 18% | 0.182 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62.2 | -42.7 | -179.6 | 72.3 | -93.2 | 0 | 0 | 0 | 112.5 | T222 V223 F258 L260 Q264 F268 I288 | W219-T222 WeakPolarHBondContact O-CB 3.49Å; W219-T222 PolarHBondContact O-N 3.37Å; W219-V223 WeakPolarHBondContact O-CG2 3.23Å; W219-V223 PolarHBondContact O-N 2.92Å; W219-V223 VanDerWaalsContact O-N 3.07Å; W219-F258 HydrophobicContact CB-CE1 3.99Å; W219-F258 HydrophobicContact CB-CZ 3.8Å; W219-F258 HydrophobicContact CG-CZ 4.15Å; W219-L260 HydrophobicContact CB-CD1 4.24Å; W219-L260 HydrophobicContact CD2-CD1 4.11Å; W219-L260 HydrophobicContact CD2-CD2 4.3Å; W219-L260 HydrophobicContact CE3-CD1 4.06Å; W219-L260 HydrophobicContact CG-CD1 4.24Å; W219-L260 HydrophobicContact CG-CD2 4.28Å; W219-Q264 HydrophobicContact CH2-CB 4.23Å; W219-Q264 HydrophobicContact CH2-CG 3.81Å; W219-Q264 HydrophobicContact CZ2-CG 4.5Å; W219-Q264 HydrophobicContact CZ3-CB 4.14Å; W219-Q264 HydrophobicContact CZ3-CG 4.2Å; W219-F268 HydrophobicContact CB-CE2 4.27Å; W219-F268 HydrophobicContact CB-CZ 3.96Å; W219-F268 HydrophobicContact CE3-CE2 4.36Å; W219-I288 HydrophobicContact CB-CG2 4.44Å |
| 220 | R | 97.9 | Very high | 98.4 | Very high | 128 Ų | 128 | 23.3 Ų | 23.3 | 48% | 0.483 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -62.8 | -52 | 175.8 | -68.6 | -172.9 | 179.3 | 91.1 | -1.4 | 111.5 | H165 G218 T222 V223 M224 | H165-R220 VanDerWaalsContact O-CB 3.27Å; H165-R220 WeakPolarHBondContact O-CB 3.24Å; G218-R220 PolarHBondContact O-N 3.35Å; R220-T222 PolarHBondContact O-N 3.15Å; R220-V223 PolarHBondContact O-N 3.17Å; R220-V223 VanDerWaalsContact O-N 3.15Å; R220-M224 WeakPolarHBondContact O-CG 3.28Å; R220-M224 PolarHBondContact O-N 2.82Å |
| 221 | G | 98.2 | Very high | 98.5 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -59.7 | -32.6 | 177 | 0 | 0 | 0 | 0 | 0 | 113.3 | H165 A166 G218 M224 G225 V226 | H165-G221 PolarHBondContact O-N 3.33Å; A166-G221 WeakPolarHBondContact O-CA 3.44Å; G218-G221 PolarHBondContact O-N 2.95Å; G221-M224 CarbonylContact O-C 3.5Å; G221-M224 PolarHBondContact O-N 3.09Å; G221-G225 PolarHBondContact O-N 3.16Å; G221-V226 WeakPolarHBondContact O-CG1 3.24Å; G221-V226 PolarHBondContact O-N 3.02Å |
| 222 | T | 98.4 | Very high | 98.5 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -64.6 | -50.2 | 173.4 | -61.9 | 0 | 0 | 0 | 0 | 111.3 | G218 W219 R220 M224 G225 F268 A291 N292 L295 | G218-T222 VanDerWaalsContact O-CB 3.31Å; G218-T222 WeakPolarHBondContact O-CB 3.41Å; G218-T222 PolarHBondContact O-N 2.72Å; G218-T222 PolarHBondContact O-OG1 2.76Å; W219-T222 WeakPolarHBondContact O-CB 3.49Å; W219-T222 PolarHBondContact O-N 3.37Å; R220-T222 PolarHBondContact O-N 3.15Å; T222-M224 VanDerWaalsContact C-N 3.28Å; T222-M224 PolarHBondContact O-N 2.76Å; T222-G225 PolarHBondContact O-N 3.31Å; T222-F268 HydrophobicContact CG2-CE1 3.88Å; T222-F268 HydrophobicContact CG2-CZ 4.39Å; T222-A291 HydrophobicContact CG2-CB 3.78Å; T222-N292 WeakPolarHBondContact CG2-ND2 3.31Å; T222-N292 PolarHBondContact OG1-ND2 2.95Å; T222-L295 HydrophobicContact CG2-CD1 4.48Å; T222-L295 VanDerWaalsContact O-CD1 3.3Å; T222-L295 WeakPolarHBondContact O-CD1 3.25Å |
| 223 | V | 98.3 | Very high | 98.5 | Very high | 51 Ų | 51 | 21.5 Ų | 21.5 | 31% | 0.309 | 11% | 0.109 | S | C | . | . | H | α-helix | trans | -60.9 | -39.2 | 176.7 | 172.6 | 0 | 0 | 0 | 0 | 111.2 | W219 R220 G225 D267 F268 | W219-V223 WeakPolarHBondContact O-CG2 3.23Å; W219-V223 PolarHBondContact O-N 2.92Å; W219-V223 VanDerWaalsContact O-N 3.07Å; R220-V223 PolarHBondContact O-N 3.17Å; R220-V223 VanDerWaalsContact O-N 3.15Å; V223-G225 PolarHBondContact O-N 2.9Å; V223-D267 HydrophobicContact CG1-CB 3.88Å; V223-D267 HydrophobicContact CG2-CB 3.81Å; V223-F268 HydrophobicContact CG2-CD2 4.04Å; V223-F268 HydrophobicContact CG2-CE1 4.42Å; V223-F268 HydrophobicContact CG2-CE2 3.52Å; V223-F268 HydrophobicContact CG2-CZ 3.73Å |
| 224 | M | 98.4 | Very high | 98.5 | Very high | 106 Ų | 106 | 21.5 Ų | 21.5 | 52% | 0.522 | 11% | 0.109 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -7.2 | 175.5 | -64.7 | 177.9 | 67.2 | 0 | 0 | 113.7 | A166 R220 G221 T222 | A166-M224 HydrophobicContact CB-CE 3.86Å; A166-M224 HydrophobicContact CB-SD 4.07Å; R220-M224 WeakPolarHBondContact O-CG 3.28Å; R220-M224 PolarHBondContact O-N 2.82Å; G221-M224 CarbonylContact O-C 3.5Å; G221-M224 PolarHBondContact O-N 3.09Å; T222-M224 VanDerWaalsContact C-N 3.28Å; T222-M224 PolarHBondContact O-N 2.76Å |
| 225 | G | 98.3 | Very high | 98.5 | Very high | 6 Ų | 6 | 22.9 Ų | 22.9 | 6% | 0.062 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.3 | 37.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115 | G221 T222 V223 A227 T228 A229 | G221-G225 PolarHBondContact O-N 3.16Å; T222-G225 PolarHBondContact O-N 3.31Å; V223-G225 PolarHBondContact O-N 2.9Å; G225-A227 PolarHBondContact O-N 3.46Å; G225-T228 WeakPolarHBondContact CA-OG1 3.3Å; G225-T228 PolarHBondContact O-N 3.32Å; G225-T228 VanDerWaalsContact O-N 3.08Å; G225-T228 PolarHBondContact O-OG1 3.33Å; G225-A229 WeakPolarHBondContact O-CB 3.13Å; G225-A229 PolarHBondContact O-N 2.97Å |
| 226 | V | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -54.7 | -37.6 | 177.5 | 68.9 | 0 | 0 | 0 | 0 | 112.8 | D181 A215 A217 G221 A229 T230 | D181-V226 HydrophobicContact CB-CG2 3.89Å; A215-V226 HydrophobicContact CB-CG2 4.41Å; A217-V226 HydrophobicContact CB-CG1 3.57Å; G221-V226 WeakPolarHBondContact O-CG1 3.24Å; G221-V226 PolarHBondContact O-N 3.02Å; V226-A229 PolarHBondContact O-N 3.4Å; V226-T230 WeakPolarHBondContact O-CB 3.29Å; V226-T230 PolarHBondContact O-N 3.3Å; V226-T230 PolarHBondContact O-OG1 3.14Å |
| 227 | A | 98.8 | Very high | 98.5 | Very high | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.008 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -65.1 | -44 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | I202 F204 G225 T230 V231 N292 L296 | I202-A227 HydrophobicContact CD1-CB 4.02Å; F204-A227 HydrophobicContact CZ-CB 4.1Å; G225-A227 PolarHBondContact O-N 3.46Å; A227-T230 WeakPolarHBondContact O-CB 3.33Å; A227-T230 PolarHBondContact O-N 3.42Å; A227-V231 WeakPolarHBondContact O-CG2 3.42Å; A227-V231 PolarHBondContact O-N 2.76Å; A227-N292 WeakPolarHBondContact CB-OD1 3.37Å; A227-L296 HydrophobicContact CB-CD1 4.43Å; A227-L296 HydrophobicContact CB-CD2 4Å; A227-L296 HydrophobicContact CB-CG 4.18Å |
| 228 | T | 98.8 | Very high | 98.5 | Very high | 22 Ų | 22 | 32.7 Ų | 32.7 | 14% | 0.135 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -70.4 | -36.6 | 176.2 | 48.1 | 0 | 0 | 0 | 0 | 112.4 | G225 T230 V231 D232 L295 R299 | G225-T228 WeakPolarHBondContact CA-OG1 3.3Å; G225-T228 PolarHBondContact O-N 3.32Å; G225-T228 VanDerWaalsContact O-N 3.08Å; G225-T228 PolarHBondContact O-OG1 3.33Å; T228-T230 VanDerWaalsContact C-N 3.27Å; T228-T230 PolarHBondContact O-N 2.85Å; T228-V231 PolarHBondContact O-N 3.02Å; T228-D232 WeakPolarHBondContact O-CB 3.38Å; T228-D232 PolarHBondContact O-N 3.12Å; T228-L295 HydrophobicContact CG2-CB 3.92Å; T228-L295 WeakPolarHBondContact CG2-O 3.49Å; T228-R299 HydrophobicContact CG2-CB 3.73Å; T228-R299 HydrophobicContact CG2-CG 4.04Å |
| 229 | A | 98.9 | Very high | 98.6 | Very high | 27 Ų | 27 | 34.6 Ų | 34.6 | 22% | 0.223 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.3 | -37.2 | 174 | 0 | 0 | 0 | 0 | 0 | 111.4 | V169 G225 V226 D232 A233 | V169-A229 HydrophobicContact CG2-CB 3.83Å; G225-A229 WeakPolarHBondContact O-CB 3.13Å; G225-A229 PolarHBondContact O-N 2.97Å; V226-A229 PolarHBondContact O-N 3.4Å; A229-D232 PolarHBondContact O-N 2.95Å; A229-A233 WeakPolarHBondContact O-CB 3.04Å; A229-A233 PolarHBondContact O-N 2.84Å |
| 230 | T | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63 | -49.4 | 175.8 | -55.4 | 0 | 0 | 0 | 0 | 111.1 | S182 V184 F204 V226 A227 T228 D232 A233 M234 | S182-T230 VanDerWaalsContact CB-OG1 3.23Å; S182-T230 WeakPolarHBondContact CB-OG1 3.38Å; S182-T230 WeakPolarHBondContact OG-CB 3.46Å; S182-T230 WeakPolarHBondContact OG-CG2 3.42Å; S182-T230 PolarHBondContact OG-OG1 2.89Å; V184-T230 HydrophobicContact CG1-CG2 3.74Å; F204-T230 HydrophobicContact CD1-CG2 4.38Å; F204-T230 HydrophobicContact CD2-CG2 3.55Å; F204-T230 HydrophobicContact CE1-CG2 4.48Å; F204-T230 HydrophobicContact CE2-CG2 3.65Å; F204-T230 HydrophobicContact CG-CG2 3.95Å; F204-T230 HydrophobicContact CZ-CG2 4.14Å; V226-T230 WeakPolarHBondContact O-CB 3.29Å; V226-T230 PolarHBondContact O-N 3.3Å; V226-T230 PolarHBondContact O-OG1 3.14Å; A227-T230 WeakPolarHBondContact O-CB 3.33Å; A227-T230 PolarHBondContact O-N 3.42Å; T228-T230 VanDerWaalsContact C-N 3.27Å; T228-T230 PolarHBondContact O-N 2.85Å; T230-D232 VanDerWaalsContact C-N 3.31Å; T230-D232 PolarHBondContact O-N 3.45Å; T230-A233 WeakPolarHBondContact O-CB 3.38Å; T230-A233 PolarHBondContact O-N 3.5Å; T230-M234 WeakPolarHBondContact O-CG 3.39Å; T230-M234 PolarHBondContact O-N 3.14Å |
| 231 | V | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.7 | -43.4 | 176 | 173.1 | 0 | 0 | 0 | 0 | 110.9 | F204 A227 T228 A233 M234 V235 Y242 I245 L296 V301 | F204-V231 HydrophobicContact CD1-CG2 3.76Å; F204-V231 HydrophobicContact CE1-CG2 3.71Å; A227-V231 WeakPolarHBondContact O-CG2 3.42Å; A227-V231 PolarHBondContact O-N 2.76Å; T228-V231 PolarHBondContact O-N 3.02Å; V231-A233 VanDerWaalsContact C-N 3.32Å; V231-A233 PolarHBondContact O-N 2.88Å; V231-M234 WeakPolarHBondContact O-CB 3.34Å; V231-M234 PolarHBondContact O-N 2.75Å; V231-M234 VanDerWaalsContact O-N 3.16Å; V231-V235 WeakPolarHBondContact O-CG2 3.06Å; V231-V235 PolarHBondContact O-N 2.97Å; V231-Y242 HydrophobicContact CG1-CD1 3.36Å; V231-Y242 HydrophobicContact CG1-CE1 3.62Å; V231-I245 HydrophobicContact CG1-CD1 3.78Å; V231-L296 HydrophobicContact CG2-CD2 3.78Å; V231-V301 HydrophobicContact CG1-CG2 4.17Å; V231-V301 HydrophobicContact CG2-CG2 4.06Å |
| 232 | D | 98.9 | Very high | 98.7 | Very high | 40 Ų | 40 | 37.7 Ų | 37.7 | 21% | 0.214 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.6 | -38.6 | 177.4 | -72.6 | -5.4 | 0 | 0 | 0 | 112.6 | T228 A229 T230 V235 T236 Y242 R299 | T228-D232 WeakPolarHBondContact O-CB 3.38Å; T228-D232 PolarHBondContact O-N 3.12Å; A229-D232 PolarHBondContact O-N 2.95Å; T230-D232 VanDerWaalsContact C-N 3.31Å; T230-D232 PolarHBondContact O-N 3.45Å; D232-V235 PolarHBondContact O-N 3.43Å; D232-T236 WeakPolarHBondContact O-CB 3.3Å; D232-T236 PolarHBondContact O-N 3.43Å; D232-T236 PolarHBondContact O-OG1 2.86Å; D232-Y242 WeakPolarHBondContact OD1-CE1 3.02Å; D232-Y242 PolarHBondContact OD1-OH 3.34Å; D232-R299 IonicContact OD1-CZ 3.96Å; D232-R299 IonicContact OD1-NE 3.74Å; D232-R299 PolarHBondContact OD1-NE 3.33Å; D232-R299 IonicContact OD1-NH2 3.57Å; D232-R299 PolarHBondContact OD1-NH2 2.85Å; D232-R299 IonicContact OD2-CZ 2.79Å; D232-R299 VanDerWaalsContact OD2-CZ 3.28Å; D232-R299 IonicContact OD2-NE 3.3Å; D232-R299 PolarHBondContact OD2-NE 2.93Å; D232-R299 IonicContact OD2-NH2 3.9Å; D232-R299 PolarHBondContact OD2-NH2 3.46Å |
| 233 | A | 98.9 | Very high | 98.7 | Very high | 11 Ų | 11 | 38.8 Ų | 38.8 | 9% | 0.091 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65.2 | -41 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | V169 V184 A229 T230 V231 N237 | V169-A233 HydrophobicContact CB-CB 4.21Å; V169-A233 HydrophobicContact CG1-CB 3.71Å; V184-A233 HydrophobicContact CG1-CB 4.41Å; V184-A233 HydrophobicContact CG2-CB 3.97Å; A229-A233 WeakPolarHBondContact O-CB 3.04Å; A229-A233 PolarHBondContact O-N 2.84Å; T230-A233 WeakPolarHBondContact O-CB 3.38Å; T230-A233 PolarHBondContact O-N 3.5Å; V231-A233 VanDerWaalsContact C-N 3.32Å; V231-A233 PolarHBondContact O-N 2.88Å; A233-N237 VanDerWaalsContact O-CB 3.3Å; A233-N237 WeakPolarHBondContact O-CB 3.47Å; A233-N237 PolarHBondContact O-N 3.48Å; A233-N237 PolarHBondContact O-ND2 3.34Å |
| 234 | M | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.7 | -45.9 | 174.7 | -67.4 | 176.2 | 72.6 | 0 | 0 | 111.7 | V184 F204 D206 V211 T230 V231 F238 C240 I245 | V184-M234 HydrophobicContact CB-CG 4.27Å; V184-M234 HydrophobicContact CG1-CG 3.68Å; F204-M234 HydrophobicContact CB-CE 4.26Å; F204-M234 HydrophobicContact CB-SD 3.57Å; F204-M234 VanDerWaalsContact CB-SD 3.57Å; F204-M234 HydrophobicContact CG-SD 4.35Å; D206-M234 HydrophobicContact CB-CE 4.01Å; V211-M234 HydrophobicContact CB-CE 4.12Å; V211-M234 HydrophobicContact CG1-CB 4.37Å; V211-M234 HydrophobicContact CG1-CE 3.9Å; V211-M234 HydrophobicContact CG1-CG 4.04Å; T230-M234 WeakPolarHBondContact O-CG 3.39Å; T230-M234 PolarHBondContact O-N 3.14Å; V231-M234 WeakPolarHBondContact O-CB 3.34Å; V231-M234 PolarHBondContact O-N 2.75Å; V231-M234 VanDerWaalsContact O-N 3.16Å; M234-F238 WeakPolarHBondContact O-CB 3.32Å; M234-F238 PolarHBondContact O-N 3.23Å; M234-F238 VanDerWaalsContact O-N 3.15Å; M234-C240 HydrophobicContact CB-CB 4.14Å; M234-C240 PolarHBondContact O-N 3.4Å; M234-C240 PolarHBondContact O-SG 2.92Å; M234-I245 HydrophobicContact CB-CD1 4.16Å; M234-I245 HydrophobicContact CE-CD1 4.33Å; M234-I245 HydrophobicContact CE-CG1 4.1Å; M234-I245 HydrophobicContact CE-CG2 4.35Å; M234-I245 HydrophobicContact SD-CD1 4.28Å; M234-I245 HydrophobicContact SD-CG2 4.38Å |
| 235 | V | 98.8 | Very high | 98.7 | Very high | 30 Ų | 30 | 33.7 Ų | 33.7 | 18% | 0.182 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65.9 | -50.6 | 178.6 | 173 | 0 | 0 | 0 | 0 | 111 | V231 D232 G239 C240 Y242 I245 | V231-V235 WeakPolarHBondContact O-CG2 3.06Å; V231-V235 PolarHBondContact O-N 2.97Å; D232-V235 PolarHBondContact O-N 3.43Å; V235-G239 WeakPolarHBondContact O-CA 3.46Å; V235-G239 PolarHBondContact O-N 2.9Å; V235-C240 HydrophobicContact CG2-CB 4.3Å; V235-C240 WeakPolarHBondContact CG2-O 3.31Å; V235-Y242 HydrophobicContact CG1-CE2 4.09Å; V235-Y242 HydrophobicContact CG2-CD1 4.06Å; V235-Y242 HydrophobicContact CG2-CD2 4.2Å; V235-Y242 HydrophobicContact CG2-CE1 3.89Å; V235-Y242 HydrophobicContact CG2-CE2 4.05Å; V235-Y242 HydrophobicContact CG2-CG 4.2Å; V235-I245 HydrophobicContact CG2-CD1 4.22Å |
| 236 | T | 98.6 | Very high | 98.7 | Very high | 111 Ų | 111 | 33.9 Ų | 33.9 | 68% | 0.681 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -72.1 | -37.8 | -171.6 | -54.3 | 0 | 0 | 0 | 0 | 112.6 | D232 | D232-T236 WeakPolarHBondContact O-CB 3.3Å; D232-T236 PolarHBondContact O-N 3.43Å; D232-T236 PolarHBondContact O-OG1 2.86Å |
| 237 | N | 98.6 | Very high | 98.7 | Very high | 65 Ų | 65 | 33.9 Ų | 33.9 | 35% | 0.348 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -94 | -24.5 | -174.1 | -62.3 | -92.3 | 0 | 0 | 0 | 113.4 | V171 K174 A233 | V171-N237 HydrophobicContact CG1-CB 4.28Å; K174-N237 PolarHBondContact NZ-OD1 3.48Å; A233-N237 VanDerWaalsContact O-CB 3.3Å; A233-N237 WeakPolarHBondContact O-CB 3.47Å; A233-N237 PolarHBondContact O-N 3.48Å; A233-N237 PolarHBondContact O-ND2 3.34Å |
| 238 | F | 98.6 | Very high | 98.7 | Very high | 39 Ų | 39 | 33.9 Ų | 33.9 | 17% | 0.171 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -125.5 | -0.2 | -175.1 | -53.1 | -85.3 | 0 | 0 | 0 | 113.8 | V171 V184 D186 V211 M234 C240 | V171-F238 HydrophobicContact CG1-CE2 3.92Å; V171-F238 HydrophobicContact CG1-CZ 3.67Å; V184-F238 HydrophobicContact CB-CE2 4.19Å; V184-F238 HydrophobicContact CG2-CE2 3.81Å; D186-F238 HydrophobicContact CB-CD1 3.91Å; D186-F238 HydrophobicContact CB-CE1 3.95Å; D186-F238 WeakPolarHBondContact OD1-CE1 3.26Å; V211-F238 HydrophobicContact CB-CB 4.46Å; V211-F238 HydrophobicContact CG1-CB 4.25Å; V211-F238 HydrophobicContact CG1-CD2 3.7Å; V211-F238 HydrophobicContact CG1-CE2 4.16Å; V211-F238 HydrophobicContact CG1-CG 3.93Å; V211-F238 HydrophobicContact CG2-CB 3.44Å; V211-F238 VanDerWaalsContact CG2-CB 3.44Å; V211-F238 HydrophobicContact CG2-CD1 4.14Å; V211-F238 HydrophobicContact CG2-CD2 4.37Å; V211-F238 HydrophobicContact CG2-CG 3.75Å; M234-F238 WeakPolarHBondContact O-CB 3.32Å; M234-F238 PolarHBondContact O-N 3.23Å; M234-F238 VanDerWaalsContact O-N 3.15Å; F238-C240 VanDerWaalsContact C-N 3.27Å; F238-C240 PolarHBondContact O-N 3.4Å |
| 239 | G | 98.6 | Very high | 98.7 | Very high | 41 Ų | 41 | 32.9 Ų | 32.9 | 42% | 0.423 | 18% | 0.183 | S | C | . | . | trans | 69.3 | 24.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | K209 V235 | K209-G239 WeakPolarHBondContact CE-O 3.38Å; V235-G239 WeakPolarHBondContact O-CA 3.46Å; V235-G239 PolarHBondContact O-N 2.9Å | ||
| 240 | C | 98.8 | Very high | 98.6 | Very high | 5 Ų | 5 | 31.6 Ų | 31.6 | 3% | 0.034 | 17% | 0.173 | C | C | . | . | trans | -57.5 | 158.8 | 170.8 | -59 | 0 | 0 | 0 | 0 | 110.7 | D206 M234 V235 F238 I245 | D206-C240 HydrophobicContact CB-CB 4.3Å; D206-C240 VanDerWaalsContact OD2-CA 3.3Å; D206-C240 WeakPolarHBondContact OD2-CA 3.17Å; D206-C240 WeakPolarHBondContact OD2-CB 3.33Å; D206-C240 PolarHBondContact OD2-SG 3.31Å; D206-C240 VanDerWaalsContact OD2-SG 3.41Å; M234-C240 HydrophobicContact CB-CB 4.14Å; M234-C240 PolarHBondContact O-N 3.4Å; M234-C240 PolarHBondContact O-SG 2.92Å; V235-C240 HydrophobicContact CG2-CB 4.3Å; V235-C240 WeakPolarHBondContact CG2-O 3.31Å; F238-C240 VanDerWaalsContact C-N 3.27Å; F238-C240 PolarHBondContact O-N 3.4Å; C240-I245 HydrophobicContact CB-CD1 3.99Å; C240-I245 HydrophobicContact CB-CG1 4.26Å | ||
| 241 | R | 98.8 | Very high | 98.6 | Very high | 177 Ų | 177 | 31.7 Ų | 31.7 | 67% | 0.668 | 17% | 0.173 | S | C | * | . | trans | -109 | 137.8 | 169.4 | -62.4 | 179.4 | 174.5 | 175.5 | -1.5 | 108.9 | G243 D244 I245 | R241-G243 PolarHBondContact O-N 3.46Å; R241-G243 VanDerWaalsContact O-N 3.14Å; R241-D244 HydrophobicContact CB-CB 4.27Å; R241-D244 WeakPolarHBondContact CB-OD2 3.38Å; R241-D244 WeakPolarHBondContact CD-OD2 3.17Å; R241-D244 PolarHBondContact O-N 2.81Å; R241-I245 PolarHBondContact O-N 2.57Å | ||
| 242 | Y | 98.5 | Very high | 98.5 | Very high | 60 Ų | 60 | 31.8 Ų | 31.8 | 24% | 0.235 | 17% | 0.174 | C | C | . | . | G | 310 helix | trans | -50.1 | -42.4 | 177.7 | -63.4 | -82.2 | 0 | 0 | 0 | 112.6 | V231 D232 V235 D244 I245 R299 G300 | V231-Y242 HydrophobicContact CG1-CD1 3.36Å; V231-Y242 HydrophobicContact CG1-CE1 3.62Å; D232-Y242 WeakPolarHBondContact OD1-CE1 3.02Å; D232-Y242 PolarHBondContact OD1-OH 3.34Å; V235-Y242 HydrophobicContact CG1-CE2 4.09Å; V235-Y242 HydrophobicContact CG2-CD1 4.06Å; V235-Y242 HydrophobicContact CG2-CD2 4.2Å; V235-Y242 HydrophobicContact CG2-CE1 3.89Å; V235-Y242 HydrophobicContact CG2-CE2 4.05Å; V235-Y242 HydrophobicContact CG2-CG 4.2Å; Y242-D244 VanDerWaalsContact C-N 3.31Å; Y242-D244 PolarHBondContact O-N 3.3Å; Y242-I245 PolarHBondContact O-N 3.09Å; Y242-R299 HydrophobicContact CD1-CG 4.18Å; Y242-R299 VanDerWaalsContact CD1-O 3.27Å; Y242-R299 WeakPolarHBondContact CD1-O 3.16Å; Y242-R299 HydrophobicContact CE1-CG 3.76Å; Y242-R299 PolarHBondContact OH-NH2 2.96Å; Y242-G300 CarbonylContact C-O 3.53Å; Y242-G300 WeakPolarHBondContact CB-O 3.49Å |
| 243 | G | 98 | Very high | 98.5 | Very high | 23 Ų | 23 | 29.9 Ų | 29.9 | 24% | 0.237 | 16% | 0.164 | C | C | . | . | G | 310 helix | trans | -72.3 | -16.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | R241 H305 | R241-G243 PolarHBondContact O-N 3.46Å; R241-G243 VanDerWaalsContact O-N 3.14Å; G243-H305 PolarHBondContact O-CE1 3.43Å; G243-H305 PolarHBondContact O-ND1 2.66Å |
| 244 | D | 98.5 | Very high | 98.4 | Very high | 50 Ų | 50 | 30.3 Ų | 30.3 | 27% | 0.267 | 17% | 0.169 | S | C | . | . | G | 310 helix | trans | -91.8 | -16.6 | 177.9 | -64.6 | -24.5 | 0 | 0 | 0 | 111.8 | P207 V208 R241 Y242 V246 | P207-D244 VanDerWaalsContact CD-O 3.24Å; P207-D244 WeakPolarHBondContact CD-O 3.28Å; V208-D244 HydrophobicContact CG2-CB 4.22Å; R241-D244 HydrophobicContact CB-CB 4.27Å; R241-D244 WeakPolarHBondContact CB-OD2 3.38Å; R241-D244 WeakPolarHBondContact CD-OD2 3.17Å; R241-D244 PolarHBondContact O-N 2.81Å; Y242-D244 VanDerWaalsContact C-N 3.31Å; Y242-D244 PolarHBondContact O-N 3.3Å; D244-V246 PolarHBondContact O-N 2.73Å |
| 245 | I | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | trans | -77.2 | 123.8 | -177.6 | -65.4 | 164.1 | 0 | 0 | 0 | 109.9 | F204 A205 D206 V231 M234 V235 C240 R241 Y242 V247 H305 | F204-I245 HydrophobicContact CB-CG2 4.46Å; F204-I245 HydrophobicContact CD1-CG2 4.42Å; A205-I245 WeakPolarHBondContact O-CA 3.47Å; D206-I245 HydrophobicContact CB-CG1 4.15Å; V231-I245 HydrophobicContact CG1-CD1 3.78Å; M234-I245 HydrophobicContact CB-CD1 4.16Å; M234-I245 HydrophobicContact CE-CD1 4.33Å; M234-I245 HydrophobicContact CE-CG1 4.1Å; M234-I245 HydrophobicContact CE-CG2 4.35Å; M234-I245 HydrophobicContact SD-CD1 4.28Å; M234-I245 HydrophobicContact SD-CG2 4.38Å; V235-I245 HydrophobicContact CG2-CD1 4.22Å; C240-I245 HydrophobicContact CB-CD1 3.99Å; C240-I245 HydrophobicContact CB-CG1 4.26Å; R241-I245 PolarHBondContact O-N 2.57Å; Y242-I245 PolarHBondContact O-N 3.09Å; I245-V247 HydrophobicContact CG2-CG2 4.11Å; I245-H305 WeakPolarHBondContact O-CB 3.38Å | ||
| 246 | V | 98.7 | Very high | 98.2 | Very high | 10 Ų | 10 | 34.9 Ų | 34.9 | 6% | 0.061 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 142.2 | 167.2 | -60 | 0 | 0 | 0 | 0 | 110.6 | L100 I101 F204 A205 D244 H305 | L100-V246 HydrophobicContact CB-CB 4.41Å; I101-V246 HydrophobicContact CG1-CG2 4.37Å; F204-V246 WeakPolarHBondContact CA-O 3.44Å; A205-V246 HydrophobicContact CB-CG2 3.92Å; A205-V246 PolarHBondContact N-O 2.89Å; A205-V246 WeakPolarHBondContact O-CG2 3.34Å; A205-V246 PolarHBondContact O-N 3.46Å; D244-V246 PolarHBondContact O-N 2.73Å; V246-H305 CarbonylContact C-O 3.58Å; V246-H305 WeakPolarHBondContact CA-O 3.49Å; V246-H305 HydrophobicContact CG1-CB 4.21Å |
| 247 | V | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 133.4 | -177.6 | -173.4 | 0 | 0 | 0 | 0 | 109.2 | I202 L203 F204 I245 V249 L296 V301 H305 I306 H307 | I202-V247 HydrophobicContact CG2-CG1 3.4Å; L203-V247 CarbonylContact O-C 3.49Å; L203-V247 WeakPolarHBondContact O-CA 3.46Å; F204-V247 HydrophobicContact CD1-CB 4.45Å; F204-V247 HydrophobicContact CD1-CG1 4.12Å; F204-V247 HydrophobicContact CD1-CG2 3.64Å; F204-V247 HydrophobicContact CE1-CG1 3.92Å; F204-V247 HydrophobicContact CE1-CG2 3.92Å; F204-V247 HydrophobicContact CZ-CG1 4.43Å; I245-V247 HydrophobicContact CG2-CG2 4.11Å; V247-V249 HydrophobicContact CG1-CG2 4.49Å; V247-L296 HydrophobicContact CG1-CD1 3.95Å; V247-L296 HydrophobicContact CG2-CD1 4.47Å; V247-V301 HydrophobicContact CG2-CG1 3.97Å; V247-H305 PolarHBondContact N-O 2.83Å; V247-I306 HydrophobicContact CB-CG1 4.41Å; V247-H307 PolarHBondContact O-N 2.99Å |
| 248 | A | 98.4 | Very high | 98.2 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 128.4 | 170 | 0 | 0 | 0 | 0 | 0 | 109.7 | S98 I101 F109 L203 | S98-A248 VanDerWaalsContact CB-CB 3.46Å; I101-A248 HydrophobicContact CD1-CB 3.69Å; I101-A248 HydrophobicContact CG1-CB 4.25Å; F109-A248 HydrophobicContact CE2-CB 4.16Å; F109-A248 HydrophobicContact CZ-CB 4.04Å; L203-A248 HydrophobicContact CB-CB 4.49Å; L203-A248 PolarHBondContact N-O 2.89Å; L203-A248 PolarHBondContact O-N 2.86Å |
| 249 | V | 98.3 | Very high | 98.1 | Very high | 2 Ų | 2 | 29.1 Ų | 29.1 | 1% | 0.012 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 121.1 | 177.8 | -171.5 | 0 | 0 | 0 | 0 | 109.4 | L200 I202 V247 L289 H307 D308 T318 | L200-V249 HydrophobicContact CB-CG1 4.19Å; L200-V249 HydrophobicContact CD2-CG1 3.67Å; L200-V249 HydrophobicContact CG-CG1 4.21Å; I202-V249 HydrophobicContact CG1-CG1 4.37Å; I202-V249 HydrophobicContact CG2-CG2 4.33Å; V247-V249 HydrophobicContact CG1-CG2 4.49Å; V249-L289 HydrophobicContact CB-CD1 4.03Å; V249-L289 HydrophobicContact CG1-CD1 3.53Å; V249-L289 HydrophobicContact CG2-CD1 4.36Å; V249-H307 PolarHBondContact N-O 3.18Å; V249-D308 HydrophobicContact CB-CB 4.19Å; V249-D308 HydrophobicContact CG2-CB 4.25Å; V249-T318 HydrophobicContact CG1-CG2 4.05Å; V249-T318 PolarHBondContact O-OG1 3.5Å |
| 250 | G | 97.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.15 | C | C | . | . | trans | -83 | -178 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | F109 P201 S252 V317 T318 | F109-G250 VanDerWaalsContact CD1-CA 3.4Å; P201-G250 PolarHBondContact O-N 2.94Å; G250-S252 PolarHBondContact O-N 3.12Å; G250-V317 CarbonylContact C-O 3.59Å; G250-V317 WeakPolarHBondContact CA-O 3.28Å; G250-T318 WeakPolarHBondContact O-CG2 3.22Å | ||
| 251 | P | 98 | Very high | 97.9 | Very high | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.006 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -51.1 | 127.8 | 175.8 | -24.3 | 33.1 | 0 | 0 | 0 | 112.1 | L96 F109 P201 V317 P319 T321 F328 | L96-P251 HydrophobicContact CD1-CG 3.77Å; F109-P251 HydrophobicContact CB-CG 4.29Å; P201-P251 WeakPolarHBondContact CD-O 3.43Å; P251-V317 VanDerWaalsContact CD-O 3.28Å; P251-V317 WeakPolarHBondContact CD-O 3.38Å; P251-P319 HydrophobicContact CB-CG 4.14Å; P251-P319 HydrophobicContact CG-CG 4.1Å; P251-T321 HydrophobicContact CB-CG2 3.77Å; P251-F328 HydrophobicContact CB-CD1 3.76Å; P251-F328 HydrophobicContact CB-CD2 4.46Å; P251-F328 HydrophobicContact CB-CE1 3.59Å; P251-F328 HydrophobicContact CB-CE2 4.32Å; P251-F328 HydrophobicContact CB-CG 4.22Å; P251-F328 HydrophobicContact CB-CZ 3.9Å; P251-F328 HydrophobicContact CG-CD1 4.01Å; P251-F328 HydrophobicContact CG-CE1 3.34Å; P251-F328 HydrophobicContact CG-CE2 4.48Å; P251-F328 HydrophobicContact CG-CZ 3.63Å |
| 252 | S | 98 | Very high | 97.7 | Very high | 2 Ų | 2 | 28.1 Ų | 28.1 | 1% | 0.014 | 16% | 0.158 | C | C | . | . | B | Isolated β-bridge | trans | -150.4 | 174 | -178 | 52.3 | 0 | 0 | 0 | 0 | 110 | D198 G250 G254 T318 P319 C320 T321 | D198-S252 CarbonylContact O-C 3.33Å; D198-S252 WeakPolarHBondContact O-CA 3.16Å; D198-S252 VanDerWaalsContact O-CB 3.28Å; D198-S252 WeakPolarHBondContact O-CB 3.33Å; G250-S252 PolarHBondContact O-N 3.12Å; S252-G254 PolarHBondContact O-N 2.87Å; S252-T318 WeakPolarHBondContact OG-CG2 3.48Å; S252-P319 PolarHBondContact N-O 3.34Å; S252-C320 CarbonylContact O-C 3.54Å; S252-C320 WeakPolarHBondContact O-CA 3.29Å; S252-T321 PolarHBondContact O-N 3.02Å; S252-T321 PolarHBondContact O-OG1 3.17Å |
| 253 | V | 97.9 | Very high | 97.5 | Very high | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.006 | 19% | 0.185 | C | C | . | . | trans | -73.1 | 130.3 | 176.1 | 65.1 | 0 | 0 | 0 | 0 | 109.5 | D198 C257 F258 I288 T321 V332 | D198-V253 HydrophobicContact CB-CB 3.64Å; D198-V253 HydrophobicContact CB-CG1 3.73Å; D198-V253 PolarHBondContact O-N 3.45Å; V253-C257 HydrophobicContact CG2-CB 3.66Å; V253-F258 HydrophobicContact CB-CB 4.33Å; V253-F258 HydrophobicContact CG1-CB 3.65Å; V253-F258 HydrophobicContact CG1-CD2 3.67Å; V253-F258 HydrophobicContact CG1-CE2 4.49Å; V253-F258 HydrophobicContact CG1-CG 3.69Å; V253-F258 HydrophobicContact CG2-CB 3.79Å; V253-I288 HydrophobicContact CG1-CD1 3.56Å; V253-T321 PolarHBondContact N-OG1 3.36Å; V253-V332 HydrophobicContact CG2-CG2 4.33Å | ||
| 254 | G | 96.8 | Very high | 97.3 | Very high | 19 Ų | 19 | 34.9 Ų | 34.9 | 20% | 0.196 | 19% | 0.185 | C | C | . | . | trans | -83 | 164 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | S252 C256 C257 F258 C320 | S252-G254 PolarHBondContact O-N 2.87Å; G254-C256 PolarHBondContact O-N 2.88Å; G254-C257 PolarHBondContact O-N 3.35Å; G254-F258 PolarHBondContact O-N 2.54Å; G254-C320 PolarHBondContact N-SG 3.42Å | ||
| 255 | V | 97.3 | Very high | 97.2 | Very high | 47 Ų | 47 | 32.6 Ų | 32.6 | 29% | 0.285 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | -26.1 | 171.9 | 67.4 | 0 | 0 | 0 | 0 | 112.6 | C257 P277 H285 D287 | V255-C257 PolarHBondContact O-N 2.85Å; V255-P277 HydrophobicContact CG2-CG 3.85Å; V255-H285 HydrophobicContact CG2-CB 3.94Å; V255-H285 WeakPolarHBondContact O-CB 3.38Å; V255-H285 PolarHBondContact O-CD2 3.29Å; V255-D287 HydrophobicContact CB-CB 3.88Å; V255-D287 HydrophobicContact CG2-CB 3.96Å |
| 256 | C | 96.9 | Very high | 97.1 | Very high | 79 Ų | 79 | 34.6 Ų | 34.6 | 53% | 0.534 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -14.5 | 175.1 | 57.2 | 0 | 0 | 0 | 0 | 115.1 | G254 C323 | G254-C256 PolarHBondContact O-N 2.88Å; C256-C323 VanDerWaalsContact SG-SG 3.65Å |
| 257 | C | 97.9 | Very high | 97 | Very high | 35 Ų | 35 | 37.7 Ų | 37.7 | 24% | 0.236 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -132.8 | -22.8 | -176.5 | -69 | 0 | 0 | 0 | 0 | 113.7 | V253 G254 V255 C323 | V253-C257 HydrophobicContact CG2-CB 3.66Å; G254-C257 PolarHBondContact O-N 3.35Å; V255-C257 PolarHBondContact O-N 2.85Å; C257-C323 PolarHBondContact SG-SG 2.84Å |
| 258 | F | 98.1 | Very high | 97 | Very high | 23 Ų | 23 | 37.7 Ų | 37.7 | 10% | 0.101 | 21% | 0.206 | C | C | . | . | trans | -89.5 | 119.9 | -174.4 | -168.5 | -121.6 | 0 | 0 | 0 | 111.5 | W219 V253 G254 L260 H285 V286 I288 V332 | W219-F258 HydrophobicContact CB-CE1 3.99Å; W219-F258 HydrophobicContact CB-CZ 3.8Å; W219-F258 HydrophobicContact CG-CZ 4.15Å; V253-F258 HydrophobicContact CB-CB 4.33Å; V253-F258 HydrophobicContact CG1-CB 3.65Å; V253-F258 HydrophobicContact CG1-CD2 3.67Å; V253-F258 HydrophobicContact CG1-CE2 4.49Å; V253-F258 HydrophobicContact CG1-CG 3.69Å; V253-F258 HydrophobicContact CG2-CB 3.79Å; G254-F258 PolarHBondContact O-N 2.54Å; F258-L260 HydrophobicContact CE1-CD1 4Å; F258-L260 HydrophobicContact CE1-CD2 4.08Å; F258-L260 HydrophobicContact CE1-CG 3.83Å; F258-L260 HydrophobicContact CE2-CD2 4.26Å; F258-L260 HydrophobicContact CZ-CD1 4.25Å; F258-L260 HydrophobicContact CZ-CD2 3.58Å; F258-L260 HydrophobicContact CZ-CG 3.87Å; F258-H285 CarbonylContact O-C 3.35Å; F258-H285 VanDerWaalsContact O-CA 3.27Å; F258-H285 WeakPolarHBondContact O-CA 3.46Å; F258-V286 HydrophobicContact CD1-CB 3.84Å; F258-V286 HydrophobicContact CD1-CG1 4.29Å; F258-V286 HydrophobicContact CE1-CB 4.13Å; F258-V286 HydrophobicContact CE1-CG1 4.29Å; F258-V286 PolarHBondContact O-N 3.34Å; F258-I288 HydrophobicContact CD1-CD1 4.36Å; F258-I288 HydrophobicContact CD1-CG2 3.63Å; F258-I288 HydrophobicContact CE1-CG2 3.46Å; F258-I288 VanDerWaalsContact CE1-CG2 3.46Å; F258-I288 HydrophobicContact CZ-CG2 4.5Å; F258-V332 HydrophobicContact CD2-CG2 4.35Å | ||
| 259 | T | 98.1 | Very high | 96.9 | Very high | 36 Ų | 36 | 41 Ų | 41 | 22% | 0.221 | 22% | 0.223 | C | C | . | . | B | Isolated β-bridge | trans | -124.8 | 149 | 174.5 | 57.6 | 0 | 0 | 0 | 0 | 110.8 | R283 P284 | T259-R283 PolarHBondContact O-NH2 3.01Å; T259-R283 PolarHBondContact OG1-NH2 3.16Å; T259-P284 WeakPolarHBondContact CA-O 3.41Å; T259-P284 WeakPolarHBondContact CB-O 3.31Å |
| 260 | L | 96.9 | Very high | 96.8 | Very high | 8 Ų | 8 | 45.8 Ų | 45.8 | 4% | 0.042 | 26% | 0.257 | C | S | . | . | trans | -124.8 | 169.4 | 172.4 | -70.3 | -177.9 | 0 | 0 | 0 | 110.2 | W219 F258 Q264 F268 R283 P284 V286 | W219-L260 HydrophobicContact CB-CD1 4.24Å; W219-L260 HydrophobicContact CD2-CD1 4.11Å; W219-L260 HydrophobicContact CD2-CD2 4.3Å; W219-L260 HydrophobicContact CE3-CD1 4.06Å; W219-L260 HydrophobicContact CG-CD1 4.24Å; W219-L260 HydrophobicContact CG-CD2 4.28Å; F258-L260 HydrophobicContact CE1-CD1 4Å; F258-L260 HydrophobicContact CE1-CD2 4.08Å; F258-L260 HydrophobicContact CE1-CG 3.83Å; F258-L260 HydrophobicContact CE2-CD2 4.26Å; F258-L260 HydrophobicContact CZ-CD1 4.25Å; F258-L260 HydrophobicContact CZ-CD2 3.58Å; F258-L260 HydrophobicContact CZ-CG 3.87Å; L260-Q264 HydrophobicContact CB-CB 4.03Å; L260-Q264 HydrophobicContact CD1-CB 4.07Å; L260-F268 HydrophobicContact CD1-CD2 4.26Å; L260-F268 HydrophobicContact CD1-CE2 3.81Å; L260-R283 CarbonylContact O-C 3.47Å; L260-R283 VanDerWaalsContact O-CA 3.31Å; L260-R283 WeakPolarHBondContact O-CA 3.47Å; L260-P284 PolarHBondContact N-O 3.33Å; L260-P284 VanDerWaalsContact N-O 3.08Å; L260-P284 WeakPolarHBondContact O-CD 3.42Å; L260-V286 HydrophobicContact CB-CG2 4.07Å; L260-V286 HydrophobicContact CD1-CG1 4.47Å; L260-V286 HydrophobicContact CD1-CG2 4.04Å; L260-V286 HydrophobicContact CG-CG2 4.07Å | ||
| 261 | D | 96.1 | Very high | 96.8 | Very high | 77 Ų | 77 | 46.5 Ų | 46.5 | 41% | 0.412 | 26% | 0.26 | S | S | . | . | trans | -69.7 | 149.6 | 166.7 | -59.6 | -34 | 0 | 0 | 0 | 109.2 | E263 Q264 A265 R283 | D261-E263 PolarHBondContact O-N 3.2Å; D261-E263 VanDerWaalsContact O-N 3.12Å; D261-Q264 WeakPolarHBondContact O-CB 3.12Å; D261-Q264 PolarHBondContact O-N 3.07Å; D261-A265 PolarHBondContact O-N 3.41Å; D261-R283 WeakPolarHBondContact OD1-CD 3.21Å; D261-R283 IonicContact OD1-CZ 2.8Å; D261-R283 IonicContact OD1-NE 3.1Å; D261-R283 IonicContact OD1-NH1 3.28Å; D261-R283 PolarHBondContact OD1-NH1 3.34Å; D261-R283 IonicContact OD2-NH1 2.69Å | ||
| 262 | R | 94.1 | Very high | 96.8 | Very high | 118 Ų | 118 | 49.1 Ų | 49.1 | 45% | 0.445 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -53.1 | -39.5 | -172.9 | -173.7 | 179.7 | -67.3 | -172.8 | -0.5 | 113.9 | Q264 A265 A266 E280 S281 P284 | R262-Q264 PolarHBondContact O-N 2.9Å; R262-A265 PolarHBondContact O-N 2.96Å; R262-A266 PolarHBondContact O-N 2.84Å; R262-A266 VanDerWaalsContact O-N 3.14Å; R262-E280 PolarHBondContact NH2-O 2.91Å; R262-S281 PolarHBondContact NE-O 2.86Å; R262-S281 VanDerWaalsContact NH2-C 3.27Å; R262-S281 PolarHBondContact NH2-O 3.25Å; R262-P284 HydrophobicContact CB-CG 4.44Å |
| 263 | E | 93.3 | Very high | 96.8 | Very high | 172 Ų | 172 | 52.9 Ų | 52.9 | 80% | 0.804 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -61.3 | -43.5 | 177.6 | -174.5 | 178.5 | -171.6 | 0 | 0 | 111.7 | D261 A266 | D261-E263 PolarHBondContact O-N 3.2Å; D261-E263 VanDerWaalsContact O-N 3.12Å; E263-A266 WeakPolarHBondContact O-CB 3.47Å; E263-A266 PolarHBondContact O-N 2.61Å |
| 264 | Q | 95 | Very high | 96.7 | Very high | 53 Ų | 53 | 58 Ų | 58 | 25% | 0.248 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -71.7 | -33.2 | 178.5 | -63.3 | 163.2 | -8.7 | 0 | 0 | 111.8 | W219 L260 D261 R262 A266 | W219-Q264 HydrophobicContact CH2-CB 4.23Å; W219-Q264 HydrophobicContact CH2-CG 3.81Å; W219-Q264 HydrophobicContact CZ2-CG 4.5Å; W219-Q264 HydrophobicContact CZ3-CB 4.14Å; W219-Q264 HydrophobicContact CZ3-CG 4.2Å; L260-Q264 HydrophobicContact CB-CB 4.03Å; L260-Q264 HydrophobicContact CD1-CB 4.07Å; D261-Q264 WeakPolarHBondContact O-CB 3.12Å; D261-Q264 PolarHBondContact O-N 3.07Å; R262-Q264 PolarHBondContact O-N 2.9Å; Q264-A266 VanDerWaalsContact C-N 3.27Å; Q264-A266 PolarHBondContact O-N 3.48Å |
| 265 | A | 97 | Very high | 96.8 | Very high | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.008 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -67.5 | -27.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | D261 R262 D267 F268 I269 V276 P284 V286 | D261-A265 PolarHBondContact O-N 3.41Å; R262-A265 PolarHBondContact O-N 2.96Å; A265-D267 PolarHBondContact O-N 3.27Å; A265-F268 WeakPolarHBondContact O-CB 3.45Å; A265-F268 PolarHBondContact O-N 3.46Å; A265-I269 PolarHBondContact O-N 2.85Å; A265-V276 HydrophobicContact CB-CG1 4.34Å; A265-V276 HydrophobicContact CB-CG2 4.27Å; A265-V276 WeakPolarHBondContact O-CG2 3.33Å; A265-P284 HydrophobicContact CB-CB 3.99Å; A265-P284 HydrophobicContact CB-CG 4.02Å; A265-V286 HydrophobicContact CB-CG2 3.93Å |
| 266 | A | 95.7 | Very high | 96.9 | Very high | 43 Ų | 43 | 55 Ų | 55 | 36% | 0.355 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -61.4 | -31.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | R262 E263 Q264 F268 I269 S270 | R262-A266 PolarHBondContact O-N 2.84Å; R262-A266 VanDerWaalsContact O-N 3.14Å; E263-A266 WeakPolarHBondContact O-CB 3.47Å; E263-A266 PolarHBondContact O-N 2.61Å; Q264-A266 VanDerWaalsContact C-N 3.27Å; Q264-A266 PolarHBondContact O-N 3.48Å; A266-F268 PolarHBondContact O-N 3.31Å; A266-I269 PolarHBondContact O-N 3.02Å; A266-S270 PolarHBondContact O-N 2.97Å; A266-S270 PolarHBondContact O-OG 3.06Å |
| 267 | D | 96.5 | Very high | 96.9 | Very high | 75 Ų | 75 | 55.3 Ų | 55.3 | 40% | 0.401 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -60.3 | -35.4 | 174 | -68.5 | -25.5 | 0 | 0 | 0 | 111.5 | V223 A265 S270 I271 | V223-D267 HydrophobicContact CG1-CB 3.88Å; V223-D267 HydrophobicContact CG2-CB 3.81Å; A265-D267 PolarHBondContact O-N 3.27Å; D267-S270 WeakPolarHBondContact O-CB 3.47Å; D267-S270 PolarHBondContact O-N 3Å; D267-I271 PolarHBondContact O-N 2.94Å |
| 268 | F | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -75.3 | -34.4 | 178.9 | -74.5 | -94.3 | 0 | 0 | 0 | 112.9 | W219 T222 V223 L260 A265 A266 S270 I271 H272 C275 V276 V286 I288 A291 | W219-F268 HydrophobicContact CB-CE2 4.27Å; W219-F268 HydrophobicContact CB-CZ 3.96Å; W219-F268 HydrophobicContact CE3-CE2 4.36Å; T222-F268 HydrophobicContact CG2-CE1 3.88Å; T222-F268 HydrophobicContact CG2-CZ 4.39Å; V223-F268 HydrophobicContact CG2-CD2 4.04Å; V223-F268 HydrophobicContact CG2-CE1 4.42Å; V223-F268 HydrophobicContact CG2-CE2 3.52Å; V223-F268 HydrophobicContact CG2-CZ 3.73Å; L260-F268 HydrophobicContact CD1-CD2 4.26Å; L260-F268 HydrophobicContact CD1-CE2 3.81Å; A265-F268 WeakPolarHBondContact O-CB 3.45Å; A265-F268 PolarHBondContact O-N 3.46Å; A266-F268 PolarHBondContact O-N 3.31Å; F268-S270 PolarHBondContact O-N 3Å; F268-I271 HydrophobicContact CD1-CD1 4.37Å; F268-I271 WeakPolarHBondContact O-CA 2.92Å; F268-I271 WeakPolarHBondContact O-CB 3.12Å; F268-I271 PolarHBondContact O-N 3.41Å; F268-H272 PolarHBondContact O-N 3.35Å; F268-H272 VanDerWaalsContact O-O 3.07Å; F268-C275 HydrophobicContact CB-CB 3.97Å; F268-V276 HydrophobicContact CB-CG2 3.8Å; F268-V286 HydrophobicContact CB-CG1 4.06Å; F268-V286 HydrophobicContact CD1-CG1 3.44Å; F268-V286 VanDerWaalsContact CD1-CG1 3.44Å; F268-V286 HydrophobicContact CD2-CG1 3.63Å; F268-V286 HydrophobicContact CE1-CG1 3.71Å; F268-V286 HydrophobicContact CE2-CG1 3.88Å; F268-V286 HydrophobicContact CG-CG1 3.41Å; F268-V286 VanDerWaalsContact CG-CG1 3.41Å; F268-V286 HydrophobicContact CZ-CG1 3.92Å; F268-I288 HydrophobicContact CE1-CB 4.47Å; F268-I288 HydrophobicContact CE1-CG2 3.8Å; F268-I288 HydrophobicContact CZ-CG2 3.92Å; F268-A291 HydrophobicContact CD1-CB 3.64Å; F268-A291 HydrophobicContact CE1-CB 3.78Å |
| 269 | I | 97.1 | Very high | 96.8 | Very high | 70 Ų | 70 | 57.3 Ų | 57.3 | 36% | 0.359 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -60.1 | -39.3 | 172.7 | -61.3 | 174.4 | 0 | 0 | 0 | 110.2 | A265 A266 I271 H272 V276 P279 | A265-I269 PolarHBondContact O-N 2.85Å; A266-I269 PolarHBondContact O-N 3.02Å; I269-I271 PolarHBondContact O-N 3.4Å; I269-H272 CarbonylContact O-C 3.51Å; I269-H272 PolarHBondContact O-N 2.98Å; I269-V276 HydrophobicContact CD1-CB 4.3Å; I269-V276 HydrophobicContact CD1-CG1 4.48Å; I269-V276 HydrophobicContact CD1-CG2 4.42Å; I269-V276 HydrophobicContact CG1-CB 3.77Å; I269-V276 HydrophobicContact CG1-CG1 4.45Å; I269-V276 HydrophobicContact CG1-CG2 3.62Å; I269-P279 HydrophobicContact CD1-CB 3.9Å |
| 270 | S | 95.8 | Very high | 96.7 | Very high | 102 Ų | 102 | 63 Ų | 63 | 71% | 0.713 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -65.1 | -26.9 | 176.9 | -57.7 | 0 | 0 | 0 | 0 | 112.6 | A266 D267 F268 | A266-S270 PolarHBondContact O-N 2.97Å; A266-S270 PolarHBondContact O-OG 3.06Å; D267-S270 WeakPolarHBondContact O-CB 3.47Å; D267-S270 PolarHBondContact O-N 3Å; F268-S270 PolarHBondContact O-N 3Å |
| 271 | I | 97.8 | Very high | 96.6 | Very high | 15 Ų | 15 | 64.4 Ų | 64.4 | 8% | 0.077 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -73.6 | -58.8 | 169.6 | -60.8 | 168 | 0 | 0 | 0 | 109.1 | D267 F268 I269 A291 V294 L295 R298 | D267-I271 PolarHBondContact O-N 2.94Å; F268-I271 HydrophobicContact CD1-CD1 4.37Å; F268-I271 WeakPolarHBondContact O-CA 2.92Å; F268-I271 WeakPolarHBondContact O-CB 3.12Å; F268-I271 PolarHBondContact O-N 3.41Å; I269-I271 PolarHBondContact O-N 3.4Å; I271-A291 HydrophobicContact CD1-CB 4.09Å; I271-A291 HydrophobicContact CG2-CB 4.33Å; I271-V294 HydrophobicContact CG2-CB 4.26Å; I271-V294 HydrophobicContact CG2-CG1 4.02Å; I271-L295 HydrophobicContact CD1-CD1 4.07Å; I271-L295 HydrophobicContact CG1-CD2 4.45Å; I271-L295 HydrophobicContact CG2-CD2 4.1Å; I271-L295 HydrophobicContact CG2-CG 3.95Å; I271-R298 PolarHBondContact O-NH1 3.29Å; I271-R298 PolarHBondContact O-NH2 3.2Å |
| 272 | H | 98.1 | Very high | 96.4 | Very high | 55 Ų | 55 | 64.6 Ų | 64.6 | 26% | 0.255 | 36% | 0.362 | S | S | . | . | trans | -157.7 | 137.3 | 176.5 | -168.1 | -84.5 | 0 | 0 | 0 | 109.8 | F268 I269 D274 C275 V294 | F268-H272 PolarHBondContact O-N 3.35Å; F268-H272 VanDerWaalsContact O-O 3.07Å; I269-H272 CarbonylContact O-C 3.51Å; I269-H272 PolarHBondContact O-N 2.98Å; H272-D274 VanDerWaalsContact C-N 3.3Å; H272-D274 IonicContact CE1-OD2 3.96Å; H272-D274 PolarHBondContact CE1-OD2 2.89Å; H272-D274 VanDerWaalsContact CE1-OD2 3.3Å; H272-D274 WeakPolarHBondContact ND1-CB 3.36Å; H272-D274 PolarHBondContact ND1-N 3.5Å; H272-D274 VanDerWaalsContact ND1-N 3.15Å; H272-D274 IonicContact ND1-OD2 2.75Å; H272-D274 PolarHBondContact O-N 2.85Å; H272-C275 VanDerWaalsContact O-CB 3.22Å; H272-C275 WeakPolarHBondContact O-CB 3.38Å; H272-C275 PolarHBondContact O-N 3.37Å; H272-V294 HydrophobicContact CB-CG1 4.38Å; H272-V294 HydrophobicContact CB-CG2 4.15Å | ||
| 273 | P | 97.3 | Very high | 96.5 | Very high | 82 Ų | 82 | 64 Ų | 64 | 53% | 0.532 | 36% | 0.36 | S | S | . | . | G | 310 helix | trans | -57.2 | -41.5 | -178.1 | 21.4 | -33.1 | 0 | 0 | 0 | 112.8 | C275 V276 | P273-C275 PolarHBondContact O-N 3.37Å; P273-C275 VanDerWaalsContact O-N 3.08Å; P273-V276 PolarHBondContact O-N 2.99Å; P273-V276 VanDerWaalsContact O-N 3.08Å |
| 274 | D | 97.6 | Very high | 96.7 | Very high | 107 Ų | 107 | 55.9 Ų | 55.9 | 57% | 0.572 | 32% | 0.322 | S | S | * | . | G | 310 helix | trans | -67.5 | -9.3 | 179.7 | -57.3 | -9.4 | 0 | 0 | 0 | 114 | H272 V276 L290 | H272-D274 VanDerWaalsContact C-N 3.3Å; H272-D274 IonicContact CE1-OD2 3.96Å; H272-D274 PolarHBondContact CE1-OD2 2.89Å; H272-D274 VanDerWaalsContact CE1-OD2 3.3Å; H272-D274 WeakPolarHBondContact ND1-CB 3.36Å; H272-D274 PolarHBondContact ND1-N 3.5Å; H272-D274 VanDerWaalsContact ND1-N 3.15Å; H272-D274 IonicContact ND1-OD2 2.75Å; H272-D274 PolarHBondContact O-N 2.85Å; D274-V276 PolarHBondContact O-N 3.19Å; D274-L290 HydrophobicContact CB-CD2 3.79Å |
| 275 | C | 98.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 32% | 0.324 | C | S | . | . | G | 310 helix | trans | -65.8 | -17.3 | 171 | -68.2 | 0 | 0 | 0 | 0 | 112.3 | F268 H272 P273 V286 D287 | F268-C275 HydrophobicContact CB-CB 3.97Å; H272-C275 VanDerWaalsContact O-CB 3.22Å; H272-C275 WeakPolarHBondContact O-CB 3.38Å; H272-C275 PolarHBondContact O-N 3.37Å; P273-C275 PolarHBondContact O-N 3.37Å; P273-C275 VanDerWaalsContact O-N 3.08Å; C275-V286 CarbonylContact O-C 3.57Å; C275-V286 WeakPolarHBondContact O-CA 3.4Å; C275-D287 PolarHBondContact O-N 3.17Å |
| 276 | V | 98.4 | Very high | 97 | Very high | 4 Ų | 4 | 56.3 Ų | 56.3 | 2% | 0.024 | 32% | 0.324 | C | S | . | . | trans | -130.9 | 90.2 | 177.4 | -173.6 | 0 | 0 | 0 | 0 | 108.3 | A265 F268 I269 P273 D274 D278 P279 P284 V286 | A265-V276 HydrophobicContact CB-CG1 4.34Å; A265-V276 HydrophobicContact CB-CG2 4.27Å; A265-V276 WeakPolarHBondContact O-CG2 3.33Å; F268-V276 HydrophobicContact CB-CG2 3.8Å; I269-V276 HydrophobicContact CD1-CB 4.3Å; I269-V276 HydrophobicContact CD1-CG1 4.48Å; I269-V276 HydrophobicContact CD1-CG2 4.42Å; I269-V276 HydrophobicContact CG1-CB 3.77Å; I269-V276 HydrophobicContact CG1-CG1 4.45Å; I269-V276 HydrophobicContact CG1-CG2 3.62Å; P273-V276 PolarHBondContact O-N 2.99Å; P273-V276 VanDerWaalsContact O-N 3.08Å; D274-V276 PolarHBondContact O-N 3.19Å; V276-D278 PolarHBondContact O-N 2.74Å; V276-P279 HydrophobicContact CG1-CB 4.07Å; V276-P279 WeakPolarHBondContact O-CD 3.42Å; V276-P284 HydrophobicContact CG1-CB 3.52Å; V276-P284 HydrophobicContact CG1-CG 4.44Å; V276-V286 HydrophobicContact CG2-CG2 4.38Å | ||
| 277 | P | 97.7 | Very high | 97.1 | Very high | 85 Ų | 85 | 55.1 Ų | 55.1 | 55% | 0.552 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -69.1 | -20.4 | -173.8 | 27.1 | -35.6 | 0 | 0 | 0 | 113.9 | V255 H285 | V255-P277 HydrophobicContact CG2-CG 3.85Å; P277-H285 HydrophobicContact CG-CB 4.25Å |
| 278 | D | 97.4 | Very high | 97.1 | Very high | 48 Ų | 48 | 51.7 Ų | 51.7 | 26% | 0.257 | 29% | 0.293 | S | S | . | . | trans | -130 | 60.4 | -177.1 | 63.3 | -25.3 | 0 | 0 | 0 | 112.2 | V276 E280 S281 H285 | V276-D278 PolarHBondContact O-N 2.74Å; D278-E280 PolarHBondContact O-N 2.84Å; D278-E280 VanDerWaalsContact O-N 3.07Å; D278-S281 WeakPolarHBondContact O-CB 3.39Å; D278-S281 PolarHBondContact O-N 3.45Å; D278-H285 WeakPolarHBondContact OD1-CB 3.32Å; D278-H285 IonicContact OD1-CG 3.04Å; D278-H285 PolarHBondContact OD1-N 3.23Å; D278-H285 IonicContact OD1-ND1 2.65Å; D278-H285 IonicContact OD2-CE1 2.78Å; D278-H285 IonicContact OD2-CG 2.83Å; D278-H285 IonicContact OD2-ND1 3.75Å; D278-H285 PolarHBondContact OD2-ND1 2.88Å | ||
| 279 | P | 96.3 | Very high | 97.1 | Very high | 52 Ų | 52 | 52.5 Ų | 52.5 | 34% | 0.338 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -23.8 | -170.4 | 28 | -35.5 | 0 | 0 | 0 | 113.5 | I269 V276 S281 | I269-P279 HydrophobicContact CD1-CB 3.9Å; V276-P279 HydrophobicContact CG1-CB 4.07Å; V276-P279 WeakPolarHBondContact O-CD 3.42Å; P279-S281 VanDerWaalsContact C-N 3.26Å; P279-S281 PolarHBondContact O-N 3.45Å |
| 280 | E | 95.2 | Very high | 97.1 | Very high | 155 Ų | 155 | 50.5 Ų | 50.5 | 72% | 0.724 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.8 | -2.5 | 177 | -59.7 | -52.9 | 135.3 | 0 | 0 | 113.7 | R262 D278 | R262-E280 PolarHBondContact NH2-O 2.91Å; D278-E280 PolarHBondContact O-N 2.84Å; D278-E280 VanDerWaalsContact O-N 3.07Å |
| 281 | S | 96.1 | Very high | 97.2 | Very high | 39 Ų | 39 | 45.6 Ų | 45.6 | 27% | 0.273 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -69 | 151.6 | 172.4 | 178.5 | 0 | 0 | 0 | 0 | 111.2 | R262 D278 P279 R283 P284 | R262-S281 PolarHBondContact NE-O 2.86Å; R262-S281 VanDerWaalsContact NH2-C 3.27Å; R262-S281 PolarHBondContact NH2-O 3.25Å; D278-S281 WeakPolarHBondContact O-CB 3.39Å; D278-S281 PolarHBondContact O-N 3.45Å; P279-S281 VanDerWaalsContact C-N 3.26Å; P279-S281 PolarHBondContact O-N 3.45Å; S281-R283 VanDerWaalsContact OG-C 3.27Å; S281-R283 PolarHBondContact OG-N 2.71Å; S281-R283 PolarHBondContact OG-O 3.46Å; S281-R283 VanDerWaalsContact OG-O 3.13Å; S281-P284 WeakPolarHBondContact O-CG 3.42Å |
| 282 | A | 92.1 | Very high | 97.2 | Very high | 80 Ų | 80 | 45 Ų | 45 | 66% | 0.661 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -68.7 | -29.5 | 171 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 283 | R | 96.1 | Very high | 97.3 | Very high | 107 Ų | 107 | 44 Ų | 44 | 40% | 0.404 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -129.8 | 76.6 | 176.3 | -76 | -77.1 | -61 | -179.3 | 6.5 | 108.3 | T259 L260 D261 S281 | T259-R283 PolarHBondContact O-NH2 3.01Å; T259-R283 PolarHBondContact OG1-NH2 3.16Å; L260-R283 CarbonylContact O-C 3.47Å; L260-R283 VanDerWaalsContact O-CA 3.31Å; L260-R283 WeakPolarHBondContact O-CA 3.47Å; D261-R283 WeakPolarHBondContact OD1-CD 3.21Å; D261-R283 IonicContact OD1-CZ 2.8Å; D261-R283 IonicContact OD1-NE 3.1Å; D261-R283 IonicContact OD1-NH1 3.28Å; D261-R283 PolarHBondContact OD1-NH1 3.34Å; D261-R283 IonicContact OD2-NH1 2.69Å; S281-R283 VanDerWaalsContact OG-C 3.27Å; S281-R283 PolarHBondContact OG-N 2.71Å; S281-R283 PolarHBondContact OG-O 3.46Å; S281-R283 VanDerWaalsContact OG-O 3.13Å |
| 284 | P | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.222 | C | C | . | . | trans | -60.1 | 146.8 | -177.7 | -22.4 | 34.2 | 0 | 0 | 0 | 112.1 | T259 L260 R262 A265 V276 S281 | T259-P284 WeakPolarHBondContact CA-O 3.41Å; T259-P284 WeakPolarHBondContact CB-O 3.31Å; L260-P284 PolarHBondContact N-O 3.33Å; L260-P284 VanDerWaalsContact N-O 3.08Å; L260-P284 WeakPolarHBondContact O-CD 3.42Å; R262-P284 HydrophobicContact CB-CG 4.44Å; A265-P284 HydrophobicContact CB-CB 3.99Å; A265-P284 HydrophobicContact CB-CG 4.02Å; V276-P284 HydrophobicContact CG1-CB 3.52Å; V276-P284 HydrophobicContact CG1-CG 4.44Å; S281-P284 WeakPolarHBondContact O-CG 3.42Å | ||
| 285 | H | 98.5 | Very high | 97.4 | Very high | 64 Ų | 64 | 37.1 Ų | 37.1 | 30% | 0.296 | 20% | 0.202 | S | C | . | . | B | Isolated β-bridge | trans | -72 | 144.3 | 166.9 | -64.9 | 84.8 | 0 | 0 | 0 | 109.7 | V255 F258 P277 D278 | V255-H285 HydrophobicContact CG2-CB 3.94Å; V255-H285 WeakPolarHBondContact O-CB 3.38Å; V255-H285 PolarHBondContact O-CD2 3.29Å; F258-H285 CarbonylContact O-C 3.35Å; F258-H285 VanDerWaalsContact O-CA 3.27Å; F258-H285 WeakPolarHBondContact O-CA 3.46Å; P277-H285 HydrophobicContact CG-CB 4.25Å; D278-H285 WeakPolarHBondContact OD1-CB 3.32Å; D278-H285 IonicContact OD1-CG 3.04Å; D278-H285 PolarHBondContact OD1-N 3.23Å; D278-H285 IonicContact OD1-ND1 2.65Å; D278-H285 IonicContact OD2-CE1 2.78Å; D278-H285 IonicContact OD2-CG 2.83Å; D278-H285 IonicContact OD2-ND1 3.75Å; D278-H285 PolarHBondContact OD2-ND1 2.88Å |
| 286 | V | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.202 | C | C | . | . | trans | -129.2 | 123.3 | -177.5 | 177.8 | 0 | 0 | 0 | 0 | 110.1 | F258 L260 A265 F268 C275 V276 I288 | F258-V286 HydrophobicContact CD1-CB 3.84Å; F258-V286 HydrophobicContact CD1-CG1 4.29Å; F258-V286 HydrophobicContact CE1-CB 4.13Å; F258-V286 HydrophobicContact CE1-CG1 4.29Å; F258-V286 PolarHBondContact O-N 3.34Å; L260-V286 HydrophobicContact CB-CG2 4.07Å; L260-V286 HydrophobicContact CD1-CG1 4.47Å; L260-V286 HydrophobicContact CD1-CG2 4.04Å; L260-V286 HydrophobicContact CG-CG2 4.07Å; A265-V286 HydrophobicContact CB-CG2 3.93Å; F268-V286 HydrophobicContact CB-CG1 4.06Å; F268-V286 HydrophobicContact CD1-CG1 3.44Å; F268-V286 VanDerWaalsContact CD1-CG1 3.44Å; F268-V286 HydrophobicContact CD2-CG1 3.63Å; F268-V286 HydrophobicContact CE1-CG1 3.71Å; F268-V286 HydrophobicContact CE2-CG1 3.88Å; F268-V286 HydrophobicContact CG-CG1 3.41Å; F268-V286 VanDerWaalsContact CG-CG1 3.41Å; F268-V286 HydrophobicContact CZ-CG1 3.92Å; C275-V286 CarbonylContact O-C 3.57Å; C275-V286 WeakPolarHBondContact O-CA 3.4Å; V276-V286 HydrophobicContact CG2-CG2 4.38Å; V286-I288 HydrophobicContact CG1-CG2 3.95Å; V286-I288 PolarHBondContact O-N 2.86Å | ||
| 287 | D | 98.1 | Very high | 97.4 | Very high | 18 Ų | 18 | 40.1 Ų | 40.1 | 10% | 0.096 | 22% | 0.216 | C | C | . | . | trans | -88.8 | 85.2 | 173.1 | -163.2 | -22.9 | 0 | 0 | 0 | 110.6 | V255 C275 L289 L290 A291 M310 | V255-D287 HydrophobicContact CB-CB 3.88Å; V255-D287 HydrophobicContact CG2-CB 3.96Å; C275-D287 PolarHBondContact O-N 3.17Å; D287-L289 PolarHBondContact O-N 2.94Å; D287-L289 VanDerWaalsContact OD1-CB 3.32Å; D287-L289 WeakPolarHBondContact OD1-CB 3.26Å; D287-L289 PolarHBondContact OD1-N 2.65Å; D287-L289 VanDerWaalsContact OD1-N 3.08Å; D287-L290 HydrophobicContact CB-CB 3.9Å; D287-L290 VanDerWaalsContact CG-CB 3.4Å; D287-L290 PolarHBondContact O-N 3.38Å; D287-L290 PolarHBondContact OD1-N 3.24Å; D287-A291 PolarHBondContact O-N 3.25Å; D287-A291 VanDerWaalsContact O-N 3.12Å; D287-M310 WeakPolarHBondContact OD2-CE 3.21Å | ||
| 288 | I | 96.8 | Very high | 97.4 | Very high | 3 Ų | 3 | 43.4 Ų | 43.4 | 2% | 0.015 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.7 | -24.2 | 175.7 | 56.3 | 178.8 | 0 | 0 | 0 | 112.9 | L200 W219 V253 F258 F268 V286 N292 | L200-I288 HydrophobicContact CD1-CB 3.99Å; L200-I288 HydrophobicContact CD1-CD1 3.36Å; L200-I288 HydrophobicContact CD1-CG1 3.65Å; W219-I288 HydrophobicContact CB-CG2 4.44Å; V253-I288 HydrophobicContact CG1-CD1 3.56Å; F258-I288 HydrophobicContact CD1-CD1 4.36Å; F258-I288 HydrophobicContact CD1-CG2 3.63Å; F258-I288 HydrophobicContact CE1-CG2 3.46Å; F258-I288 VanDerWaalsContact CE1-CG2 3.46Å; F258-I288 HydrophobicContact CZ-CG2 4.5Å; F268-I288 HydrophobicContact CE1-CB 4.47Å; F268-I288 HydrophobicContact CE1-CG2 3.8Å; F268-I288 HydrophobicContact CZ-CG2 3.92Å; V286-I288 HydrophobicContact CG1-CG2 3.95Å; V286-I288 PolarHBondContact O-N 2.86Å; I288-N292 PolarHBondContact O-N 2.96Å; I288-N292 PolarHBondContact O-ND2 3.39Å |
| 289 | L | 97.1 | Very high | 97.5 | Very high | 16 Ų | 16 | 46 Ų | 46 | 8% | 0.084 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -72 | -51.1 | 177.1 | -177.5 | 66.5 | 0 | 0 | 0 | 110 | L200 V249 D287 A291 N292 R293 D308 N309 T318 | L200-L289 HydrophobicContact CD2-CD1 4.13Å; V249-L289 HydrophobicContact CB-CD1 4.03Å; V249-L289 HydrophobicContact CG1-CD1 3.53Å; V249-L289 HydrophobicContact CG2-CD1 4.36Å; D287-L289 PolarHBondContact O-N 2.94Å; D287-L289 VanDerWaalsContact OD1-CB 3.32Å; D287-L289 WeakPolarHBondContact OD1-CB 3.26Å; D287-L289 PolarHBondContact OD1-N 2.65Å; D287-L289 VanDerWaalsContact OD1-N 3.08Å; L289-A291 VanDerWaalsContact C-N 3.28Å; L289-A291 PolarHBondContact O-N 3.27Å; L289-N292 PolarHBondContact O-N 2.99Å; L289-R293 PolarHBondContact O-N 3.47Å; L289-D308 HydrophobicContact CD1-CB 3.86Å; L289-D308 HydrophobicContact CD2-CB 4.28Å; L289-D308 HydrophobicContact CG-CB 4.3Å; L289-N309 HydrophobicContact CD2-CB 4.24Å; L289-T318 HydrophobicContact CD1-CG2 3.68Å; L289-T318 HydrophobicContact CD2-CG2 4.01Å; L289-T318 HydrophobicContact CG-CG2 4.45Å |
| 290 | L | 97.8 | Very high | 97.6 | Very high | 28 Ų | 28 | 45.1 Ų | 45.1 | 15% | 0.147 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -58.4 | -42.3 | 176.4 | -179.8 | 59.2 | 0 | 0 | 0 | 111.4 | D274 D287 N292 R293 V294 M310 | D274-L290 HydrophobicContact CB-CD2 3.79Å; D287-L290 HydrophobicContact CB-CB 3.9Å; D287-L290 VanDerWaalsContact CG-CB 3.4Å; D287-L290 PolarHBondContact O-N 3.38Å; D287-L290 PolarHBondContact OD1-N 3.24Å; L290-N292 PolarHBondContact O-N 2.83Å; L290-R293 PolarHBondContact O-N 2.78Å; L290-V294 HydrophobicContact CD1-CG2 3.99Å; L290-V294 HydrophobicContact CG-CG2 4.3Å; L290-V294 WeakPolarHBondContact O-CG2 3.36Å; L290-V294 PolarHBondContact O-N 2.84Å; L290-M310 HydrophobicContact CB-CE 4.14Å; L290-M310 HydrophobicContact CD1-CE 4.5Å |
| 291 | A | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -57.8 | -49 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | T222 F268 I271 D287 L289 R293 V294 L295 | T222-A291 HydrophobicContact CG2-CB 3.78Å; F268-A291 HydrophobicContact CD1-CB 3.64Å; F268-A291 HydrophobicContact CE1-CB 3.78Å; I271-A291 HydrophobicContact CD1-CB 4.09Å; I271-A291 HydrophobicContact CG2-CB 4.33Å; D287-A291 PolarHBondContact O-N 3.25Å; D287-A291 VanDerWaalsContact O-N 3.12Å; L289-A291 VanDerWaalsContact C-N 3.28Å; L289-A291 PolarHBondContact O-N 3.27Å; A291-R293 PolarHBondContact O-N 3.42Å; A291-V294 PolarHBondContact O-N 3.26Å; A291-L295 WeakPolarHBondContact O-CB 3.47Å; A291-L295 VanDerWaalsContact O-CG 3.24Å; A291-L295 WeakPolarHBondContact O-CG 3.5Å; A291-L295 PolarHBondContact O-N 3.38Å |
| 292 | N | 98.5 | Very high | 97.8 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.9 | -41.9 | 176.3 | -82.4 | -81.3 | 0 | 0 | 0 | 111.9 | L200 I202 T222 A227 I288 L289 L290 V294 L295 L296 | L200-N292 HydrophobicContact CD2-CB 4.33Å; I202-N292 HydrophobicContact CD1-CB 4.46Å; T222-N292 WeakPolarHBondContact CG2-ND2 3.31Å; T222-N292 PolarHBondContact OG1-ND2 2.95Å; A227-N292 WeakPolarHBondContact CB-OD1 3.37Å; I288-N292 PolarHBondContact O-N 2.96Å; I288-N292 PolarHBondContact O-ND2 3.39Å; L289-N292 PolarHBondContact O-N 2.99Å; L290-N292 PolarHBondContact O-N 2.83Å; N292-V294 PolarHBondContact O-N 3.34Å; N292-L295 PolarHBondContact O-N 3.16Å; N292-L296 WeakPolarHBondContact O-CB 3.36Å; N292-L296 VanDerWaalsContact O-CG 3.25Å; N292-L296 WeakPolarHBondContact O-CG 3.4Å; N292-L296 PolarHBondContact O-N 3.04Å |
| 293 | R | 98.2 | Very high | 98.1 | Very high | 36 Ų | 36 | 38 Ų | 38 | 14% | 0.136 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -58.4 | -49.3 | 176.7 | -174.9 | 178.6 | -174.2 | 74.2 | 7.7 | 111.6 | L289 L290 A291 L295 L296 Q297 P303 I306 D308 | L289-R293 PolarHBondContact O-N 3.47Å; L290-R293 PolarHBondContact O-N 2.78Å; A291-R293 PolarHBondContact O-N 3.42Å; R293-L295 PolarHBondContact O-N 2.92Å; R293-L296 PolarHBondContact O-N 3.42Å; R293-Q297 WeakPolarHBondContact O-CB 3.27Å; R293-Q297 VanDerWaalsContact O-CG 3.29Å; R293-Q297 WeakPolarHBondContact O-CG 3.09Å; R293-Q297 PolarHBondContact O-N 3.03Å; R293-P303 PolarHBondContact NH2-O 3.16Å; R293-P303 VanDerWaalsContact NH2-O 3.14Å; R293-I306 HydrophobicContact CG-CD1 4.41Å; R293-I306 PolarHBondContact NH1-O 2.99Å; R293-D308 VanDerWaalsContact CD-OD2 3.32Å; R293-D308 WeakPolarHBondContact CD-OD2 3.47Å; R293-D308 IonicContact CZ-OD1 3.84Å; R293-D308 IonicContact CZ-OD2 3.95Å; R293-D308 IonicContact NE-OD2 3.72Å; R293-D308 VanDerWaalsContact NH1-CG 3.29Å; R293-D308 IonicContact NH1-OD1 3.68Å; R293-D308 PolarHBondContact NH1-OD1 3.38Å; R293-D308 IonicContact NH1-OD2 3.17Å; R293-D308 PolarHBondContact NH1-OD2 3.14Å |
| 294 | V | 98.5 | Very high | 98.1 | Very high | 12 Ų | 12 | 38.2 Ų | 38.2 | 7% | 0.073 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.5 | -45.4 | 179 | 169 | 0 | 0 | 0 | 0 | 111.2 | I271 H272 L290 A291 N292 Q297 R298 | I271-V294 HydrophobicContact CG2-CB 4.26Å; I271-V294 HydrophobicContact CG2-CG1 4.02Å; H272-V294 HydrophobicContact CB-CG1 4.38Å; H272-V294 HydrophobicContact CB-CG2 4.15Å; L290-V294 HydrophobicContact CD1-CG2 3.99Å; L290-V294 HydrophobicContact CG-CG2 4.3Å; L290-V294 WeakPolarHBondContact O-CG2 3.36Å; L290-V294 PolarHBondContact O-N 2.84Å; A291-V294 PolarHBondContact O-N 3.26Å; N292-V294 PolarHBondContact O-N 3.34Å; V294-Q297 PolarHBondContact O-N 3.04Å; V294-R298 HydrophobicContact CG1-CG 4.41Å; V294-R298 VanDerWaalsContact CG1-CZ 3.42Å; V294-R298 WeakPolarHBondContact O-CB 3.47Å; V294-R298 VanDerWaalsContact O-CG 3.28Å; V294-R298 WeakPolarHBondContact O-CG 2.97Å; V294-R298 PolarHBondContact O-N 2.75Å |
| 295 | L | 98.7 | Very high | 98.1 | Very high | 32 Ų | 32 | 40.5 Ų | 40.5 | 17% | 0.168 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.6 | -45.1 | 179 | -71 | 172.2 | 0 | 0 | 0 | 111.8 | T222 T228 I271 A291 N292 R293 R298 R299 | T222-L295 HydrophobicContact CG2-CD1 4.48Å; T222-L295 VanDerWaalsContact O-CD1 3.3Å; T222-L295 WeakPolarHBondContact O-CD1 3.25Å; T228-L295 HydrophobicContact CG2-CB 3.92Å; T228-L295 WeakPolarHBondContact CG2-O 3.49Å; I271-L295 HydrophobicContact CD1-CD1 4.07Å; I271-L295 HydrophobicContact CG1-CD2 4.45Å; I271-L295 HydrophobicContact CG2-CD2 4.1Å; I271-L295 HydrophobicContact CG2-CG 3.95Å; A291-L295 WeakPolarHBondContact O-CB 3.47Å; A291-L295 VanDerWaalsContact O-CG 3.24Å; A291-L295 WeakPolarHBondContact O-CG 3.5Å; A291-L295 PolarHBondContact O-N 3.38Å; N292-L295 PolarHBondContact O-N 3.16Å; R293-L295 PolarHBondContact O-N 2.92Å; L295-R298 PolarHBondContact O-N 2.9Å; L295-R299 WeakPolarHBondContact O-CB 3.15Å; L295-R299 PolarHBondContact O-N 2.89Å |
| 296 | L | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.2 | -44.9 | 177.5 | -73.9 | 167.6 | 0 | 0 | 0 | 112.2 | F204 A227 V231 V247 N292 R293 R299 G300 V301 I306 | F204-L296 HydrophobicContact CE1-CD2 3.96Å; A227-L296 HydrophobicContact CB-CD1 4.43Å; A227-L296 HydrophobicContact CB-CD2 4Å; A227-L296 HydrophobicContact CB-CG 4.18Å; V231-L296 HydrophobicContact CG2-CD2 3.78Å; V247-L296 HydrophobicContact CG1-CD1 3.95Å; V247-L296 HydrophobicContact CG2-CD1 4.47Å; N292-L296 WeakPolarHBondContact O-CB 3.36Å; N292-L296 VanDerWaalsContact O-CG 3.25Å; N292-L296 WeakPolarHBondContact O-CG 3.4Å; N292-L296 PolarHBondContact O-N 3.04Å; R293-L296 PolarHBondContact O-N 3.42Å; L296-R299 PolarHBondContact O-N 3.37Å; L296-R299 VanDerWaalsContact O-N 3.17Å; L296-G300 PolarHBondContact O-N 2.51Å; L296-G300 VanDerWaalsContact O-N 3.16Å; L296-V301 HydrophobicContact CB-CB 4.29Å; L296-V301 HydrophobicContact CB-CG2 4.37Å; L296-V301 HydrophobicContact CD2-CG2 4.17Å; L296-V301 PolarHBondContact O-N 2.78Å; L296-I306 HydrophobicContact CB-CD1 3.77Å; L296-I306 HydrophobicContact CD1-CD1 4.39Å |
| 297 | Q | 98.6 | Very high | 98 | Very high | 66 Ų | 66 | 37.5 Ų | 37.5 | 31% | 0.308 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -63 | -45.8 | 177.1 | -72.8 | 176.8 | -7.1 | 0 | 0 | 112 | R293 V294 R299 G300 V301 P303 I306 | R293-Q297 WeakPolarHBondContact O-CB 3.27Å; R293-Q297 VanDerWaalsContact O-CG 3.29Å; R293-Q297 WeakPolarHBondContact O-CG 3.09Å; R293-Q297 PolarHBondContact O-N 3.03Å; V294-Q297 PolarHBondContact O-N 3.04Å; Q297-R299 PolarHBondContact O-N 3.14Å; Q297-G300 PolarHBondContact O-N 2.88Å; Q297-V301 WeakPolarHBondContact CA-O 3.21Å; Q297-P303 HydrophobicContact CG-CG 4.22Å; Q297-I306 HydrophobicContact CG-CD1 3.79Å |
| 298 | R | 98.5 | Very high | 97.8 | Very high | 154 Ų | 154 | 36.8 Ų | 36.8 | 58% | 0.581 | 18% | 0.178 | S | C | * | . | H | α-helix | trans | -60.2 | -30.5 | 174.9 | -75.1 | 176.8 | -178.8 | 168.8 | 6.8 | 112.4 | I271 V294 L295 G300 | I271-R298 PolarHBondContact O-NH1 3.29Å; I271-R298 PolarHBondContact O-NH2 3.2Å; V294-R298 HydrophobicContact CG1-CG 4.41Å; V294-R298 VanDerWaalsContact CG1-CZ 3.42Å; V294-R298 WeakPolarHBondContact O-CB 3.47Å; V294-R298 VanDerWaalsContact O-CG 3.28Å; V294-R298 WeakPolarHBondContact O-CG 2.97Å; V294-R298 PolarHBondContact O-N 2.75Å; L295-R298 PolarHBondContact O-N 2.9Å; R298-G300 VanDerWaalsContact C-N 3.3Å |
| 299 | R | 98.2 | Very high | 97.4 | Very high | 103 Ų | 103 | 39.8 Ų | 39.8 | 39% | 0.389 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -77.6 | -16 | 176.6 | -159.3 | 65.2 | -176 | 120.4 | 2.7 | 113.5 | T228 D232 Y242 L295 L296 Q297 | T228-R299 HydrophobicContact CG2-CB 3.73Å; T228-R299 HydrophobicContact CG2-CG 4.04Å; D232-R299 IonicContact OD1-CZ 3.96Å; D232-R299 IonicContact OD1-NE 3.74Å; D232-R299 PolarHBondContact OD1-NE 3.33Å; D232-R299 IonicContact OD1-NH2 3.57Å; D232-R299 PolarHBondContact OD1-NH2 2.85Å; D232-R299 IonicContact OD2-CZ 2.79Å; D232-R299 VanDerWaalsContact OD2-CZ 3.28Å; D232-R299 IonicContact OD2-NE 3.3Å; D232-R299 PolarHBondContact OD2-NE 2.93Å; D232-R299 IonicContact OD2-NH2 3.9Å; D232-R299 PolarHBondContact OD2-NH2 3.46Å; Y242-R299 HydrophobicContact CD1-CG 4.18Å; Y242-R299 VanDerWaalsContact CD1-O 3.27Å; Y242-R299 WeakPolarHBondContact CD1-O 3.16Å; Y242-R299 HydrophobicContact CE1-CG 3.76Å; Y242-R299 PolarHBondContact OH-NH2 2.96Å; L295-R299 WeakPolarHBondContact O-CB 3.15Å; L295-R299 PolarHBondContact O-N 2.89Å; L296-R299 PolarHBondContact O-N 3.37Å; L296-R299 VanDerWaalsContact O-N 3.17Å; Q297-R299 PolarHBondContact O-N 3.14Å |
| 300 | G | 98.5 | Very high | 96.9 | Very high | 33 Ų | 33 | 43.2 Ų | 43.2 | 34% | 0.34 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 112.8 | 7.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y242 L296 Q297 R298 | Y242-G300 CarbonylContact C-O 3.53Å; Y242-G300 WeakPolarHBondContact CB-O 3.49Å; L296-G300 PolarHBondContact O-N 2.51Å; L296-G300 VanDerWaalsContact O-N 3.16Å; Q297-G300 PolarHBondContact O-N 2.88Å; R298-G300 VanDerWaalsContact C-N 3.3Å |
| 301 | V | 98.7 | Very high | 96.1 | Very high | 2 Ų | 2 | 43.1 Ų | 43.1 | 1% | 0.012 | 21% | 0.211 | C | C | . | . | trans | -70.7 | 130.3 | 168.6 | -178 | 0 | 0 | 0 | 0 | 108.3 | V231 V247 L296 Q297 H305 I306 | V231-V301 HydrophobicContact CG1-CG2 4.17Å; V231-V301 HydrophobicContact CG2-CG2 4.06Å; V247-V301 HydrophobicContact CG2-CG1 3.97Å; L296-V301 HydrophobicContact CB-CB 4.29Å; L296-V301 HydrophobicContact CB-CG2 4.37Å; L296-V301 HydrophobicContact CD2-CG2 4.17Å; L296-V301 PolarHBondContact O-N 2.78Å; Q297-V301 WeakPolarHBondContact CA-O 3.21Å; V301-H305 HydrophobicContact CG1-CB 4.29Å; V301-I306 HydrophobicContact CB-CD1 4.37Å; V301-I306 HydrophobicContact CB-CG1 4.49Å; V301-I306 HydrophobicContact CG1-CD1 4.04Å; V301-I306 HydrophobicContact CG1-CG1 3.64Å | ||
| 302 | L | 98.3 | Very high | 95.3 | Very high | 64 Ų | 64 | 48 Ų | 48 | 34% | 0.335 | 25% | 0.25 | S | S | . | . | trans | -66.7 | 139.4 | -177.1 | -61 | 178.8 | 0 | 0 | 0 | 111.1 | E304 H305 | L302-E304 HydrophobicContact CB-CG 4.15Å; L302-E304 PolarHBondContact O-N 2.88Å; L302-H305 HydrophobicContact CB-CB 4.14Å; L302-H305 WeakPolarHBondContact O-CA 3.34Å; L302-H305 WeakPolarHBondContact O-CB 3.41Å; L302-H305 PolarHBondContact O-N 3.27Å | ||
| 303 | P | 96.4 | Very high | 94.7 | Very high | 60 Ų | 60 | 53.6 Ų | 53.6 | 39% | 0.39 | 29% | 0.285 | S | S | . | . | G | 310 helix | trans | -52.6 | -38.1 | 177.4 | -28.9 | 35.9 | 0 | 0 | 0 | 114.5 | R293 Q297 H305 I306 | R293-P303 PolarHBondContact NH2-O 3.16Å; R293-P303 VanDerWaalsContact NH2-O 3.14Å; Q297-P303 HydrophobicContact CG-CG 4.22Å; P303-H305 PolarHBondContact O-N 2.71Å; P303-I306 PolarHBondContact O-N 3.38Å |
| 304 | E | 96.4 | Very high | 94.3 | Very high | 111 Ų | 111 | 55.6 Ų | 55.6 | 52% | 0.519 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -73 | -12.8 | 176.7 | 60.7 | -92.9 | -143.6 | 0 | 0 | 113.9 | L100 L302 | L100-E304 WeakPolarHBondContact CD1-O 3.48Å; L302-E304 HydrophobicContact CB-CG 4.15Å; L302-E304 PolarHBondContact O-N 2.88Å |
| 305 | H | 97.8 | Very high | 93.8 | Very high | 48 Ų | 48 | 59.1 Ų | 59.1 | 22% | 0.222 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -95.4 | 2.6 | 175.4 | -73.6 | -177.7 | 0 | 0 | 0 | 113.1 | L100 G243 I245 V246 V247 V301 L302 P303 | L100-H305 VanDerWaalsContact CD1-C 3.42Å; L100-H305 WeakPolarHBondContact CD1-O 3.29Å; G243-H305 PolarHBondContact O-CE1 3.43Å; G243-H305 PolarHBondContact O-ND1 2.66Å; I245-H305 WeakPolarHBondContact O-CB 3.38Å; V246-H305 CarbonylContact C-O 3.58Å; V246-H305 WeakPolarHBondContact CA-O 3.49Å; V246-H305 HydrophobicContact CG1-CB 4.21Å; V247-H305 PolarHBondContact N-O 2.83Å; V301-H305 HydrophobicContact CG1-CB 4.29Å; L302-H305 HydrophobicContact CB-CB 4.14Å; L302-H305 WeakPolarHBondContact O-CA 3.34Å; L302-H305 WeakPolarHBondContact O-CB 3.41Å; L302-H305 PolarHBondContact O-N 3.27Å; P303-H305 PolarHBondContact O-N 2.71Å |
| 306 | I | 97.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 109.3 | 176.9 | -56.1 | 170.7 | 0 | 0 | 0 | 109.3 | V247 R293 L296 Q297 V301 P303 D308 | V247-I306 HydrophobicContact CB-CG1 4.41Å; R293-I306 HydrophobicContact CG-CD1 4.41Å; R293-I306 PolarHBondContact NH1-O 2.99Å; L296-I306 HydrophobicContact CB-CD1 3.77Å; L296-I306 HydrophobicContact CD1-CD1 4.39Å; Q297-I306 HydrophobicContact CG-CD1 3.79Å; V301-I306 HydrophobicContact CB-CD1 4.37Å; V301-I306 HydrophobicContact CB-CG1 4.49Å; V301-I306 HydrophobicContact CG1-CD1 4.04Å; V301-I306 HydrophobicContact CG1-CG1 3.64Å; P303-I306 PolarHBondContact O-N 3.38Å; I306-D308 WeakPolarHBondContact CG2-OD2 3.26Å |
| 307 | H | 97.8 | Very high | 92.9 | Very high | 1 Ų | 1 | 62.1 Ų | 62.1 | 1% | 0.005 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 106.9 | 173.6 | -166.5 | -176.9 | 0 | 0 | 0 | 110.5 | S98 T99 L100 V247 V249 R314 P315 V317 | S98-H307 WeakPolarHBondContact CA-ND1 3.44Å; S98-H307 WeakPolarHBondContact CB-ND1 3.43Å; S98-H307 PolarHBondContact OG-ND1 3.22Å; T99-H307 PolarHBondContact N-ND1 3.45Å; L100-H307 HydrophobicContact CB-CB 4.37Å; L100-H307 HydrophobicContact CD1-CB 3.63Å; L100-H307 HydrophobicContact CG-CB 3.92Å; V247-H307 PolarHBondContact O-N 2.99Å; V249-H307 PolarHBondContact N-O 3.18Å; H307-R314 VanDerWaalsContact NE2-CB 3.31Å; H307-R314 WeakPolarHBondContact NE2-CB 3.38Å; H307-P315 PolarHBondContact NE2-O 2.75Å; H307-V317 HydrophobicContact CB-CG2 4.49Å; H307-V317 VanDerWaalsContact CE1-CG1 3.49Å; H307-V317 WeakPolarHBondContact CE1-CG1 3.5Å |
| 308 | D | 94.9 | Very high | 92.7 | Very high | 2 Ų | 2 | 59.2 Ų | 59.2 | 1% | 0.011 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -140.2 | -174.3 | 172.7 | 55.9 | 32.1 | 0 | 0 | 0 | 109.1 | V249 L289 R293 I306 M310 D311 T318 | V249-D308 HydrophobicContact CB-CB 4.19Å; V249-D308 HydrophobicContact CG2-CB 4.25Å; L289-D308 HydrophobicContact CD1-CB 3.86Å; L289-D308 HydrophobicContact CD2-CB 4.28Å; L289-D308 HydrophobicContact CG-CB 4.3Å; R293-D308 VanDerWaalsContact CD-OD2 3.32Å; R293-D308 WeakPolarHBondContact CD-OD2 3.47Å; R293-D308 IonicContact CZ-OD1 3.84Å; R293-D308 IonicContact CZ-OD2 3.95Å; R293-D308 IonicContact NE-OD2 3.72Å; R293-D308 VanDerWaalsContact NH1-CG 3.29Å; R293-D308 IonicContact NH1-OD1 3.68Å; R293-D308 PolarHBondContact NH1-OD1 3.38Å; R293-D308 IonicContact NH1-OD2 3.17Å; R293-D308 PolarHBondContact NH1-OD2 3.14Å; I306-D308 WeakPolarHBondContact CG2-OD2 3.26Å; D308-M310 PolarHBondContact O-N 2.9Å; D308-M310 WeakPolarHBondContact OD1-CA 3.49Å; D308-M310 VanDerWaalsContact OD1-CB 3.24Å; D308-M310 WeakPolarHBondContact OD1-CB 3.26Å; D308-M310 PolarHBondContact OD1-N 2.83Å; D308-D311 PolarHBondContact O-N 3.34Å; D308-D311 PolarHBondContact OD1-N 3Å; D308-T318 WeakPolarHBondContact CA-OG1 3.46Å |
| 309 | N | 88 | Confident | 92.6 | Very high | 67 Ų | 67 | 53.1 Ų | 53.1 | 36% | 0.358 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | 2.6 | 177.4 | -79.2 | 5 | 0 | 0 | 0 | 114.9 | L289 P316 V317 T318 | L289-N309 HydrophobicContact CD2-CB 4.24Å; N309-P316 WeakPolarHBondContact OD1-CA 3.46Å; N309-P316 WeakPolarHBondContact OD1-CB 2.98Å; N309-V317 PolarHBondContact OD1-N 2.69Å; N309-T318 PolarHBondContact N-OG1 2.89Å; N309-T318 PolarHBondContact ND2-O 3.34Å; N309-T318 WeakPolarHBondContact OD1-CA 3.02Å; N309-T318 WeakPolarHBondContact OD1-CB 3.4Å; N309-T318 PolarHBondContact OD1-N 2.9Å |
| 310 | M | 85.5 | Confident | 92.6 | Very high | 87 Ų | 87 | 48.9 Ų | 48.9 | 43% | 0.429 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | -17.8 | 174.4 | -57.1 | -67.5 | -168.8 | 0 | 0 | 112 | D287 L290 D308 A312 | D287-M310 WeakPolarHBondContact OD2-CE 3.21Å; L290-M310 HydrophobicContact CB-CE 4.14Å; L290-M310 HydrophobicContact CD1-CE 4.5Å; D308-M310 PolarHBondContact O-N 2.9Å; D308-M310 WeakPolarHBondContact OD1-CA 3.49Å; D308-M310 VanDerWaalsContact OD1-CB 3.24Å; D308-M310 WeakPolarHBondContact OD1-CB 3.26Å; D308-M310 PolarHBondContact OD1-N 2.83Å; M310-A312 PolarHBondContact O-N 3.42Å |
| 311 | D | 81.6 | Confident | 92.6 | Very high | 27 Ų | 27 | 47.3 Ų | 47.3 | 14% | 0.144 | 27% | 0.274 | C | S | . | . | trans | -85.4 | 90.1 | 171.2 | -174.9 | -1.1 | 0 | 0 | 0 | 110.8 | D308 T313 R314 | D308-D311 PolarHBondContact O-N 3.34Å; D308-D311 PolarHBondContact OD1-N 3Å; D311-T313 PolarHBondContact O-N 2.88Å; D311-T313 VanDerWaalsContact O-N 3.09Å; D311-T313 VanDerWaalsContact OD1-CB 3.32Å; D311-T313 WeakPolarHBondContact OD1-CB 3.22Å; D311-T313 PolarHBondContact OD1-N 3.43Å; D311-T313 PolarHBondContact OD1-OG1 3.36Å; D311-T313 PolarHBondContact OD2-OG1 3.19Å; D311-R314 PolarHBondContact O-N 3.33Å; D311-R314 WeakPolarHBondContact OD2-CD 3.48Å; D311-R314 WeakPolarHBondContact OD2-CG 3.37Å; D311-R314 IonicContact OD2-NE 3.05Å; D311-R314 PolarHBondContact OD2-NE 3.16Å | ||
| 312 | A | 82.2 | Confident | 92.6 | Very high | 101 Ų | 101 | 48.1 Ų | 48.1 | 84% | 0.835 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -5.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | M310 R314 | M310-A312 PolarHBondContact O-N 3.42Å; A312-R314 VanDerWaalsContact C-N 3.28Å |
| 313 | T | 85.4 | Confident | 92.6 | Very high | 119 Ų | 119 | 48.3 Ų | 48.3 | 73% | 0.73 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -6.6 | 177.8 | 74.7 | 0 | 0 | 0 | 0 | 112.8 | D311 | D311-T313 PolarHBondContact O-N 2.88Å; D311-T313 VanDerWaalsContact O-N 3.09Å; D311-T313 VanDerWaalsContact OD1-CB 3.32Å; D311-T313 WeakPolarHBondContact OD1-CB 3.22Å; D311-T313 PolarHBondContact OD1-N 3.43Å; D311-T313 PolarHBondContact OD1-OG1 3.36Å; D311-T313 PolarHBondContact OD2-OG1 3.19Å |
| 314 | R | 88.9 | Confident | 92.6 | Very high | 78 Ų | 78 | 48.2 Ų | 48.2 | 29% | 0.294 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -125.2 | 155.8 | -174.6 | -60.9 | -179.2 | -177.4 | -73.6 | -3.4 | 112.1 | T99 L100 H307 D311 A312 | T99-R314 WeakPolarHBondContact OG1-CD 3.29Å; T99-R314 PolarHBondContact OG1-NH1 3.33Å; L100-R314 VanDerWaalsContact CD2-NH2 3.29Å; H307-R314 VanDerWaalsContact NE2-CB 3.31Å; H307-R314 WeakPolarHBondContact NE2-CB 3.38Å; D311-R314 PolarHBondContact O-N 3.33Å; D311-R314 WeakPolarHBondContact OD2-CD 3.48Å; D311-R314 WeakPolarHBondContact OD2-CG 3.37Å; D311-R314 IonicContact OD2-NE 3.05Å; D311-R314 PolarHBondContact OD2-NE 3.16Å; A312-R314 VanDerWaalsContact C-N 3.28Å |
| 315 | P | 88.1 | Confident | 92.6 | Very high | 86 Ų | 86 | 45.4 Ų | 45.4 | 56% | 0.558 | 27% | 0.273 | S | S | * | . | trans | -59.5 | 137.5 | 170.9 | -21.2 | 33 | 0 | 0 | 0 | 110.9 | H307 V317 | H307-P315 PolarHBondContact NE2-O 2.75Å; P315-V317 PolarHBondContact O-N 2.98Å | ||
| 316 | P | 87.3 | Confident | 92.6 | Very high | 91 Ų | 91 | 49.1 Ų | 49.1 | 59% | 0.591 | 30% | 0.295 | S | S | * | . | trans | -64.5 | 134.5 | -176.3 | 26 | -34.1 | 0 | 0 | 0 | 111.7 | N309 | N309-P316 WeakPolarHBondContact OD1-CA 3.46Å; N309-P316 WeakPolarHBondContact OD1-CB 2.98Å | ||
| 317 | V | 92 | Very high | 92.5 | Very high | 4 Ų | 4 | 51.2 Ų | 51.2 | 2% | 0.024 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -119.4 | -3.3 | 177.1 | -66.4 | 0 | 0 | 0 | 0 | 113.3 | R97 G250 P251 H307 N309 P315 P319 | R97-V317 WeakPolarHBondContact O-CG1 3.39Å; G250-V317 CarbonylContact C-O 3.59Å; G250-V317 WeakPolarHBondContact CA-O 3.28Å; P251-V317 VanDerWaalsContact CD-O 3.28Å; P251-V317 WeakPolarHBondContact CD-O 3.38Å; H307-V317 HydrophobicContact CB-CG2 4.49Å; H307-V317 VanDerWaalsContact CE1-CG1 3.49Å; H307-V317 WeakPolarHBondContact CE1-CG1 3.5Å; N309-V317 PolarHBondContact OD1-N 2.69Å; P315-V317 PolarHBondContact O-N 2.98Å; V317-P319 WeakPolarHBondContact O-CD 3.44Å |
| 318 | T | 94.9 | Very high | 92.5 | Very high | 5 Ų | 5 | 51.3 Ų | 51.3 | 3% | 0.031 | 31% | 0.306 | C | S | . | . | trans | -120.7 | 41.1 | -177 | -36.8 | 0 | 0 | 0 | 0 | 113.4 | V249 G250 S252 L289 D308 N309 | V249-T318 HydrophobicContact CG1-CG2 4.05Å; V249-T318 PolarHBondContact O-OG1 3.5Å; G250-T318 WeakPolarHBondContact O-CG2 3.22Å; S252-T318 WeakPolarHBondContact OG-CG2 3.48Å; L289-T318 HydrophobicContact CD1-CG2 3.68Å; L289-T318 HydrophobicContact CD2-CG2 4.01Å; L289-T318 HydrophobicContact CG-CG2 4.45Å; D308-T318 WeakPolarHBondContact CA-OG1 3.46Å; N309-T318 PolarHBondContact N-OG1 2.89Å; N309-T318 PolarHBondContact ND2-O 3.34Å; N309-T318 WeakPolarHBondContact OD1-CA 3.02Å; N309-T318 WeakPolarHBondContact OD1-CB 3.4Å; N309-T318 PolarHBondContact OD1-N 2.9Å | ||
| 319 | P | 96.3 | Very high | 92.7 | Very high | 26 Ų | 26 | 51.2 Ų | 51.2 | 17% | 0.169 | 31% | 0.306 | C | S | . | . | trans | -56.4 | 146.9 | -179.6 | 27.3 | -36.4 | 0 | 0 | 0 | 112 | L96 P251 S252 V317 T321 F328 | L96-P319 HydrophobicContact CD1-CG 3.92Å; P251-P319 HydrophobicContact CB-CG 4.14Å; P251-P319 HydrophobicContact CG-CG 4.1Å; S252-P319 PolarHBondContact N-O 3.34Å; V317-P319 WeakPolarHBondContact O-CD 3.44Å; P319-T321 PolarHBondContact O-N 3.39Å; P319-T321 VanDerWaalsContact O-N 3.15Å; P319-F328 HydrophobicContact CB-CE2 4.05Å; P319-F328 HydrophobicContact CG-CD2 4.37Å; P319-F328 HydrophobicContact CG-CE2 3.38Å; P319-F328 HydrophobicContact CG-CZ 3.57Å | ||
| 320 | C | 97.9 | Very high | 93.2 | Very high | 14 Ų | 14 | 48 Ų | 48 | 10% | 0.095 | 29% | 0.289 | C | S | . | . | B | Isolated β-bridge | trans | -62.5 | 115.7 | 178.2 | 178 | 0 | 0 | 0 | 0 | 110.6 | S252 G254 S322 C323 N324 | S252-C320 CarbonylContact O-C 3.54Å; S252-C320 WeakPolarHBondContact O-CA 3.29Å; G254-C320 PolarHBondContact N-SG 3.42Å; C320-S322 VanDerWaalsContact C-N 3.3Å; C320-S322 PolarHBondContact O-N 3.46Å; C320-C323 HydrophobicContact CB-CB 3.95Å; C320-C323 PolarHBondContact O-N 2.83Å; C320-N324 PolarHBondContact O-N 3.43Å; C320-N324 PolarHBondContact O-ND2 2.95Å |
| 321 | T | 98.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -34.4 | -177.6 | 44.2 | 0 | 0 | 0 | 0 | 113 | D198 P251 S252 V253 P319 F328 R333 | D198-T321 WeakPolarHBondContact CA-OG1 3.18Å; D198-T321 PolarHBondContact OD1-OG1 2.95Å; P251-T321 HydrophobicContact CB-CG2 3.77Å; S252-T321 PolarHBondContact O-N 3.02Å; S252-T321 PolarHBondContact O-OG1 3.17Å; V253-T321 PolarHBondContact N-OG1 3.36Å; P319-T321 PolarHBondContact O-N 3.39Å; P319-T321 VanDerWaalsContact O-N 3.15Å; T321-F328 HydrophobicContact CG2-CB 3.81Å; T321-F328 HydrophobicContact CG2-CG 4.03Å; T321-R333 PolarHBondContact O-NH1 3.44Å |
| 322 | S | 98 | Very high | 94.4 | Very high | 19 Ų | 19 | 49.7 Ų | 49.7 | 13% | 0.133 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -46.3 | 176.8 | -175.5 | 0 | 0 | 0 | 0 | 111.8 | C320 N324 R333 | C320-S322 VanDerWaalsContact C-N 3.3Å; C320-S322 PolarHBondContact O-N 3.46Å; S322-N324 VanDerWaalsContact C-N 3.29Å; S322-N324 PolarHBondContact O-N 3.07Å; S322-R333 PolarHBondContact O-NH1 3.26Å |
| 323 | C | 98.2 | Very high | 95.1 | Very high | 68 Ų | 68 | 48.3 Ų | 48.3 | 46% | 0.459 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -20.4 | -179.3 | -66.2 | 0 | 0 | 0 | 0 | 114.6 | C256 C257 C320 P325 | C256-C323 VanDerWaalsContact SG-SG 3.65Å; C257-C323 PolarHBondContact SG-SG 2.84Å; C320-C323 HydrophobicContact CB-CB 3.95Å; C320-C323 PolarHBondContact O-N 2.83Å; C323-P325 WeakPolarHBondContact O-CD 3.22Å |
| 324 | N | 97.7 | Very high | 95.4 | Very high | 58 Ų | 58 | 44.7 Ų | 44.7 | 31% | 0.31 | 25% | 0.248 | S | C | . | . | trans | -115.6 | 69.1 | -173.4 | -64.9 | -80.8 | 0 | 0 | 0 | 110.8 | C320 S322 D326 D327 F328 | C320-N324 PolarHBondContact O-N 3.43Å; C320-N324 PolarHBondContact O-ND2 2.95Å; S322-N324 VanDerWaalsContact C-N 3.29Å; S322-N324 PolarHBondContact O-N 3.07Å; N324-D326 VanDerWaalsContact C-N 3.28Å; N324-D326 PolarHBondContact O-N 3.21Å; N324-D327 HydrophobicContact CB-CB 4.49Å; N324-D327 PolarHBondContact O-N 3.02Å; N324-F328 HydrophobicContact CB-CD2 3.86Å; N324-F328 HydrophobicContact CB-CE2 4.25Å; N324-F328 PolarHBondContact O-N 3.48Å | ||
| 325 | P | 96.8 | Very high | 95.5 | Very high | 52 Ų | 52 | 42.5 Ų | 42.5 | 34% | 0.338 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -25.3 | -173.2 | 28.1 | -36.5 | 0 | 0 | 0 | 114.4 | R112 C323 D327 R333 | R112-P325 WeakPolarHBondContact CD-O 3.25Å; R112-P325 PolarHBondContact NH1-O 3.38Å; C323-P325 WeakPolarHBondContact O-CD 3.22Å; P325-D327 VanDerWaalsContact C-N 3.3Å; P325-R333 VanDerWaalsContact CA-NH1 3.28Å |
| 326 | D | 96.1 | Very high | 95.2 | Very high | 127 Ų | 127 | 45.7 Ų | 45.7 | 68% | 0.679 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -27.7 | 178.1 | -65.6 | -34.5 | 0 | 0 | 0 | 112 | R112 N324 | R112-D326 WeakPolarHBondContact CD-O 3.45Å; R112-D326 WeakPolarHBondContact CG-O 3.47Å; N324-D326 VanDerWaalsContact C-N 3.28Å; N324-D326 PolarHBondContact O-N 3.21Å |
| 327 | D | 97.2 | Very high | 95.2 | Very high | 43 Ų | 43 | 43.4 Ų | 43.4 | 23% | 0.23 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.2 | -29.3 | -175 | -62.8 | -37.1 | 0 | 0 | 0 | 113.3 | R94 T111 R112 N324 P325 | R94-D327 IonicContact CZ-OD1 3.31Å; R94-D327 IonicContact NH1-OD1 2.94Å; R94-D327 PolarHBondContact NH1-OD1 2.95Å; R94-D327 IonicContact NH2-OD1 2.86Å; R94-D327 PolarHBondContact NH2-OD1 3.29Å; T111-D327 CarbonylContact C-O 3.5Å; T111-D327 WeakPolarHBondContact CA-O 3.19Å; T111-D327 VanDerWaalsContact CB-O 3.25Å; T111-D327 WeakPolarHBondContact CB-O 3.25Å; R112-D327 WeakPolarHBondContact CG-O 3.41Å; R112-D327 PolarHBondContact N-O 3.36Å; N324-D327 HydrophobicContact CB-CB 4.49Å; N324-D327 PolarHBondContact O-N 3.02Å; P325-D327 VanDerWaalsContact C-N 3.3Å |
| 328 | F | 98.3 | Very high | 95.2 | Very high | 4 Ų | 4 | 44.8 Ų | 44.8 | 2% | 0.018 | 25% | 0.25 | C | C | . | . | trans | -136.9 | 151.3 | -171.3 | -54.8 | -70.7 | 0 | 0 | 0 | 114.9 | L96 T111 R112 P251 P319 T321 N324 R333 | L96-F328 HydrophobicContact CD1-CZ 4.06Å; T111-F328 HydrophobicContact CG2-CE1 3.82Å; T111-F328 HydrophobicContact CG2-CZ 4.1Å; R112-F328 PolarHBondContact NH1-O 3.3Å; P251-F328 HydrophobicContact CB-CD1 3.76Å; P251-F328 HydrophobicContact CB-CD2 4.46Å; P251-F328 HydrophobicContact CB-CE1 3.59Å; P251-F328 HydrophobicContact CB-CE2 4.32Å; P251-F328 HydrophobicContact CB-CG 4.22Å; P251-F328 HydrophobicContact CB-CZ 3.9Å; P251-F328 HydrophobicContact CG-CD1 4.01Å; P251-F328 HydrophobicContact CG-CE1 3.34Å; P251-F328 HydrophobicContact CG-CE2 4.48Å; P251-F328 HydrophobicContact CG-CZ 3.63Å; P319-F328 HydrophobicContact CB-CE2 4.05Å; P319-F328 HydrophobicContact CG-CD2 4.37Å; P319-F328 HydrophobicContact CG-CE2 3.38Å; P319-F328 HydrophobicContact CG-CZ 3.57Å; T321-F328 HydrophobicContact CG2-CB 3.81Å; T321-F328 HydrophobicContact CG2-CG 4.03Å; N324-F328 HydrophobicContact CB-CD2 3.86Å; N324-F328 HydrophobicContact CB-CE2 4.25Å; N324-F328 PolarHBondContact O-N 3.48Å; F328-R333 PolarHBondContact O-NH2 3.13Å | ||
| 329 | F | 98.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 25% | 0.248 | C | C | . | . | trans | -79.1 | 149.3 | 164 | -54.3 | -72 | 0 | 0 | 0 | 110.3 | R112 T121 L122 S123 N126 A197 G339 Q341 | R112-F329 HydrophobicContact CB-CD1 4.33Å; R112-F329 HydrophobicContact CB-CD2 3.92Å; R112-F329 HydrophobicContact CB-CE1 4.01Å; R112-F329 HydrophobicContact CB-CE2 3.56Å; R112-F329 HydrophobicContact CB-CG 4.3Å; R112-F329 HydrophobicContact CB-CZ 3.62Å; T121-F329 WeakPolarHBondContact O-CD1 3.49Å; L122-F329 WeakPolarHBondContact O-CE1 3.3Å; L122-F329 WeakPolarHBondContact O-CZ 3.45Å; S123-F329 VanDerWaalsContact O-CE1 3.25Å; S123-F329 WeakPolarHBondContact O-CE1 3.36Å; N126-F329 HydrophobicContact CB-CZ 4.31Å; A197-F329 HydrophobicContact CB-CB 4.3Å; F329-G339 WeakPolarHBondContact CB-O 3.48Å; F329-G339 VanDerWaalsContact CD2-C 3.4Å; F329-G339 WeakPolarHBondContact CG-O 3.48Å; F329-Q341 VanDerWaalsContact CB-OE1 3.24Å; F329-Q341 VanDerWaalsContact CD2-OE1 3.27Å; F329-Q341 PolarHBondContact O-NE2 3.2Å; F329-Q341 PolarHBondContact O-OE1 3.33Å | ||
| 330 | S | 98 | Very high | 95.3 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 24% | 0.242 | C | C | . | . | trans | -147.7 | 125.5 | 179.4 | 171.8 | 0 | 0 | 0 | 0 | 110 | D198 R333 D334 | D198-S330 VanDerWaalsContact CG-OG 3.22Å; D198-S330 WeakPolarHBondContact OD1-CA 3.45Å; D198-S330 WeakPolarHBondContact OD1-CB 3.46Å; D198-S330 PolarHBondContact OD1-OG 3.27Å; D198-S330 PolarHBondContact OD2-OG 2.96Å; S330-R333 PolarHBondContact OG-N 3.42Å; S330-D334 PolarHBondContact N-OD2 2.65Å; S330-D334 WeakPolarHBondContact O-CA 3.31Å; S330-D334 WeakPolarHBondContact O-CB 3.21Å; S330-D334 VanDerWaalsContact O-CG 3.24Å; S330-D334 PolarHBondContact O-N 2.83Å | ||
| 331 | H | 95.9 | Very high | 95.3 | Very high | 83 Ų | 83 | 43 Ų | 43 | 38% | 0.384 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -69.2 | -41 | 172.5 | 167.4 | -94.8 | 0 | 0 | 0 | 112.3 | A197 D198 R333 D334 G335 F338 | A197-H331 PolarHBondContact O-N 2.99Å; D198-H331 WeakPolarHBondContact OD2-CA 3.24Å; D198-H331 PolarHBondContact OD2-N 3.01Å; H331-R333 PolarHBondContact O-N 3.33Å; H331-D334 PolarHBondContact O-N 2.86Å; H331-G335 PolarHBondContact CD2-O 3.31Å; H331-G335 WeakPolarHBondContact O-CA 3.47Å; H331-G335 PolarHBondContact O-N 2.72Å; H331-F338 HydrophobicContact CB-CD1 4.07Å; H331-F338 HydrophobicContact CB-CD2 4.19Å; H331-F338 HydrophobicContact CB-CE1 4Å; H331-F338 HydrophobicContact CB-CE2 4.19Å; H331-F338 HydrophobicContact CB-CG 4.15Å; H331-F338 HydrophobicContact CB-CZ 4.05Å; H331-F338 AromaticContact CD2-CD1 3.82Å; H331-F338 AromaticContact CD2-CE1 3.5Å |
| 332 | V | 96.3 | Very high | 95.3 | Very high | 65 Ų | 65 | 43.1 Ų | 43.1 | 39% | 0.394 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -56.2 | -40.9 | 176.1 | 169.3 | 0 | 0 | 0 | 0 | 110.5 | D198 V253 F258 | D198-V332 HydrophobicContact CB-CG2 4.36Å; D198-V332 WeakPolarHBondContact OD2-CB 3.34Å; D198-V332 WeakPolarHBondContact OD2-CG2 3.14Å; D198-V332 PolarHBondContact OD2-N 3.31Å; V253-V332 HydrophobicContact CG2-CG2 4.33Å; F258-V332 HydrophobicContact CD2-CG2 4.35Å |
| 333 | R | 96.2 | Very high | 95.4 | Very high | 72 Ų | 72 | 42.2 Ų | 42.2 | 27% | 0.272 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -83.2 | -47.5 | 177 | -174.5 | -172.5 | 61.2 | -124 | -4.3 | 113.3 | T321 S322 P325 F328 S330 H331 | T321-R333 PolarHBondContact O-NH1 3.44Å; S322-R333 PolarHBondContact O-NH1 3.26Å; P325-R333 VanDerWaalsContact CA-NH1 3.28Å; F328-R333 PolarHBondContact O-NH2 3.13Å; S330-R333 PolarHBondContact OG-N 3.42Å; H331-R333 PolarHBondContact O-N 3.33Å |
| 334 | D | 93 | Very high | 95.4 | Very high | 43 Ų | 43 | 39 Ų | 39 | 23% | 0.23 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -99.4 | -5.6 | -164.4 | -52.7 | -37.6 | 0 | 0 | 0 | 113.6 | T121 S330 H331 F338 | T121-D334 HydrophobicContact CG2-CB 4.25Å; S330-D334 PolarHBondContact N-OD2 2.65Å; S330-D334 WeakPolarHBondContact O-CA 3.31Å; S330-D334 WeakPolarHBondContact O-CB 3.21Å; S330-D334 VanDerWaalsContact O-CG 3.24Å; S330-D334 PolarHBondContact O-N 2.83Å; H331-D334 PolarHBondContact O-N 2.86Å; D334-F338 HydrophobicContact CB-CB 4.24Å |
| 335 | G | 89.8 | Confident | 95.4 | Very high | 32 Ų | 32 | 36.3 Ų | 36.3 | 33% | 0.33 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.8 | -147.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | H331 N337 F338 | H331-G335 PolarHBondContact CD2-O 3.31Å; H331-G335 WeakPolarHBondContact O-CA 3.47Å; H331-G335 PolarHBondContact O-N 2.72Å; G335-N337 PolarHBondContact O-N 2.95Å; G335-F338 WeakPolarHBondContact O-CD1 3.22Å |
| 336 | L | 83.4 | Confident | 95.5 | Very high | 154 Ų | 154 | 35.2 Ų | 35.2 | 81% | 0.806 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -25.1 | -166.6 | -66.9 | 174.7 | 0 | 0 | 0 | 115.3 | ||
| 337 | N | 85.7 | Confident | 95.6 | Very high | 42 Ų | 42 | 29.8 Ų | 29.8 | 23% | 0.225 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -106.9 | 73.2 | -178.9 | -175.6 | 50.9 | 0 | 0 | 0 | 110 | T121 G335 | T121-N337 WeakPolarHBondContact CB-O 3.46Å; T121-N337 PolarHBondContact OG1-ND2 2.69Å; T121-N337 PolarHBondContact OG1-O 2.8Å; G335-N337 PolarHBondContact O-N 2.95Å |
| 338 | F | 93.3 | Very high | 95.4 | Very high | 33 Ų | 33 | 31.2 Ų | 31.2 | 15% | 0.145 | 16% | 0.16 | C | C | . | . | trans | -113.2 | 149.7 | -175.9 | 62.3 | -78.2 | 0 | 0 | 0 | 111.5 | L122 R133 A197 H331 D334 G335 | L122-F338 WeakPolarHBondContact CD2-O 3.35Å; R133-F338 PolarHBondContact NH1-O 3.45Å; A197-F338 HydrophobicContact CB-CD2 3.43Å; A197-F338 VanDerWaalsContact CB-CD2 3.43Å; A197-F338 HydrophobicContact CB-CE2 3.5Å; H331-F338 HydrophobicContact CB-CD1 4.07Å; H331-F338 HydrophobicContact CB-CD2 4.19Å; H331-F338 HydrophobicContact CB-CE1 4Å; H331-F338 HydrophobicContact CB-CE2 4.19Å; H331-F338 HydrophobicContact CB-CG 4.15Å; H331-F338 HydrophobicContact CB-CZ 4.05Å; H331-F338 AromaticContact CD2-CD1 3.82Å; H331-F338 AromaticContact CD2-CE1 3.5Å; D334-F338 HydrophobicContact CB-CB 4.24Å; G335-F338 WeakPolarHBondContact O-CD1 3.22Å | ||
| 339 | G | 96.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.193 | C | C | . | . | trans | -71.9 | 169.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | T121 N126 F329 | T121-G339 PolarHBondContact O-N 2.94Å; N126-G339 WeakPolarHBondContact OD1-CA 3.18Å; F329-G339 WeakPolarHBondContact CB-O 3.48Å; F329-G339 VanDerWaalsContact CD2-C 3.4Å; F329-G339 WeakPolarHBondContact CG-O 3.48Å | ||
| 340 | T | 97.3 | Very high | 93.6 | Very high | 6 Ų | 6 | 44 Ų | 44 | 4% | 0.037 | 23% | 0.233 | C | C | . | . | trans | -135.5 | 125.2 | -178 | -60.3 | 0 | 0 | 0 | 0 | 110.2 | N126 L127 F128 R133 Q195 | N126-T340 PolarHBondContact OD1-N 2.93Å; L127-T340 WeakPolarHBondContact CB-O 3.43Å; L127-T340 PolarHBondContact N-O 3.17Å; F128-T340 HydrophobicContact CB-CG2 4.04Å; R133-T340 PolarHBondContact NH1-OG1 3.48Å; Q195-T340 HydrophobicContact CB-CG2 3.96Å; Q195-T340 HydrophobicContact CG-CG2 4.31Å | ||
| 341 | Q | 98.1 | Very high | 91.5 | Very high | 2 Ų | 2 | 47.2 Ų | 47.2 | 1% | 0.009 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 167.4 | 167.1 | 57.8 | -89.5 | 1 | 0 | 0 | 110.5 | S110 G196 F329 | S110-Q341 VanDerWaalsContact O-CB 3.28Å; S110-Q341 WeakPolarHBondContact O-CB 3.32Å; S110-Q341 WeakPolarHBondContact OG-CB 3.42Å; G196-Q341 PolarHBondContact N-O 2.64Å; G196-Q341 WeakPolarHBondContact O-CG 3.37Å; G196-Q341 PolarHBondContact O-N 3.3Å; G196-Q341 PolarHBondContact O-NE2 3.36Å; F329-Q341 VanDerWaalsContact CB-OE1 3.24Å; F329-Q341 VanDerWaalsContact CD2-OE1 3.27Å; F329-Q341 PolarHBondContact O-NE2 3.2Å; F329-Q341 PolarHBondContact O-OE1 3.33Å |
| 342 | V | 98.3 | Very high | 88.8 | Confident | 2 Ų | 2 | 51.8 Ų | 51.8 | 1% | 0.012 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 146.7 | 176 | -53.7 | 0 | 0 | 0 | 0 | 111.5 | F109 S110 L127 L147 L160 A193 G194 Q195 F344 | F109-V342 WeakPolarHBondContact CA-O 3.36Å; S110-V342 PolarHBondContact N-O 3.48Å; S110-V342 PolarHBondContact OG-N 3Å; S110-V342 PolarHBondContact OG-O 2.93Å; L127-V342 HydrophobicContact CB-CG1 3.99Å; L127-V342 HydrophobicContact CD1-CB 4.22Å; L127-V342 HydrophobicContact CD1-CG1 3.96Å; L127-V342 HydrophobicContact CD1-CG2 3.54Å; L147-V342 HydrophobicContact CD2-CG2 4Å; L160-V342 HydrophobicContact CD2-CG1 3.83Å; A193-V342 HydrophobicContact CB-CB 4.28Å; A193-V342 HydrophobicContact CB-CG2 4.41Å; G194-V342 CarbonylContact O-C 3.52Å; G194-V342 VanDerWaalsContact O-CA 3.24Å; G194-V342 WeakPolarHBondContact O-CA 3.36Å; Q195-V342 HydrophobicContact CG-CG1 4.45Å; V342-F344 HydrophobicContact CG2-CB 4.48Å; V342-F344 HydrophobicContact CG2-CD1 4.04Å |
| 343 | G | 98.5 | Very high | 86 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 133.8 | 154.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | G108 A193 G194 | G108-G343 CarbonylContact O-C 3.57Å; G108-G343 WeakPolarHBondContact O-CA 3.27Å; A193-G343 CarbonylContact C-O 3.52Å; A193-G343 WeakPolarHBondContact CA-O 3.48Å; G194-G343 PolarHBondContact N-O 3.28Å; G194-G343 PolarHBondContact O-N 3.49Å |
| 344 | F | 98.6 | Very high | 83.1 | Confident | 2 Ų | 2 | 60.5 Ų | 60.5 | 1% | 0.009 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 147 | -177.5 | 58.1 | -86.7 | 0 | 0 | 0 | 111.7 | T95 H107 G108 L147 A151 F153 V191 L192 A193 L203 V342 W346 | T95-F344 HydrophobicContact CG2-CE1 4.07Å; T95-F344 HydrophobicContact CG2-CZ 3.91Å; H107-F344 CarbonylContact C-O 3.33Å; H107-F344 WeakPolarHBondContact CA-O 3.29Å; H107-F344 WeakPolarHBondContact CB-O 3.4Å; G108-F344 VanDerWaalsContact C-CE1 3.48Å; G108-F344 PolarHBondContact N-O 3.28Å; G108-F344 WeakPolarHBondContact O-CD1 3.46Å; G108-F344 WeakPolarHBondContact O-CE1 3.43Å; G108-F344 PolarHBondContact O-N 2.92Å; L147-F344 HydrophobicContact CD1-CE1 3.91Å; L147-F344 HydrophobicContact CD1-CZ 4.19Å; L147-F344 HydrophobicContact CD2-CD1 4.23Å; L147-F344 HydrophobicContact CD2-CE1 4.27Å; L147-F344 HydrophobicContact CG-CE1 4.45Å; A151-F344 HydrophobicContact CB-CE2 3.62Å; A151-F344 HydrophobicContact CB-CZ 3.85Å; F153-F344 HydrophobicContact CD1-CD2 4.42Å; F153-F344 HydrophobicContact CD1-CE2 4.48Å; F153-F344 AromaticContact CE1-CD2 3.79Å; F153-F344 HydrophobicContact CE1-CD2 3.79Å; F153-F344 AromaticContact CE1-CE2 3.93Å; F153-F344 HydrophobicContact CE1-CE2 3.93Å; F153-F344 HydrophobicContact CE1-CG 4.44Å; V191-F344 HydrophobicContact CG1-CB 4.13Å; L192-F344 CarbonylContact O-C 3.53Å; L192-F344 VanDerWaalsContact O-CA 3.23Å; L192-F344 WeakPolarHBondContact O-CA 3.37Å; A193-F344 HydrophobicContact CB-CB 4.31Å; L203-F344 WeakPolarHBondContact CD1-O 3.4Å; V342-F344 HydrophobicContact CG2-CB 4.48Å; V342-F344 HydrophobicContact CG2-CD1 4.04Å; F344-W346 HydrophobicContact CD2-CE3 4.24Å; F344-W346 AromaticContact CD2-CZ3 3.73Å; F344-W346 HydrophobicContact CD2-CZ3 3.73Å; F344-W346 AromaticContact CE2-CZ3 3.76Å; F344-W346 HydrophobicContact CE2-CZ3 3.76Å |
| 345 | L | 98.4 | Very high | 80.3 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 138.9 | -175.7 | 178.8 | 66.5 | 0 | 0 | 0 | 111.2 | I101 F105 G106 H107 L192 L203 F204 A205 I212 | I101-L345 HydrophobicContact CD1-CD1 4.5Å; I101-L345 HydrophobicContact CG2-CD1 4.03Å; F105-L345 HydrophobicContact CB-CD1 3.81Å; F105-L345 HydrophobicContact CG-CD1 4.43Å; G106-L345 CarbonylContact O-C 3.51Å; G106-L345 VanDerWaalsContact O-CA 3.29Å; G106-L345 WeakPolarHBondContact O-CA 3.17Å; G106-L345 WeakPolarHBondContact O-CD1 3.24Å; H107-L345 HydrophobicContact CB-CD1 3.73Å; L192-L345 PolarHBondContact N-O 3.33Å; L192-L345 PolarHBondContact O-N 3.14Å; L203-L345 HydrophobicContact CB-CD2 4.29Å; L203-L345 HydrophobicContact CD1-CB 4.32Å; L203-L345 HydrophobicContact CD2-CB 3.99Å; F204-L345 WeakPolarHBondContact O-CD2 3.46Å; A205-L345 HydrophobicContact CB-CD2 4.45Å; I212-L345 HydrophobicContact CB-CD2 3.6Å; I212-L345 HydrophobicContact CB-CG 3.97Å; I212-L345 HydrophobicContact CD1-CG 4.33Å; I212-L345 HydrophobicContact CG2-CD1 4.37Å; I212-L345 HydrophobicContact CG2-CD2 3.76Å; I212-L345 HydrophobicContact CG2-CG 3.89Å |
| 346 | W | 98.2 | Very high | 77.6 | Confident | 29 Ų | 29 | 65.8 Ų | 65.8 | 11% | 0.11 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 159.5 | 173 | 74.7 | 102.6 | 0 | 0 | 0 | 112.2 | F105 G106 A151 F153 V190 V191 F344 | F105-W346 CarbonylContact C-O 3.48Å; F105-W346 VanDerWaalsContact CA-O 3.24Å; F105-W346 WeakPolarHBondContact CA-O 3.46Å; F105-W346 WeakPolarHBondContact CB-O 3.49Å; G106-W346 PolarHBondContact N-O 2.87Å; G106-W346 WeakPolarHBondContact O-CZ3 3.47Å; G106-W346 PolarHBondContact O-N 3.26Å; A151-W346 HydrophobicContact CB-CH2 4.45Å; A151-W346 WeakPolarHBondContact O-CH2 3.33Å; F153-W346 HydrophobicContact CB-CD2 4.41Å; F153-W346 HydrophobicContact CB-CH2 4.46Å; F153-W346 HydrophobicContact CB-CZ2 4.16Å; F153-W346 HydrophobicContact CD1-CE3 4.19Å; F153-W346 AromaticContact CD1-CH2 3.96Å; F153-W346 HydrophobicContact CD1-CH2 3.96Å; F153-W346 HydrophobicContact CD1-CZ2 4.5Å; F153-W346 AromaticContact CD1-CZ3 3.79Å; F153-W346 HydrophobicContact CD1-CZ3 3.79Å; F153-W346 HydrophobicContact CE1-CZ3 4.44Å; V190-W346 VanDerWaalsContact O-CB 3.25Å; V190-W346 WeakPolarHBondContact O-CB 3.36Å; V191-W346 HydrophobicContact CB-CB 4.29Å; V191-W346 HydrophobicContact CG1-CB 4.37Å; V191-W346 HydrophobicContact CG1-CE3 4.22Å; V191-W346 HydrophobicContact CG2-CB 3.89Å; V191-W346 HydrophobicContact CG2-CG 4.21Å; F344-W346 HydrophobicContact CD2-CE3 4.24Å; F344-W346 AromaticContact CD2-CZ3 3.73Å; F344-W346 HydrophobicContact CD2-CZ3 3.73Å; F344-W346 AromaticContact CE2-CZ3 3.76Å; F344-W346 HydrophobicContact CE2-CZ3 3.76Å |
| 347 | I | 97.6 | Very high | 75.4 | Confident | 13 Ų | 13 | 64.5 Ų | 64.5 | 7% | 0.067 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 121.8 | 171.7 | -51.2 | 174.9 | 0 | 0 | 0 | 107.9 | F105 D186 T188 K210 I212 | F105-I347 HydrophobicContact CD1-CB 4.41Å; F105-I347 HydrophobicContact CD1-CG1 4.07Å; F105-I347 HydrophobicContact CE1-CG1 4.02Å; F105-I347 HydrophobicContact CE1-CG2 4.47Å; D186-I347 WeakPolarHBondContact O-CD1 3.12Å; T188-I347 HydrophobicContact CG2-CB 4.05Å; T188-I347 HydrophobicContact CG2-CG2 3.83Å; K210-I347 WeakPolarHBondContact O-CD1 3.23Å; I212-I347 HydrophobicContact CD1-CG1 4.06Å; I212-I347 HydrophobicContact CG1-CD1 4.43Å; I212-I347 HydrophobicContact CG1-CG1 4.15Å; I212-I347 HydrophobicContact CG2-CG1 3.87Å |
| 348 | K | 94.6 | Very high | 73.1 | Confident | 74 Ų | 74 | 71.5 Ų | 71.5 | 32% | 0.322 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -72.7 | 139.5 | 174.8 | -65.3 | -174.4 | -169.5 | 152.6 | 0 | 109.1 | D103 C104 F105 S350 | D103-K348 VanDerWaalsContact O-CD 3.3Å; D103-K348 WeakPolarHBondContact O-CD 3.35Å; D103-K348 WeakPolarHBondContact O-CE 3.39Å; D103-K348 PolarHBondContact O-NZ 2.78Å; C104-K348 WeakPolarHBondContact O-CB 3.42Å; C104-K348 PolarHBondContact O-N 2.95Å; F105-K348 WeakPolarHBondContact O-CE 3.24Å; F105-K348 PolarHBondContact O-NZ 3.47Å; K348-S350 PolarHBondContact O-N 3.26Å |
| 349 | E | 85.9 | Confident | 70.5 | Confident | 150 Ų | 150 | 75 Ų | 75 | 70% | 0.701 | 44% | 0.438 | S | S | * | . | P | Polyproline II helix | trans | -62.8 | 132 | 167.7 | -65.8 | -179.2 | -178.1 | 0 | 0 | 108.2 | G351 | E349-G351 PolarHBondContact O-N 2.87Š|
| 350 | S | 72.4 | Confident | 67.8 | Low | 121 Ų | 121 | 84 Ų | 84 | 85% | 0.846 | 48% | 0.48 | S | S | * | . | trans | -65.3 | 110.9 | 172.1 | -57.7 | 0 | 0 | 0 | 0 | 105.5 | K348 E352 | K348-S350 PolarHBondContact O-N 3.26Å; S350-E352 PolarHBondContact O-N 3.48Å | ||
| 351 | G | 53.9 | Low | 65.1 | Low | 68 Ų | 68 | 92 Ų | 92 | 70% | 0.701 | 52% | 0.519 | S | S | * | . | trans | -52.9 | 122.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | E349 Q353 | E349-G351 PolarHBondContact O-N 2.87Å; G351-Q353 PolarHBondContact O-N 3.36Å | ||
| 352 | E | 38.6 | Very low | 62.3 | Low | 179 Ų | 179 | 95.6 Ų | 95.6 | 84% | 0.836 | 56% | 0.557 | S | S | * | * | trans | -50.2 | 116.9 | 155.7 | -77.6 | 179.7 | 150.9 | 0 | 0 | 105.2 | S350 V354 | S350-E352 PolarHBondContact O-N 3.48Å; E352-V354 PolarHBondContact O-N 3.07Å | ||
| 353 | Q | 37.1 | Very low | 59.6 | Low | 187 Ų | 187 | 103.7 Ų | 103.7 | 87% | 0.874 | 59% | 0.594 | S | S | * | * | trans | -58.4 | 99.2 | 162.5 | -76.4 | -179.1 | -14.4 | 0 | 0 | 105 | G351 S355 | G351-Q353 PolarHBondContact O-N 3.36Å; Q353-S355 PolarHBondContact O-N 3.47Å | ||
| 354 | V | 35.9 | Very low | 56.8 | Low | 133 Ų | 133 | 113 Ų | 113 | 81% | 0.806 | 64% | 0.638 | S | S | * | * | trans | -62.2 | 95.9 | 165.1 | -180 | 0 | 0 | 0 | 0 | 104.4 | E352 A356 | E352-V354 PolarHBondContact O-N 3.07Å; V354-A356 PolarHBondContact O-N 3.12Å | ||
| 355 | S | 34.4 | Very low | 53.8 | Low | 104 Ų | 104 | 116.5 Ų | 116.5 | 73% | 0.727 | 67% | 0.674 | S | S | * | * | trans | -58.5 | 111.6 | 169.3 | 42.2 | 0 | 0 | 0 | 0 | 106.3 | Q353 | Q353-S355 PolarHBondContact O-N 3.47Š| ||
| 356 | A | 33.8 | Very low | 51.1 | Low | 83 Ų | 83 | 120 Ų | 120 | 69% | 0.686 | 71% | 0.711 | S | S | * | * | trans | -55.3 | 131 | 167 | 0 | 0 | 0 | 0 | 0 | 107.2 | V354 E358 | V354-A356 PolarHBondContact O-N 3.12Å; A356-E358 PolarHBondContact O-N 3.29Å; A356-E358 VanDerWaalsContact O-N 3.12Å | ||
| 357 | P | 36.8 | Very low | 48.8 | Very low | 127 Ų | 127 | 128.7 Ų | 128.7 | 83% | 0.825 | 77% | 0.771 | S | S | * | * | trans | -60.8 | 122.7 | 175.5 | 22.7 | -29.3 | 0 | 0 | 0 | 108 | S359 | P357-S359 PolarHBondContact O-N 3.04Š| ||
| 358 | E | 36.5 | Very low | 46.3 | Very low | 188 Ų | 188 | 134.5 Ų | 134.5 | 88% | 0.879 | 81% | 0.806 | S | S | * | * | trans | -51.8 | 113.7 | 170.4 | -73.1 | 179.9 | 152.1 | 0 | 0 | 108.3 | A356 Q360 | A356-E358 PolarHBondContact O-N 3.29Å; A356-E358 VanDerWaalsContact O-N 3.12Å; E358-Q360 PolarHBondContact O-N 2.78Å | ||
| 359 | S | 40 | Very low | 43.8 | Very low | 107 Ų | 107 | 137.6 Ų | 137.6 | 75% | 0.748 | 83% | 0.831 | S | S | * | * | trans | -62.3 | 102.4 | 167.4 | 53.4 | 0 | 0 | 0 | 0 | 107.6 | P357 M361 | P357-S359 PolarHBondContact O-N 3.04Å; S359-M361 PolarHBondContact O-N 3.1Å | ||
| 360 | Q | 38.8 | Very low | 41.4 | Very low | 190 Ų | 190 | 136.9 Ų | 136.9 | 89% | 0.888 | 84% | 0.838 | S | S | * | * | trans | -57.8 | 101.9 | 164.6 | -78.8 | -177.1 | -12.3 | 0 | 0 | 108.1 | E358 G362 | E358-Q360 PolarHBondContact O-N 2.78Å; Q360-G362 PolarHBondContact O-N 2.93Å | ||
| 361 | M | 41.8 | Very low | 39.6 | Very low | 173 Ų | 173 | 137.9 Ų | 137.9 | 85% | 0.852 | 84% | 0.838 | S | S | * | * | trans | -62.1 | 103.1 | 161.6 | -84.2 | 175.4 | 72.9 | 0 | 0 | 107.7 | S359 Q363 | S359-M361 PolarHBondContact O-N 3.1Å; M361-Q363 PolarHBondContact O-N 2.97Å | ||
| 362 | G | 37.6 | Very low | 38.7 | Very low | 78 Ų | 78 | 142.3 Ų | 142.3 | 80% | 0.804 | 85% | 0.847 | S | S | * | * | trans | -62.5 | 112.4 | 162.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | Q360 | Q360-G362 PolarHBondContact O-N 2.93Š| ||
| 363 | Q | 42.4 | Very low | 38.7 | Very low | 171 Ų | 171 | 139.8 Ų | 139.8 | 80% | 0.799 | 85% | 0.847 | S | S | * | * | trans | -86.3 | 154.5 | 153.7 | -77.7 | -174.1 | -3.1 | 0 | 0 | 109.3 | M361 | M361-Q363 PolarHBondContact O-N 2.97Š| ||
| 364 | Q | 40.1 | Very low | 38.9 | Very low | 197 Ų | 197 | 136.4 Ų | 136.4 | 92% | 0.921 | 85% | 0.845 | S | S | * | * | trans | 96.9 | 122.7 | 170.4 | -53.6 | 177.3 | 17.2 | 0 | 0 | 114.2 | ||||
| 365 | G | 36 | Very low | 39.1 | Very low | 74 Ų | 74 | 136.7 Ų | 136.7 | 76% | 0.763 | 85% | 0.848 | S | S | * | * | cis | -169.7 | 163.8 | 4 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 366 | G | 41.3 | Very low | 39.5 | Very low | 75 Ų | 75 | 139.4 Ų | 139.4 | 77% | 0.773 | 86% | 0.858 | S | S | * | * | trans | -70.6 | -174.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 367 | P | 48.8 | Very low | 40 | Very low | 210 Ų | 210 | 144.5 Ų | 144.5 | 100% | 1.364 | 87% | 0.874 | S | S | * | * | cis | -110.7 | 0 | 44.7 | 27.6 | -15.1 | 0 | 0 | 0 | 116.7 |
Retrieved 367 of 367 residues in 270.4 ms
(Link to these results)