| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 37.5 | Very low | 79.3 | Confident | 242 Ų | 242 | 74.3 Ų | 74.3 | 100% | 1.192 | 41% | 0.414 | S | S | * | . | 0 | 40.1 | 0 | -59.6 | -177.7 | -157.6 | 0 | 0 | 110.9 | |||||
| 2 | S | 44.6 | Very low | 80.8 | Confident | 100 Ų | 100 | 68.1 Ų | 68.1 | 70% | 0.699 | 38% | 0.38 | S | S | * | . | trans | -109.6 | 3 | -153.7 | 47.6 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 3 | G | 54.1 | Low | 82 | Confident | 58 Ų | 58 | 64 Ų | 64 | 60% | 0.598 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -87 | -42.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | N5 | G3-N5 VanDerWaalsContact C-N 3.33Å; G3-N5 PolarHBondContact O-N 3.22Å |
| 4 | D | 64 | Low | 83 | Confident | 159 Ų | 159 | 60.9 Ų | 60.9 | 85% | 0.85 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -15.6 | -165.5 | -110.5 | -7.2 | 0 | 0 | 0 | 114.9 | ||
| 5 | N | 84.3 | Confident | 83.8 | Confident | 120 Ų | 120 | 59.8 Ų | 59.8 | 64% | 0.642 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.4 | 0.1 | -177.6 | -85.3 | 5.8 | 0 | 0 | 0 | 114.1 | G3 | G3-N5 VanDerWaalsContact C-N 3.33Å; G3-N5 PolarHBondContact O-N 3.22Å |
| 6 | Q | 95.5 | Very high | 84.4 | Confident | 53 Ų | 53 | 64.1 Ų | 64.1 | 25% | 0.248 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -77.3 | 134.8 | 178.3 | -66.8 | -167.2 | -50 | 0 | 0 | 110.9 | R8 P29 N30 A31 T32 | Q6-R8 PolarHBondContact O-N 3.36Å; Q6-P29 PolarHBondContact NE2-O 3.4Å; Q6-N30 WeakPolarHBondContact CA-O 3.21Å; Q6-A31 PolarHBondContact NE2-O 3.31Å; Q6-T32 HydrophobicContact CB-CG2 4.07Å |
| 7 | I | 98.1 | Very high | 85 | Confident | 4 Ų | 4 | 63.5 Ų | 63.5 | 2% | 0.021 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 125.7 | 172.4 | -58.5 | -47.7 | 0 | 0 | 0 | 109.3 | I9 N30 A31 T32 D74 A75 A305 V308 | I7-I9 HydrophobicContact CG2-CG1 4.35Å; I7-N30 PolarHBondContact N-O 3.43Å; I7-A31 WeakPolarHBondContact O-CA 3.26Å; I7-T32 PolarHBondContact O-N 3.42Å; I7-D74 HydrophobicContact CG2-CB 3.93Å; I7-A75 HydrophobicContact CG2-CB 4.29Å; I7-A305 HydrophobicContact CB-CB 4.01Å; I7-A305 HydrophobicContact CG1-CB 3.87Å; I7-A305 VanDerWaalsContact CG1-O 3.28Å; I7-A305 WeakPolarHBondContact CG1-O 3.37Å; I7-V308 HydrophobicContact CD1-CB 4.36Å; I7-V308 HydrophobicContact CD1-CG1 3.84Å; I7-V308 HydrophobicContact CG1-CB 4.18Å; I7-V308 HydrophobicContact CG1-CG1 4.05Å; I7-V308 HydrophobicContact CG2-CB 4.21Å; I7-V308 HydrophobicContact CG2-CG1 3.71Å |
| 8 | R | 98.1 | Very high | 85.7 | Confident | 80 Ų | 80 | 60 Ų | 60 | 30% | 0.302 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 109.4 | -177.1 | -64.3 | -178.8 | -58.8 | -98.7 | 1.8 | 110.5 | Q6 T32 D72 D74 A75 | Q6-R8 PolarHBondContact O-N 3.36Å; R8-T32 HydrophobicContact CG-CG2 4.16Å; R8-D72 VanDerWaalsContact CB-O 3.24Å; R8-D72 WeakPolarHBondContact CB-O 3.07Å; R8-D72 WeakPolarHBondContact CD-O 3.37Å; R8-D72 PolarHBondContact NE-O 3.37Å; R8-D74 HydrophobicContact CB-CB 4.42Å; R8-D74 WeakPolarHBondContact CB-OD2 3.41Å; R8-D74 IonicContact CZ-OD1 2.73Å; R8-D74 VanDerWaalsContact CZ-OD1 3.29Å; R8-D74 IonicContact CZ-OD2 2.7Å; R8-D74 PolarHBondContact N-OD2 3.48Å; R8-D74 IonicContact NE-OD1 3.61Å; R8-D74 PolarHBondContact NE-OD1 3.48Å; R8-D74 IonicContact NE-OD2 2.69Å; R8-D74 IonicContact NH2-OD1 3.16Å; R8-D74 PolarHBondContact NH2-OD1 2.9Å; R8-D74 IonicContact NH2-OD2 2.65Å; R8-D74 WeakPolarHBondContact O-CB 3.29Å; R8-D74 PolarHBondContact O-N 3.21Å; R8-A75 PolarHBondContact O-N 2.91Å |
| 9 | I | 98.7 | Very high | 86.3 | Confident | 1 Ų | 1 | 61.9 Ų | 61.9 | 1% | 0.005 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 125.9 | -174.4 | -57.6 | 178.4 | 0 | 0 | 0 | 110.3 | I7 L11 I25 A31 T32 S34 A75 V301 | I7-I9 HydrophobicContact CG2-CG1 4.35Å; I9-L11 HydrophobicContact CG2-CD2 3.99Å; I9-I25 HydrophobicContact CB-CD1 4.25Å; I9-I25 HydrophobicContact CD1-CD1 4.13Å; I9-I25 HydrophobicContact CD1-CG1 4.11Å; I9-I25 HydrophobicContact CG2-CD1 4.01Å; I9-A31 HydrophobicContact CD1-CB 3.91Å; I9-T32 PolarHBondContact N-O 3.01Å; I9-S34 PolarHBondContact O-N 2.83Å; I9-S34 PolarHBondContact O-OG 2.91Å; I9-A75 CarbonylContact C-O 3.59Å; I9-A75 WeakPolarHBondContact CA-O 3.31Å; I9-A75 HydrophobicContact CG1-CB 4.48Å; I9-V301 HydrophobicContact CD1-CG1 4.1Å |
| 10 | G | 98.7 | Very high | 86.8 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 139.7 | 166.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | A35 A75 V76 Y77 | G10-A35 CarbonylContact C-O 3.54Å; G10-A35 WeakPolarHBondContact CA-O 3.37Å; G10-A75 PolarHBondContact N-O 2.95Å; G10-V76 WeakPolarHBondContact O-CA 3.23Å; G10-Y77 PolarHBondContact O-N 3.24Å |
| 11 | L | 98.6 | Very high | 87.2 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 127.9 | -178.6 | -56.8 | 175.4 | 0 | 0 | 0 | 110.1 | I9 V18 L21 I25 I33 A35 I36 A37 F54 Y77 | I9-L11 HydrophobicContact CG2-CD2 3.99Å; L11-V18 HydrophobicContact CB-CG1 3.95Å; L11-V18 HydrophobicContact CD1-CG1 3.79Å; L11-V18 HydrophobicContact CG-CG1 4.34Å; L11-L21 HydrophobicContact CD2-CD2 4.37Å; L11-I25 HydrophobicContact CD2-CD1 3.76Å; L11-I33 HydrophobicContact CD1-CD1 4.06Å; L11-I33 HydrophobicContact CD1-CG1 4.17Å; L11-I33 HydrophobicContact CD1-CG2 3.7Å; L11-I33 HydrophobicContact CG-CG2 4.25Å; L11-A35 PolarHBondContact N-O 3.26Å; L11-I36 HydrophobicContact CB-CB 4.44Å; L11-I36 HydrophobicContact CB-CG1 4.27Å; L11-I36 CarbonylContact O-C 3.44Å; L11-I36 VanDerWaalsContact O-CA 3.3Å; L11-I36 WeakPolarHBondContact O-CA 3.28Å; L11-A37 PolarHBondContact O-N 2.77Å; L11-F54 HydrophobicContact CD1-CE2 3.86Å; L11-F54 HydrophobicContact CD1-CZ 3.58Å; L11-Y77 HydrophobicContact CD2-CD1 4.2Å |
| 12 | L | 97.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 131.9 | 172.2 | -56.5 | -171.6 | 0 | 0 | 0 | 111 | V18 A37 Y64 L67 V76 Y77 F78 P79 I80 | L12-V18 WeakPolarHBondContact O-CG2 3.39Å; L12-A37 HydrophobicContact CD2-CB 4.1Å; L12-Y64 HydrophobicContact CB-CD1 4.38Å; L12-Y64 HydrophobicContact CB-CE1 4.26Å; L12-Y64 HydrophobicContact CD1-CG 4.35Å; L12-Y64 HydrophobicContact CD2-CD1 3.85Å; L12-Y64 HydrophobicContact CD2-CG 4.13Å; L12-Y64 HydrophobicContact CG-CD1 4.5Å; L12-L67 HydrophobicContact CD2-CD1 4.25Å; L12-L67 HydrophobicContact CD2-CD2 4.03Å; L12-V76 HydrophobicContact CD1-CG1 4.1Å; L12-V76 HydrophobicContact CD2-CG1 3.98Å; L12-V76 HydrophobicContact CG-CG1 3.71Å; L12-Y77 PolarHBondContact N-O 2.93Å; L12-Y77 VanDerWaalsContact N-O 3.15Å; L12-F78 HydrophobicContact CD1-CD1 3.35Å; L12-F78 HydrophobicContact CD1-CE1 3.58Å; L12-F78 HydrophobicContact CD1-CG 4.1Å; L12-F78 HydrophobicContact CD1-CZ 4.49Å; L12-F78 HydrophobicContact CG-CD1 4.45Å; L12-P79 WeakPolarHBondContact O-CD 3.33Å; L12-P79 VanDerWaalsContact O-CG 3.26Å; L12-P79 WeakPolarHBondContact O-CG 3.14Å; L12-I80 HydrophobicContact CB-CG2 4.15Å |
| 13 | S | 96.3 | Very high | 92.6 | Very high | 15 Ų | 15 | 49.3 Ų | 49.3 | 11% | 0.105 | 25% | 0.252 | C | S | . | . | S | Bend | trans | 68.9 | 167.9 | 178.9 | -51.4 | 0 | 0 | 0 | 0 | 115.8 | V18 A37 Y64 | S13-V18 WeakPolarHBondContact O-CG2 3.29Å; S13-A37 VanDerWaalsContact CA-O 3.32Å; S13-A37 WeakPolarHBondContact CA-O 3.39Å; S13-A37 PolarHBondContact N-O 3.27Å; S13-Y64 PolarHBondContact OG-OH 3.1Å |
| 14 | C | 95.5 | Very high | 94.6 | Very high | 20 Ų | 20 | 46.6 Ų | 46.6 | 14% | 0.135 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -107.7 | 55 | 179 | -70 | 0 | 0 | 0 | 0 | 111.7 | E44 F48 | C14-E44 HydrophobicContact CB-CG 4.03Å; C14-F48 VanDerWaalsContact C-CE2 3.42Å; C14-F48 HydrophobicContact CB-CB 4.1Å; C14-F48 HydrophobicContact CB-CD2 3.55Å; C14-F48 HydrophobicContact CB-CE2 4.06Å; C14-F48 HydrophobicContact CB-CG 3.8Å; C14-F48 WeakPolarHBondContact O-CE2 3.45Å |
| 15 | T | 94.5 | Very high | 96.2 | Very high | 45 Ų | 45 | 39 Ų | 39 | 28% | 0.276 | 18% | 0.183 | S | C | . | . | trans | -96.4 | 167.1 | -173 | 73 | 0 | 0 | 0 | 0 | 113.6 | K17 V18 R19 F48 | T15-K17 PolarHBondContact O-N 3.12Å; T15-K17 PolarHBondContact OG1-N 2.95Å; T15-V18 WeakPolarHBondContact O-CB 3.21Å; T15-V18 PolarHBondContact O-N 3.46Å; T15-V18 VanDerWaalsContact O-N 3.16Å; T15-V18 PolarHBondContact OG1-N 3.32Å; T15-R19 PolarHBondContact O-N 2.9Å; T15-F48 WeakPolarHBondContact O-CZ 3.43Å | ||
| 16 | N | 94 | Very high | 96.7 | Very high | 128 Ų | 128 | 37 Ų | 37 | 68% | 0.684 | 17% | 0.173 | S | C | * | . | H | α-helix | trans | -61.5 | -30.2 | 171.3 | -76.1 | -24.6 | 0 | 0 | 0 | 112.9 | R19 K20 | N16-R19 WeakPolarHBondContact O-CB 3.06Å; N16-R19 PolarHBondContact O-N 3.12Å; N16-K20 PolarHBondContact O-N 3.36Å |
| 17 | K | 94.7 | Very high | 96.7 | Very high | 55 Ų | 55 | 37.9 Ų | 37.9 | 24% | 0.239 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -66 | -42.8 | 173.6 | -62.3 | -175.5 | -176.5 | 167.8 | 0 | 111.1 | T15 R19 K20 L21 P79 D102 | T15-K17 PolarHBondContact O-N 3.12Å; T15-K17 PolarHBondContact OG1-N 2.95Å; K17-R19 VanDerWaalsContact C-N 3.31Å; K17-R19 PolarHBondContact O-N 3.47Å; K17-K20 PolarHBondContact O-N 2.98Å; K17-L21 PolarHBondContact O-N 3.29Å; K17-P79 HydrophobicContact CB-CB 3.96Å; K17-P79 HydrophobicContact CD-CB 4.19Å; K17-D102 WeakPolarHBondContact CD-OD2 3.33Å; K17-D102 VanDerWaalsContact CE-OD2 3.28Å; K17-D102 WeakPolarHBondContact CE-OD2 3.18Å; K17-D102 IonicContact NZ-OD2 3.71Å; K17-D102 PolarHBondContact NZ-OD2 3.33Å |
| 18 | V | 97.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62 | -39.7 | 173.5 | 179.2 | 0 | 0 | 0 | 0 | 111.2 | L11 L12 S13 T15 L21 S22 I36 F48 Y77 P79 | L11-V18 HydrophobicContact CB-CG1 3.95Å; L11-V18 HydrophobicContact CD1-CG1 3.79Å; L11-V18 HydrophobicContact CG-CG1 4.34Å; L12-V18 WeakPolarHBondContact O-CG2 3.39Å; S13-V18 WeakPolarHBondContact O-CG2 3.29Å; T15-V18 WeakPolarHBondContact O-CB 3.21Å; T15-V18 PolarHBondContact O-N 3.46Å; T15-V18 VanDerWaalsContact O-N 3.16Å; T15-V18 PolarHBondContact OG1-N 3.32Å; V18-L21 PolarHBondContact O-N 2.93Å; V18-S22 VanDerWaalsContact O-CB 3.28Å; V18-S22 WeakPolarHBondContact O-CB 3.43Å; V18-S22 PolarHBondContact O-N 3Å; V18-S22 PolarHBondContact O-OG 2.89Å; V18-I36 HydrophobicContact CG1-CD1 4.49Å; V18-F48 HydrophobicContact CB-CE1 4.25Å; V18-F48 HydrophobicContact CB-CZ 3.98Å; V18-F48 HydrophobicContact CG1-CE1 3.68Å; V18-F48 HydrophobicContact CG1-CZ 3.94Å; V18-Y77 HydrophobicContact CG2-CD1 4.4Å; V18-Y77 HydrophobicContact CG2-CE1 4.33Å; V18-P79 HydrophobicContact CG2-CB 4.35Å; V18-P79 HydrophobicContact CG2-CG 3.3Å |
| 19 | R | 97.2 | Very high | 96.3 | Very high | 96 Ų | 96 | 38.4 Ų | 38.4 | 36% | 0.362 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -58.7 | -49.3 | 174.2 | 174.3 | 171.8 | -36 | -92.8 | 6.7 | 110.7 | T15 N16 K17 L21 S22 R23 F48 S51 N52 | T15-R19 PolarHBondContact O-N 2.9Å; N16-R19 WeakPolarHBondContact O-CB 3.06Å; N16-R19 PolarHBondContact O-N 3.12Å; K17-R19 VanDerWaalsContact C-N 3.31Å; K17-R19 PolarHBondContact O-N 3.47Å; R19-L21 PolarHBondContact O-N 3.12Å; R19-S22 PolarHBondContact O-N 3.14Å; R19-S22 PolarHBondContact O-OG 2.91Å; R19-R23 PolarHBondContact O-N 3.3Å; R19-F48 HydrophobicContact CB-CE2 4.47Å; R19-F48 HydrophobicContact CB-CZ 3.94Å; R19-S51 PolarHBondContact NH1-OG 2.92Å; R19-S51 VanDerWaalsContact NH1-OG 3.17Å; R19-N52 VanDerWaalsContact CG-OD1 3.25Å; R19-N52 WeakPolarHBondContact CG-OD1 3.18Å; R19-N52 PolarHBondContact NH1-ND2 2.94Å; R19-N52 VanDerWaalsContact NH1-ND2 3.1Å; R19-N52 PolarHBondContact NH1-OD1 3.27Å |
| 20 | K | 95.8 | Very high | 96.2 | Very high | 82 Ų | 82 | 40.3 Ų | 40.3 | 36% | 0.357 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -59.4 | -48.6 | 176.5 | -168.4 | -176 | -176 | -165.6 | 0 | 111.9 | N16 K17 S22 R23 A24 E297 | N16-K20 PolarHBondContact O-N 3.36Å; K17-K20 PolarHBondContact O-N 2.98Å; K20-S22 PolarHBondContact O-N 3.36Å; K20-R23 PolarHBondContact O-N 3.36Å; K20-A24 PolarHBondContact O-N 2.79Å; K20-E297 HydrophobicContact CD-CG 4.47Å; K20-E297 VanDerWaalsContact CE-CD 3.48Å; K20-E297 WeakPolarHBondContact CE-OE1 3.44Å; K20-E297 IonicContact NZ-OE1 2.91Å; K20-E297 PolarHBondContact NZ-OE1 3.09Å |
| 21 | L | 97.1 | Very high | 96.1 | Very high | 3 Ų | 3 | 40.5 Ų | 40.5 | 2% | 0.016 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -67.8 | -34.5 | -179.1 | -165 | 76.1 | 0 | 0 | 0 | 112.5 | L11 K17 V18 R19 R23 A24 I25 Y77 L100 M300 V301 | L11-L21 HydrophobicContact CD2-CD2 4.37Å; K17-L21 PolarHBondContact O-N 3.29Å; V18-L21 PolarHBondContact O-N 2.93Å; R19-L21 PolarHBondContact O-N 3.12Å; L21-R23 VanDerWaalsContact C-N 3.26Å; L21-R23 PolarHBondContact O-N 3.4Å; L21-A24 HydrophobicContact CD1-CB 4.35Å; L21-A24 CarbonylContact O-C 3.59Å; L21-A24 WeakPolarHBondContact O-CA 3.42Å; L21-A24 VanDerWaalsContact O-CB 3.31Å; L21-A24 WeakPolarHBondContact O-CB 3.32Å; L21-A24 PolarHBondContact O-N 3.37Å; L21-I25 HydrophobicContact CD2-CD1 4.17Å; L21-I25 HydrophobicContact CG-CD1 4.17Å; L21-I25 HydrophobicContact CG-CG1 4.32Å; L21-I25 WeakPolarHBondContact O-CG1 3.12Å; L21-I25 PolarHBondContact O-N 3.28Å; L21-Y77 HydrophobicContact CB-CD1 4.24Å; L21-Y77 HydrophobicContact CB-CE1 3.9Å; L21-Y77 HydrophobicContact CD2-CD1 3.17Å; L21-Y77 HydrophobicContact CD2-CD2 3.56Å; L21-Y77 HydrophobicContact CD2-CE1 3.51Å; L21-Y77 HydrophobicContact CD2-CE2 3.93Å; L21-Y77 HydrophobicContact CD2-CG 3.18Å; L21-Y77 HydrophobicContact CG-CD1 4.3Å; L21-Y77 HydrophobicContact CG-CE1 4.28Å; L21-L100 HydrophobicContact CD1-CD2 4.43Å; L21-L100 HydrophobicContact CD2-CD2 4Å; L21-M300 HydrophobicContact CD1-CE 3.67Å; L21-V301 HydrophobicContact CD1-CG2 3.66Å; L21-V301 HydrophobicContact CG-CG2 4.29Å |
| 22 | S | 97.5 | Very high | 96.1 | Very high | 2 Ų | 2 | 42.1 Ų | 42.1 | 1% | 0.014 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.6 | -37.2 | 177.4 | 65.6 | 0 | 0 | 0 | 0 | 112.6 | V18 R19 K20 I25 N26 | V18-S22 VanDerWaalsContact O-CB 3.28Å; V18-S22 WeakPolarHBondContact O-CB 3.43Å; V18-S22 PolarHBondContact O-N 3Å; V18-S22 PolarHBondContact O-OG 2.89Å; R19-S22 PolarHBondContact O-N 3.14Å; R19-S22 PolarHBondContact O-OG 2.91Å; K20-S22 PolarHBondContact O-N 3.36Å; S22-I25 PolarHBondContact O-N 2.88Å; S22-N26 VanDerWaalsContact O-CG 3.31Å; S22-N26 PolarHBondContact O-N 2.7Å; S22-N26 PolarHBondContact O-ND2 3Å |
| 23 | R | 96.7 | Very high | 96.1 | Very high | 114 Ų | 114 | 42.1 Ų | 42.1 | 43% | 0.43 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -63.2 | -44.5 | 171 | 178.3 | 179.3 | 166.7 | -88.3 | 6 | 111 | R19 K20 L21 I25 N26 L27 E272 | R19-R23 PolarHBondContact O-N 3.3Å; K20-R23 PolarHBondContact O-N 3.36Å; L21-R23 VanDerWaalsContact C-N 3.26Å; L21-R23 PolarHBondContact O-N 3.4Å; R23-I25 VanDerWaalsContact C-N 3.34Å; R23-I25 PolarHBondContact O-N 3.5Å; R23-N26 PolarHBondContact O-N 3.15Å; R23-L27 HydrophobicContact CG-CD1 4.08Å; R23-L27 HydrophobicContact CG-CG 4.5Å; R23-L27 WeakPolarHBondContact O-CG 3.45Å; R23-L27 PolarHBondContact O-N 3.49Å; R23-E272 IonicContact CZ-OE1 2.63Å; R23-E272 IonicContact CZ-OE2 3.57Å; R23-E272 IonicContact NH1-OE1 3.52Å; R23-E272 PolarHBondContact NH1-OE1 3.35Å; R23-E272 IonicContact NH1-OE2 2.78Å; R23-E272 IonicContact NH2-OE1 3.5Å; R23-E272 PolarHBondContact NH2-OE1 3.4Å; R23-E272 IonicContact NH2-OE2 3.6Å; R23-E272 PolarHBondContact NH2-OE2 2.89Å |
| 24 | A | 97 | Very high | 96.2 | Very high | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.008 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.1 | -40.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | K20 L21 L27 S28 E297 A298 V301 | K20-A24 PolarHBondContact O-N 2.79Å; L21-A24 HydrophobicContact CD1-CB 4.35Å; L21-A24 CarbonylContact O-C 3.59Å; L21-A24 WeakPolarHBondContact O-CA 3.42Å; L21-A24 VanDerWaalsContact O-CB 3.31Å; L21-A24 WeakPolarHBondContact O-CB 3.32Å; L21-A24 PolarHBondContact O-N 3.37Å; A24-L27 PolarHBondContact O-N 3.02Å; A24-S28 PolarHBondContact O-N 3.07Å; A24-S28 VanDerWaalsContact O-N 3.11Å; A24-E297 HydrophobicContact CB-CB 3.64Å; A24-A298 HydrophobicContact CB-CB 4.42Å; A24-V301 HydrophobicContact CB-CG2 4.06Å |
| 25 | I | 97.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.8 | -44.8 | 174.8 | -63.8 | 165.7 | 0 | 0 | 0 | 110.7 | I9 L11 L21 S22 R23 L27 S28 A31 I33 V301 | I9-I25 HydrophobicContact CB-CD1 4.25Å; I9-I25 HydrophobicContact CD1-CD1 4.13Å; I9-I25 HydrophobicContact CD1-CG1 4.11Å; I9-I25 HydrophobicContact CG2-CD1 4.01Å; L11-I25 HydrophobicContact CD2-CD1 3.76Å; L21-I25 HydrophobicContact CD2-CD1 4.17Å; L21-I25 HydrophobicContact CG-CD1 4.17Å; L21-I25 HydrophobicContact CG-CG1 4.32Å; L21-I25 WeakPolarHBondContact O-CG1 3.12Å; L21-I25 PolarHBondContact O-N 3.28Å; S22-I25 PolarHBondContact O-N 2.88Å; R23-I25 VanDerWaalsContact C-N 3.34Å; R23-I25 PolarHBondContact O-N 3.5Å; I25-L27 VanDerWaalsContact C-N 3.26Å; I25-L27 PolarHBondContact O-N 3.22Å; I25-S28 WeakPolarHBondContact O-CB 3.43Å; I25-S28 PolarHBondContact O-N 2.77Å; I25-A31 HydrophobicContact CG2-CB 4.09Å; I25-I33 HydrophobicContact CB-CG1 4.03Å; I25-I33 HydrophobicContact CD1-CG1 4.04Å; I25-I33 HydrophobicContact CG2-CG1 3.64Å; I25-V301 HydrophobicContact CB-CG1 4.46Å; I25-V301 HydrophobicContact CG1-CG1 3.9Å; I25-V301 HydrophobicContact CG1-CG2 4.01Å |
| 26 | N | 94.6 | Very high | 96.5 | Very high | 79 Ų | 79 | 39.1 Ų | 39.1 | 42% | 0.422 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -66.1 | -27.1 | 178.3 | -72.5 | -16.5 | 0 | 0 | 0 | 113.6 | S22 R23 S28 | S22-N26 VanDerWaalsContact O-CG 3.31Å; S22-N26 PolarHBondContact O-N 2.7Å; S22-N26 PolarHBondContact O-ND2 3Å; R23-N26 PolarHBondContact O-N 3.15Å; N26-S28 VanDerWaalsContact C-N 3.34Å |
| 27 | L | 94.4 | Very high | 96.7 | Very high | 71 Ų | 71 | 33 Ų | 33 | 37% | 0.372 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -80.4 | -17.4 | 173.7 | -69.9 | 172.9 | 0 | 0 | 0 | 112.7 | R23 A24 I25 L294 A298 | R23-L27 HydrophobicContact CG-CD1 4.08Å; R23-L27 HydrophobicContact CG-CG 4.5Å; R23-L27 WeakPolarHBondContact O-CG 3.45Å; R23-L27 PolarHBondContact O-N 3.49Å; A24-L27 PolarHBondContact O-N 3.02Å; I25-L27 VanDerWaalsContact C-N 3.26Å; I25-L27 PolarHBondContact O-N 3.22Å; L27-L294 HydrophobicContact CB-CD2 4.3Å; L27-A298 HydrophobicContact CB-CB 3.96Å; L27-A298 HydrophobicContact CD1-CB 4.49Å |
| 28 | S | 94.2 | Very high | 96.7 | Very high | 4 Ų | 4 | 30.6 Ų | 30.6 | 3% | 0.028 | 15% | 0.152 | C | C | . | . | trans | -83.6 | 125.9 | -178.6 | 177.3 | 0 | 0 | 0 | 0 | 111.2 | A24 I25 N26 N30 M302 | A24-S28 PolarHBondContact O-N 3.07Å; A24-S28 VanDerWaalsContact O-N 3.11Å; I25-S28 WeakPolarHBondContact O-CB 3.43Å; I25-S28 PolarHBondContact O-N 2.77Å; N26-S28 VanDerWaalsContact C-N 3.34Å; S28-N30 VanDerWaalsContact C-N 3.29Å; S28-N30 PolarHBondContact O-N 3.32Å; S28-N30 PolarHBondContact OG-OD1 3Å; S28-M302 WeakPolarHBondContact OG-CG 3.37Å | ||
| 29 | P | 93.3 | Very high | 96.4 | Very high | 90 Ų | 90 | 35.2 Ų | 35.2 | 58% | 0.584 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -21.9 | -178.8 | 28.5 | -35.5 | 0 | 0 | 0 | 113.7 | Q6 M302 | Q6-P29 PolarHBondContact NE2-O 3.4Å; P29-M302 HydrophobicContact CG-CE 4.29Å; P29-M302 HydrophobicContact CG-SD 4.4Å |
| 30 | N | 97 | Very high | 96.1 | Very high | 42 Ų | 42 | 34.6 Ų | 34.6 | 23% | 0.225 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.2 | 11.9 | -173.3 | 64.2 | -14.3 | 0 | 0 | 0 | 113.7 | Q6 I7 S28 M302 R306 | Q6-N30 WeakPolarHBondContact CA-O 3.21Å; I7-N30 PolarHBondContact N-O 3.43Å; S28-N30 VanDerWaalsContact C-N 3.29Å; S28-N30 PolarHBondContact O-N 3.32Å; S28-N30 PolarHBondContact OG-OD1 3Å; N30-M302 PolarHBondContact ND2-O 3.32Å; N30-M302 WeakPolarHBondContact OD1-CA 3.28Å; N30-R306 PolarHBondContact ND2-N 2.91Å |
| 31 | A | 97.7 | Very high | 96 | Very high | 3 Ų | 3 | 33.4 Ų | 33.4 | 3% | 0.025 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 155.1 | 177 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q6 I7 I9 I25 V301 A305 | Q6-A31 PolarHBondContact NE2-O 3.31Å; I7-A31 WeakPolarHBondContact O-CA 3.26Å; I9-A31 HydrophobicContact CD1-CB 3.91Å; I25-A31 HydrophobicContact CG2-CB 4.09Å; A31-V301 HydrophobicContact CB-CG1 3.59Å; A31-A305 HydrophobicContact CB-CB 4.01Å |
| 32 | T | 97.7 | Very high | 95.9 | Very high | 34 Ų | 34 | 36.4 Ų | 36.4 | 21% | 0.209 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 152.2 | 173.8 | -169.2 | 0 | 0 | 0 | 0 | 110.9 | Q6 I7 R8 I9 | Q6-T32 HydrophobicContact CB-CG2 4.07Å; I7-T32 PolarHBondContact O-N 3.42Å; R8-T32 HydrophobicContact CG-CG2 4.16Å; I9-T32 PolarHBondContact N-O 3.01Å |
| 33 | I | 98.4 | Very high | 95.8 | Very high | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 119.9 | 174.7 | -54.5 | 171.5 | 0 | 0 | 0 | 107.7 | L11 I25 F54 T58 | L11-I33 HydrophobicContact CD1-CD1 4.06Å; L11-I33 HydrophobicContact CD1-CG1 4.17Å; L11-I33 HydrophobicContact CD1-CG2 3.7Å; L11-I33 HydrophobicContact CG-CG2 4.25Å; I25-I33 HydrophobicContact CB-CG1 4.03Å; I25-I33 HydrophobicContact CD1-CG1 4.04Å; I25-I33 HydrophobicContact CG2-CG1 3.64Å; I33-F54 HydrophobicContact CD1-CD1 3.67Å; I33-F54 HydrophobicContact CD1-CE1 3.61Å; I33-F54 HydrophobicContact CD1-CE2 4.44Å; I33-F54 HydrophobicContact CD1-CG 4.16Å; I33-F54 HydrophobicContact CD1-CZ 4Å; I33-F54 HydrophobicContact CG2-CD2 3.87Å; I33-F54 HydrophobicContact CG2-CE2 3.9Å; I33-F54 HydrophobicContact CG2-CG 4.31Å; I33-F54 HydrophobicContact CG2-CZ 4.42Å; I33-T58 HydrophobicContact CG2-CG2 4.05Å |
| 34 | S | 97.8 | Very high | 95.7 | Very high | 17 Ų | 17 | 40.1 Ų | 40.1 | 12% | 0.119 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | -27.5 | 179 | 63.2 | 0 | 0 | 0 | 0 | 113.6 | I9 K59 D72 | I9-S34 PolarHBondContact O-N 2.83Å; I9-S34 PolarHBondContact O-OG 2.91Å; S34-K59 PolarHBondContact O-N 3.19Å; S34-D72 PolarHBondContact OG-O 2.85Å |
| 35 | A | 98.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 154.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | G10 L11 K59 L67 V73 | G10-A35 CarbonylContact C-O 3.54Å; G10-A35 WeakPolarHBondContact CA-O 3.37Å; L11-A35 PolarHBondContact N-O 3.26Å; A35-K59 CarbonylContact C-O 3.53Å; A35-K59 VanDerWaalsContact CA-O 3.28Å; A35-K59 WeakPolarHBondContact CA-O 3.39Å; A35-K59 HydrophobicContact CB-CB 4.35Å; A35-L67 HydrophobicContact CB-CD1 3.77Å; A35-L67 HydrophobicContact CB-CG 4.09Å; A35-V73 HydrophobicContact CB-CG2 3.59Å |
| 36 | I | 98.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 137.6 | 165.4 | -175.7 | 167.5 | 0 | 0 | 0 | 109.9 | L11 V18 A45 F48 F54 T58 K59 L60 H61 | L11-I36 HydrophobicContact CB-CB 4.44Å; L11-I36 HydrophobicContact CB-CG1 4.27Å; L11-I36 CarbonylContact O-C 3.44Å; L11-I36 VanDerWaalsContact O-CA 3.3Å; L11-I36 WeakPolarHBondContact O-CA 3.28Å; V18-I36 HydrophobicContact CG1-CD1 4.49Å; I36-A45 HydrophobicContact CG2-CB 4.33Å; I36-F48 HydrophobicContact CD1-CD1 3.7Å; I36-F48 HydrophobicContact CD1-CE1 4.14Å; I36-F48 HydrophobicContact CD1-CG 4.47Å; I36-F54 HydrophobicContact CB-CE2 4.19Å; I36-F54 HydrophobicContact CD1-CE2 3.89Å; I36-F54 HydrophobicContact CD1-CZ 4.38Å; I36-F54 HydrophobicContact CG2-CE2 4.32Å; I36-T58 HydrophobicContact CG2-CG2 4.39Å; I36-K59 PolarHBondContact N-O 3.2Å; I36-L60 HydrophobicContact CG2-CD2 3.49Å; I36-L60 VanDerWaalsContact CG2-CD2 3.49Å; I36-H61 PolarHBondContact O-N 3.17Å |
| 37 | A | 97.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 137.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | L11 L12 S13 H61 S63 Y64 L67 | L11-A37 PolarHBondContact O-N 2.77Å; L12-A37 HydrophobicContact CD2-CB 4.1Å; S13-A37 VanDerWaalsContact CA-O 3.32Å; S13-A37 WeakPolarHBondContact CA-O 3.39Å; S13-A37 PolarHBondContact N-O 3.27Å; A37-H61 WeakPolarHBondContact CA-O 3.48Å; A37-H61 HydrophobicContact CB-CB 3.81Å; A37-S63 WeakPolarHBondContact CB-O 3.36Å; A37-Y64 HydrophobicContact CB-CD1 3.89Å; A37-L67 HydrophobicContact CB-CB 3.77Å; A37-L67 HydrophobicContact CB-CD1 3.63Å; A37-L67 HydrophobicContact CB-CG 4.33Å |
| 38 | T | 95 | Very high | 95.9 | Very high | 3 Ų | 3 | 42.8 Ų | 42.8 | 2% | 0.018 | 25% | 0.245 | C | C | . | . | trans | -139 | 145.5 | 170 | -174.2 | 0 | 0 | 0 | 0 | 109.3 | S40 S41 E44 A45 H61 S62 | T38-S40 PolarHBondContact OG1-N 3.25Å; T38-S40 PolarHBondContact OG1-OG 3.2Å; T38-S41 WeakPolarHBondContact CG2-O 2.96Å; T38-E44 PolarHBondContact OG1-OE2 2.64Å; T38-A45 HydrophobicContact CG2-CB 3.8Å; T38-H61 PolarHBondContact N-O 3.06Å; T38-S62 CarbonylContact O-C 3.58Å | ||
| 39 | T | 90.9 | Very high | 96 | Very high | 97 Ų | 97 | 43.1 Ų | 43.1 | 60% | 0.595 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -87.2 | -9.1 | 175.8 | 56 | 0 | 0 | 0 | 0 | 112.5 | Y64 | T39-Y64 HydrophobicContact CG2-CD1 4.35Å; T39-Y64 HydrophobicContact CG2-CE1 3.97Å; T39-Y64 HydrophobicContact CG2-CE2 4.21Å |
| 40 | S | 91.3 | Very high | 96.2 | Very high | 84 Ų | 84 | 47.2 Ų | 47.2 | 59% | 0.587 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -79.4 | -62.1 | -178.2 | -27.2 | 0 | 0 | 0 | 0 | 112.2 | T38 E44 | T38-S40 PolarHBondContact OG1-N 3.25Å; T38-S40 PolarHBondContact OG1-OG 3.2Å; S40-E44 WeakPolarHBondContact CB-OE2 3.49Å; S40-E44 PolarHBondContact OG-OE2 3.49Å |
| 41 | S | 93.6 | Very high | 96.2 | Very high | 56 Ų | 56 | 48.1 Ų | 48.1 | 39% | 0.392 | 27% | 0.267 | S | S | . | . | trans | -167.4 | 152.4 | 175.2 | 67.7 | 0 | 0 | 0 | 0 | 112.9 | T38 E43 E44 A45 | T38-S41 WeakPolarHBondContact CG2-O 2.96Å; S41-E43 PolarHBondContact O-N 2.86Å; S41-E44 WeakPolarHBondContact O-CB 3.37Å; S41-E44 PolarHBondContact O-N 3.16Å; S41-E44 WeakPolarHBondContact OG-CB 3.35Å; S41-E44 PolarHBondContact OG-N 3.48Å; S41-E44 VanDerWaalsContact OG-N 3.09Å; S41-A45 PolarHBondContact O-N 3.29Å | ||
| 42 | I | 94.2 | Very high | 96.1 | Very high | 66 Ų | 66 | 48.9 Ų | 48.9 | 34% | 0.338 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -61.6 | -32.5 | 172.5 | -69.1 | -63.7 | 0 | 0 | 0 | 112.2 | A45 K46 L60 | I42-A45 PolarHBondContact O-N 2.96Å; I42-K46 WeakPolarHBondContact O-CB 3.37Å; I42-K46 PolarHBondContact O-N 3.44Å; I42-L60 HydrophobicContact CD1-CB 4.29Å; I42-L60 HydrophobicContact CG2-CD1 4.41Å |
| 43 | E | 95.7 | Very high | 96 | Very high | 123 Ų | 123 | 53.7 Ų | 53.7 | 58% | 0.575 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -68.2 | -35.4 | 177.2 | -69.7 | -57.5 | 137.8 | 0 | 0 | 112.3 | S41 K46 S47 | S41-E43 PolarHBondContact O-N 2.86Å; E43-K46 PolarHBondContact O-N 2.72Å; E43-S47 WeakPolarHBondContact O-CB 3.47Å; E43-S47 PolarHBondContact O-N 2.91Å |
| 44 | E | 95.3 | Very high | 96 | Very high | 72 Ų | 72 | 54.5 Ų | 54.5 | 34% | 0.336 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -60.5 | -50.5 | 169.6 | -177.9 | -171.2 | -141.4 | 0 | 0 | 110.5 | C14 T38 S40 S41 K46 S47 F48 | C14-E44 HydrophobicContact CB-CG 4.03Å; T38-E44 PolarHBondContact OG1-OE2 2.64Å; S40-E44 WeakPolarHBondContact CB-OE2 3.49Å; S40-E44 PolarHBondContact OG-OE2 3.49Å; S41-E44 WeakPolarHBondContact O-CB 3.37Å; S41-E44 PolarHBondContact O-N 3.16Å; S41-E44 WeakPolarHBondContact OG-CB 3.35Å; S41-E44 PolarHBondContact OG-N 3.48Å; S41-E44 VanDerWaalsContact OG-N 3.09Å; E44-K46 VanDerWaalsContact C-N 3.28Å; E44-K46 PolarHBondContact O-N 3.5Å; E44-S47 PolarHBondContact O-N 3.36Å; E44-F48 VanDerWaalsContact O-CB 3.29Å; E44-F48 WeakPolarHBondContact O-CB 3.46Å; E44-F48 PolarHBondContact O-N 2.79Å |
| 45 | A | 96.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -56.9 | -43.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112 | I36 T38 S41 I42 F48 A49 L60 | I36-A45 HydrophobicContact CG2-CB 4.33Å; T38-A45 HydrophobicContact CG2-CB 3.8Å; S41-A45 PolarHBondContact O-N 3.29Å; I42-A45 PolarHBondContact O-N 2.96Å; A45-F48 PolarHBondContact O-N 2.62Å; A45-A49 VanDerWaalsContact O-CB 3.26Å; A45-A49 WeakPolarHBondContact O-CB 3.5Å; A45-A49 PolarHBondContact O-N 2.93Å; A45-L60 HydrophobicContact CB-CD2 4.21Å |
| 46 | K | 96.6 | Very high | 95.7 | Very high | 114 Ų | 114 | 61.9 Ų | 61.9 | 50% | 0.496 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64.2 | -45.8 | 178.3 | -172.8 | 179.2 | 178.9 | -176.2 | 0 | 112.1 | I42 E43 E44 K50 L60 | I42-K46 WeakPolarHBondContact O-CB 3.37Å; I42-K46 PolarHBondContact O-N 3.44Å; E43-K46 PolarHBondContact O-N 2.72Å; E44-K46 VanDerWaalsContact C-N 3.28Å; E44-K46 PolarHBondContact O-N 3.5Å; K46-K50 WeakPolarHBondContact O-CB 3.47Å; K46-K50 PolarHBondContact O-N 3.32Å; K46-L60 HydrophobicContact CB-CD1 3.79Å; K46-L60 HydrophobicContact CG-CD1 4.28Å |
| 47 | S | 96.8 | Very high | 95.6 | Very high | 80 Ų | 80 | 68 Ų | 68 | 56% | 0.559 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -63 | -44.2 | 175.9 | -174 | 0 | 0 | 0 | 0 | 111.2 | E43 E44 K50 S51 | E43-S47 WeakPolarHBondContact O-CB 3.47Å; E43-S47 PolarHBondContact O-N 2.91Å; E44-S47 PolarHBondContact O-N 3.36Å; S47-K50 PolarHBondContact O-N 3.28Å; S47-S51 WeakPolarHBondContact O-CB 3.39Å; S47-S51 PolarHBondContact O-N 2.93Å; S47-S51 PolarHBondContact O-OG 2.93Å |
| 48 | F | 97.4 | Very high | 95.6 | Very high | 12 Ų | 12 | 68.8 Ų | 68.8 | 5% | 0.053 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -61.8 | -50.4 | 178.7 | -168.5 | -85.2 | 0 | 0 | 0 | 111.5 | C14 T15 V18 R19 I36 E44 A45 K50 S51 N52 F54 | C14-F48 VanDerWaalsContact C-CE2 3.42Å; C14-F48 HydrophobicContact CB-CB 4.1Å; C14-F48 HydrophobicContact CB-CD2 3.55Å; C14-F48 HydrophobicContact CB-CE2 4.06Å; C14-F48 HydrophobicContact CB-CG 3.8Å; C14-F48 WeakPolarHBondContact O-CE2 3.45Å; T15-F48 WeakPolarHBondContact O-CZ 3.43Å; V18-F48 HydrophobicContact CB-CE1 4.25Å; V18-F48 HydrophobicContact CB-CZ 3.98Å; V18-F48 HydrophobicContact CG1-CE1 3.68Å; V18-F48 HydrophobicContact CG1-CZ 3.94Å; R19-F48 HydrophobicContact CB-CE2 4.47Å; R19-F48 HydrophobicContact CB-CZ 3.94Å; I36-F48 HydrophobicContact CD1-CD1 3.7Å; I36-F48 HydrophobicContact CD1-CE1 4.14Å; I36-F48 HydrophobicContact CD1-CG 4.47Å; E44-F48 VanDerWaalsContact O-CB 3.29Å; E44-F48 WeakPolarHBondContact O-CB 3.46Å; E44-F48 PolarHBondContact O-N 2.79Å; A45-F48 PolarHBondContact O-N 2.62Å; F48-K50 VanDerWaalsContact C-N 3.35Å; F48-K50 PolarHBondContact O-N 3.2Å; F48-S51 PolarHBondContact O-N 3.46Å; F48-S51 PolarHBondContact O-OG 3.04Å; F48-N52 VanDerWaalsContact CD1-ND2 3.32Å; F48-N52 WeakPolarHBondContact CD1-ND2 2.91Å; F48-N52 WeakPolarHBondContact CE1-ND2 3.33Å; F48-N52 WeakPolarHBondContact CZ-ND2 3.49Å; F48-N52 PolarHBondContact O-N 2.69Å; F48-N52 VanDerWaalsContact O-N 3.1Å; F48-N52 PolarHBondContact O-ND2 3.15Å; F48-F54 HydrophobicContact CD1-CE2 4.44Å; F48-F54 HydrophobicContact CD1-CZ 4.05Å; F48-F54 HydrophobicContact CE1-CE1 4.44Å; F48-F54 AromaticContact CE1-CZ 3.88Å; F48-F54 HydrophobicContact CE1-CZ 3.88Å |
| 49 | A | 97.5 | Very high | 95.7 | Very high | 12 Ų | 12 | 72.3 Ų | 72.3 | 10% | 0.099 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -57.7 | -45.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | A45 N52 N53 F54 L60 | A45-A49 VanDerWaalsContact O-CB 3.26Å; A45-A49 WeakPolarHBondContact O-CB 3.5Å; A45-A49 PolarHBondContact O-N 2.93Å; A49-N52 PolarHBondContact O-N 2.89Å; A49-N53 PolarHBondContact O-N 2.93Å; A49-F54 HydrophobicContact CB-CB 3.95Å; A49-F54 HydrophobicContact CB-CD2 3.6Å; A49-F54 HydrophobicContact CB-CE2 4.36Å; A49-F54 HydrophobicContact CB-CG 3.93Å; A49-F54 PolarHBondContact O-N 3.43Å; A49-L60 HydrophobicContact CB-CD2 4.36Å |
| 50 | K | 96.5 | Very high | 96 | Very high | 176 Ų | 176 | 70.6 Ų | 70.6 | 77% | 0.765 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -61.7 | -46.4 | 175.7 | -175.3 | -179.3 | 178.9 | -176.9 | 0 | 111.9 | K46 S47 F48 N52 N53 | K46-K50 WeakPolarHBondContact O-CB 3.47Å; K46-K50 PolarHBondContact O-N 3.32Å; S47-K50 PolarHBondContact O-N 3.28Å; F48-K50 VanDerWaalsContact C-N 3.35Å; F48-K50 PolarHBondContact O-N 3.2Å; K50-N52 PolarHBondContact O-N 3.11Å; K50-N53 PolarHBondContact O-N 2.93Å |
| 51 | S | 96.7 | Very high | 96.4 | Very high | 61 Ų | 61 | 67.9 Ų | 67.9 | 43% | 0.427 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -65.7 | -22.5 | -177.5 | 76.9 | 0 | 0 | 0 | 0 | 113.8 | R19 S47 F48 | R19-S51 PolarHBondContact NH1-OG 2.92Å; R19-S51 VanDerWaalsContact NH1-OG 3.17Å; S47-S51 WeakPolarHBondContact O-CB 3.39Å; S47-S51 PolarHBondContact O-N 2.93Å; S47-S51 PolarHBondContact O-OG 2.93Å; F48-S51 PolarHBondContact O-N 3.46Å; F48-S51 PolarHBondContact O-OG 3.04Å |
| 52 | N | 96.8 | Very high | 96.4 | Very high | 19 Ų | 19 | 69.2 Ų | 69.2 | 10% | 0.102 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.5 | 12.5 | -178.4 | -66.9 | -62.8 | 0 | 0 | 0 | 113.2 | R19 F48 A49 K50 F54 | R19-N52 VanDerWaalsContact CG-OD1 3.25Å; R19-N52 WeakPolarHBondContact CG-OD1 3.18Å; R19-N52 PolarHBondContact NH1-ND2 2.94Å; R19-N52 VanDerWaalsContact NH1-ND2 3.1Å; R19-N52 PolarHBondContact NH1-OD1 3.27Å; F48-N52 VanDerWaalsContact CD1-ND2 3.32Å; F48-N52 WeakPolarHBondContact CD1-ND2 2.91Å; F48-N52 WeakPolarHBondContact CE1-ND2 3.33Å; F48-N52 WeakPolarHBondContact CZ-ND2 3.49Å; F48-N52 PolarHBondContact O-N 2.69Å; F48-N52 VanDerWaalsContact O-N 3.1Å; F48-N52 PolarHBondContact O-ND2 3.15Å; A49-N52 PolarHBondContact O-N 2.89Å; K50-N52 PolarHBondContact O-N 3.11Å; N52-F54 VanDerWaalsContact C-N 3.29Å; N52-F54 HydrophobicContact CB-CD1 3.69Å; N52-F54 HydrophobicContact CB-CE1 3.43Å; N52-F54 VanDerWaalsContact CB-CE1 3.43Å; N52-F54 HydrophobicContact CB-CZ 4.45Å; N52-F54 PolarHBondContact O-N 2.92Å |
| 53 | N | 95.7 | Very high | 96.5 | Very high | 134 Ų | 134 | 67.7 Ų | 67.7 | 72% | 0.717 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.2 | 44.3 | 178.7 | -54.6 | -52.6 | 0 | 0 | 0 | 113 | A49 K50 | A49-N53 PolarHBondContact O-N 2.93Å; K50-N53 PolarHBondContact O-N 2.93Å |
| 54 | F | 97.5 | Very high | 96.6 | Very high | 18 Ų | 18 | 62.6 Ų | 62.6 | 8% | 0.079 | 34% | 0.343 | C | S | . | . | trans | -63.7 | 151.5 | 174.3 | -76.2 | 17.6 | 0 | 0 | 0 | 110.2 | L11 I33 I36 F48 A49 N52 T58 | L11-F54 HydrophobicContact CD1-CE2 3.86Å; L11-F54 HydrophobicContact CD1-CZ 3.58Å; I33-F54 HydrophobicContact CD1-CD1 3.67Å; I33-F54 HydrophobicContact CD1-CE1 3.61Å; I33-F54 HydrophobicContact CD1-CE2 4.44Å; I33-F54 HydrophobicContact CD1-CG 4.16Å; I33-F54 HydrophobicContact CD1-CZ 4Å; I33-F54 HydrophobicContact CG2-CD2 3.87Å; I33-F54 HydrophobicContact CG2-CE2 3.9Å; I33-F54 HydrophobicContact CG2-CG 4.31Å; I33-F54 HydrophobicContact CG2-CZ 4.42Å; I36-F54 HydrophobicContact CB-CE2 4.19Å; I36-F54 HydrophobicContact CD1-CE2 3.89Å; I36-F54 HydrophobicContact CD1-CZ 4.38Å; I36-F54 HydrophobicContact CG2-CE2 4.32Å; F48-F54 HydrophobicContact CD1-CE2 4.44Å; F48-F54 HydrophobicContact CD1-CZ 4.05Å; F48-F54 HydrophobicContact CE1-CE1 4.44Å; F48-F54 AromaticContact CE1-CZ 3.88Å; F48-F54 HydrophobicContact CE1-CZ 3.88Å; A49-F54 HydrophobicContact CB-CB 3.95Å; A49-F54 HydrophobicContact CB-CD2 3.6Å; A49-F54 HydrophobicContact CB-CE2 4.36Å; A49-F54 HydrophobicContact CB-CG 3.93Å; A49-F54 PolarHBondContact O-N 3.43Å; N52-F54 VanDerWaalsContact C-N 3.29Å; N52-F54 HydrophobicContact CB-CD1 3.69Å; N52-F54 HydrophobicContact CB-CE1 3.43Å; N52-F54 VanDerWaalsContact CB-CE1 3.43Å; N52-F54 HydrophobicContact CB-CZ 4.45Å; N52-F54 PolarHBondContact O-N 2.92Å; F54-T58 HydrophobicContact CD2-CG2 3.94Å | ||
| 55 | P | 95.9 | Very high | 96.7 | Very high | 29 Ų | 29 | 63 Ų | 63 | 19% | 0.188 | 35% | 0.345 | C | S | . | . | trans | -50.5 | 140.4 | 173.4 | -27.8 | 35.6 | 0 | 0 | 0 | 111.6 | N57 T58 | P55-N57 VanDerWaalsContact CB-OD1 3.29Å; P55-N57 WeakPolarHBondContact CB-OD1 3.24Å; P55-N57 PolarHBondContact O-N 3.4Å; P55-N57 VanDerWaalsContact O-N 3.08Å; P55-T58 WeakPolarHBondContact CD-OG1 3.48Å; P55-T58 VanDerWaalsContact O-CB 3.3Å; P55-T58 WeakPolarHBondContact O-CB 3.44Å; P55-T58 PolarHBondContact O-N 3.27Å; P55-T58 PolarHBondContact O-OG1 2.95Å | ||
| 56 | P | 94.7 | Very high | 96.8 | Very high | 143 Ų | 143 | 64.5 Ų | 64.5 | 93% | 0.929 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -20.4 | -173.8 | 24.6 | -34.1 | 0 | 0 | 0 | 113.7 | ||
| 57 | N | 94.7 | Very high | 96.9 | Very high | 129 Ų | 129 | 59.1 Ų | 59.1 | 69% | 0.69 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.8 | 9.2 | 176 | 64.5 | -34.8 | 0 | 0 | 0 | 113.6 | P55 K59 | P55-N57 VanDerWaalsContact CB-OD1 3.29Å; P55-N57 WeakPolarHBondContact CB-OD1 3.24Å; P55-N57 PolarHBondContact O-N 3.4Å; P55-N57 VanDerWaalsContact O-N 3.08Å; N57-K59 PolarHBondContact O-N 3.49Å |
| 58 | T | 97.8 | Very high | 96.9 | Very high | 17 Ų | 17 | 55.4 Ų | 55.4 | 10% | 0.104 | 31% | 0.306 | C | S | . | . | trans | -61.7 | 122.9 | 177 | -56.7 | 0 | 0 | 0 | 0 | 110.1 | I33 I36 F54 P55 | I33-T58 HydrophobicContact CG2-CG2 4.05Å; I36-T58 HydrophobicContact CG2-CG2 4.39Å; F54-T58 HydrophobicContact CD2-CG2 3.94Å; P55-T58 WeakPolarHBondContact CD-OG1 3.48Å; P55-T58 VanDerWaalsContact O-CB 3.3Å; P55-T58 WeakPolarHBondContact O-CB 3.44Å; P55-T58 PolarHBondContact O-N 3.27Å; P55-T58 PolarHBondContact O-OG1 2.95Å | ||
| 59 | K | 98 | Very high | 97 | Very high | 77 Ų | 77 | 60.6 Ų | 60.6 | 34% | 0.335 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 136.7 | 180 | -64.2 | 176.8 | -179.7 | -174.8 | 0 | 110.8 | S34 A35 I36 N57 D70 D72 | S34-K59 PolarHBondContact O-N 3.19Å; A35-K59 CarbonylContact C-O 3.53Å; A35-K59 VanDerWaalsContact CA-O 3.28Å; A35-K59 WeakPolarHBondContact CA-O 3.39Å; A35-K59 HydrophobicContact CB-CB 4.35Å; I36-K59 PolarHBondContact N-O 3.2Å; N57-K59 PolarHBondContact O-N 3.49Å; K59-D70 WeakPolarHBondContact CD-OD2 3.26Å; K59-D70 IonicContact NZ-OD1 2.7Å; K59-D70 PolarHBondContact NZ-OD1 3.23Å; K59-D70 IonicContact NZ-OD2 2.75Å; K59-D70 PolarHBondContact NZ-OD2 2.97Å; K59-D72 WeakPolarHBondContact CE-OD2 3.49Å; K59-D72 IonicContact NZ-OD2 2.77Å; K59-D72 PolarHBondContact NZ-OD2 3.36Å |
| 60 | L | 98.1 | Very high | 97 | Very high | 61 Ų | 61 | 60.4 Ų | 60.4 | 32% | 0.319 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 122.5 | 178.2 | -52 | -177.1 | 0 | 0 | 0 | 109 | I36 I42 A45 K46 A49 | I36-L60 HydrophobicContact CG2-CD2 3.49Å; I36-L60 VanDerWaalsContact CG2-CD2 3.49Å; I42-L60 HydrophobicContact CD1-CB 4.29Å; I42-L60 HydrophobicContact CG2-CD1 4.41Å; A45-L60 HydrophobicContact CB-CD2 4.21Å; K46-L60 HydrophobicContact CB-CD1 3.79Å; K46-L60 HydrophobicContact CG-CD1 4.28Å; A49-L60 HydrophobicContact CB-CD2 4.36Å |
| 61 | H | 97.9 | Very high | 97.1 | Very high | 26 Ų | 26 | 57 Ų | 57 | 12% | 0.12 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 138.4 | -176.9 | -77.6 | -82.8 | 0 | 0 | 0 | 110.6 | I36 A37 T38 S66 L67 D70 | I36-H61 PolarHBondContact O-N 3.17Å; A37-H61 WeakPolarHBondContact CA-O 3.48Å; A37-H61 HydrophobicContact CB-CB 3.81Å; T38-H61 PolarHBondContact N-O 3.06Å; H61-S66 VanDerWaalsContact CB-OG 3.27Å; H61-S66 WeakPolarHBondContact CB-OG 3.37Å; H61-S66 PolarHBondContact CE1-O 2.91Å; H61-S66 PolarHBondContact ND1-O 3.37Å; H61-S66 PolarHBondContact ND1-OG 2.81Å; H61-L67 HydrophobicContact CB-CB 3.94Å; H61-L67 PolarHBondContact ND1-N 2.82Å; H61-D70 IonicContact CE1-OD2 2.62Å; H61-D70 PolarHBondContact CE1-OD2 3.3Å; H61-D70 IonicContact NE2-OD2 2.96Å; H61-D70 PolarHBondContact NE2-OD2 2.95Å |
| 62 | S | 94.8 | Very high | 97.1 | Very high | 85 Ų | 85 | 57.7 Ų | 57.7 | 59% | 0.594 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -90.4 | -6.8 | -178.4 | 54.5 | 0 | 0 | 0 | 0 | 113.8 | T38 | T38-S62 CarbonylContact O-C 3.58Š|
| 63 | S | 96.2 | Very high | 97.2 | Very high | 33 Ų | 33 | 56.9 Ų | 56.9 | 23% | 0.231 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -144.6 | 163.4 | 170.8 | 85.5 | 0 | 0 | 0 | 0 | 110.2 | A37 E65 S66 | A37-S63 WeakPolarHBondContact CB-O 3.36Å; S63-E65 VanDerWaalsContact C-N 3.35Å; S63-E65 VanDerWaalsContact CB-OE2 3.27Å; S63-E65 WeakPolarHBondContact CB-OE2 3.05Å; S63-E65 PolarHBondContact OG-N 3.38Å; S63-E65 PolarHBondContact OG-OE2 2.82Å; S63-S66 PolarHBondContact O-OG 3.39Å; S63-S66 PolarHBondContact OG-N 3.42Å; S63-S66 VanDerWaalsContact OG-N 3.17Å |
| 64 | Y | 97.5 | Very high | 97.3 | Very high | 17 Ų | 17 | 51 Ų | 51 | 7% | 0.067 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -67.9 | -39.3 | 175.3 | -59.5 | -21.3 | 0 | 0 | 0 | 110.5 | L12 S13 A37 T39 S66 L67 L68 I80 W88 | L12-Y64 HydrophobicContact CB-CD1 4.38Å; L12-Y64 HydrophobicContact CB-CE1 4.26Å; L12-Y64 HydrophobicContact CD1-CG 4.35Å; L12-Y64 HydrophobicContact CD2-CD1 3.85Å; L12-Y64 HydrophobicContact CD2-CG 4.13Å; L12-Y64 HydrophobicContact CG-CD1 4.5Å; S13-Y64 PolarHBondContact OG-OH 3.1Å; A37-Y64 HydrophobicContact CB-CD1 3.89Å; T39-Y64 HydrophobicContact CG2-CD1 4.35Å; T39-Y64 HydrophobicContact CG2-CE1 3.97Å; T39-Y64 HydrophobicContact CG2-CE2 4.21Å; Y64-S66 VanDerWaalsContact C-N 3.33Å; Y64-S66 PolarHBondContact O-N 2.85Å; Y64-L67 PolarHBondContact O-N 3Å; Y64-L68 WeakPolarHBondContact O-CG 3.15Å; Y64-L68 PolarHBondContact O-N 3.18Å; Y64-I80 HydrophobicContact CE2-CG2 4.25Å; Y64-W88 VanDerWaalsContact CB-CZ3 3.42Å; Y64-W88 AromaticContact CD2-CD2 3.84Å; Y64-W88 HydrophobicContact CD2-CD2 3.84Å; Y64-W88 AromaticContact CD2-CE2 3.63Å; Y64-W88 HydrophobicContact CD2-CE3 4.17Å; Y64-W88 HydrophobicContact CD2-CG 4.38Å; Y64-W88 AromaticContact CD2-CH2 3.99Å; Y64-W88 HydrophobicContact CD2-CH2 3.99Å; Y64-W88 AromaticContact CD2-CZ2 3.71Å; Y64-W88 HydrophobicContact CD2-CZ2 3.71Å; Y64-W88 HydrophobicContact CD2-CZ3 4.25Å; Y64-W88 HydrophobicContact CG-CE3 4.47Å; Y64-W88 HydrophobicContact CG-CH2 4.35Å; Y64-W88 HydrophobicContact CG-CZ3 4.37Å |
| 65 | E | 97.5 | Very high | 97.4 | Very high | 81 Ų | 81 | 50.1 Ų | 50.1 | 38% | 0.379 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -56.3 | -45 | 176.4 | -61.4 | 86.7 | 162.6 | 0 | 0 | 112 | S63 L67 L68 E69 W88 L91 | S63-E65 VanDerWaalsContact C-N 3.35Å; S63-E65 VanDerWaalsContact CB-OE2 3.27Å; S63-E65 WeakPolarHBondContact CB-OE2 3.05Å; S63-E65 PolarHBondContact OG-N 3.38Å; S63-E65 PolarHBondContact OG-OE2 2.82Å; E65-L67 VanDerWaalsContact C-N 3.25Å; E65-L67 PolarHBondContact O-N 3.15Å; E65-L68 CarbonylContact O-C 3.46Å; E65-L68 PolarHBondContact O-N 3.27Å; E65-E69 WeakPolarHBondContact O-CG 3.45Å; E65-E69 PolarHBondContact O-N 2.85Å; E65-W88 HydrophobicContact CG-CH2 4.08Å; E65-W88 HydrophobicContact CG-CZ3 3.8Å; E65-W88 WeakPolarHBondContact OE1-CH2 3.45Å; E65-L91 HydrophobicContact CG-CD2 4.34Å |
| 66 | S | 97.6 | Very high | 97.5 | Very high | 31 Ų | 31 | 48.8 Ų | 48.8 | 22% | 0.217 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.2 | -33.5 | -177.6 | 78.2 | 0 | 0 | 0 | 0 | 112 | H61 S63 Y64 E69 D70 | H61-S66 VanDerWaalsContact CB-OG 3.27Å; H61-S66 WeakPolarHBondContact CB-OG 3.37Å; H61-S66 PolarHBondContact CE1-O 2.91Å; H61-S66 PolarHBondContact ND1-O 3.37Å; H61-S66 PolarHBondContact ND1-OG 2.81Å; S63-S66 PolarHBondContact O-OG 3.39Å; S63-S66 PolarHBondContact OG-N 3.42Å; S63-S66 VanDerWaalsContact OG-N 3.17Å; Y64-S66 VanDerWaalsContact C-N 3.33Å; Y64-S66 PolarHBondContact O-N 2.85Å; S66-E69 PolarHBondContact O-N 2.8Å; S66-D70 PolarHBondContact O-N 2.95Å |
| 67 | L | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -70.1 | -39.6 | 172.5 | 179.3 | 153.2 | 0 | 0 | 0 | 111.8 | L12 A35 A37 H61 Y64 E65 E69 D70 V73 V76 | L12-L67 HydrophobicContact CD2-CD1 4.25Å; L12-L67 HydrophobicContact CD2-CD2 4.03Å; A35-L67 HydrophobicContact CB-CD1 3.77Å; A35-L67 HydrophobicContact CB-CG 4.09Å; A37-L67 HydrophobicContact CB-CB 3.77Å; A37-L67 HydrophobicContact CB-CD1 3.63Å; A37-L67 HydrophobicContact CB-CG 4.33Å; H61-L67 HydrophobicContact CB-CB 3.94Å; H61-L67 PolarHBondContact ND1-N 2.82Å; Y64-L67 PolarHBondContact O-N 3Å; E65-L67 VanDerWaalsContact C-N 3.25Å; E65-L67 PolarHBondContact O-N 3.15Å; L67-E69 PolarHBondContact O-N 3.21Å; L67-D70 VanDerWaalsContact O-CB 3.31Å; L67-D70 WeakPolarHBondContact O-CB 3.27Å; L67-D70 PolarHBondContact O-N 3.47Å; L67-D70 VanDerWaalsContact O-N 3.15Å; L67-V73 HydrophobicContact CD2-CG1 4.3Å; L67-V73 HydrophobicContact CG-CG2 4.46Å; L67-V76 HydrophobicContact CD2-CG1 4.06Å; L67-V76 HydrophobicContact CD2-CG2 3.74Å |
| 68 | L | 98.6 | Very high | 97.9 | Very high | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.01 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66.1 | -23 | 176.1 | -62.8 | -174.6 | 0 | 0 | 0 | 112.5 | Y64 E65 V76 W88 L91 A92 K95 K97 | Y64-L68 WeakPolarHBondContact O-CG 3.15Å; Y64-L68 PolarHBondContact O-N 3.18Å; E65-L68 CarbonylContact O-C 3.46Å; E65-L68 PolarHBondContact O-N 3.27Å; L68-V76 HydrophobicContact CD2-CB 4.45Å; L68-V76 HydrophobicContact CD2-CG1 4.3Å; L68-V76 HydrophobicContact CD2-CG2 3.81Å; L68-W88 HydrophobicContact CD1-CE3 4.14Å; L68-L91 HydrophobicContact CD1-CB 4.18Å; L68-L91 HydrophobicContact CD1-CD2 3.93Å; L68-L91 HydrophobicContact CD1-CG 3.83Å; L68-A92 HydrophobicContact CD1-CB 4.09Å; L68-A92 HydrophobicContact CD2-CB 3.64Å; L68-A92 HydrophobicContact CG-CB 4.49Å; L68-K95 HydrophobicContact CB-CG 4.39Å; L68-K97 HydrophobicContact CD2-CG 4.31Å; L68-K97 WeakPolarHBondContact O-CE 3.48Å |
| 69 | E | 98.5 | Very high | 97.8 | Very high | 122 Ų | 122 | 35.5 Ų | 35.5 | 57% | 0.57 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | -10.5 | 174.9 | -70 | -177.7 | 161.7 | 0 | 0 | 113.9 | E65 S66 L67 P71 K95 | E65-E69 WeakPolarHBondContact O-CG 3.45Å; E65-E69 PolarHBondContact O-N 2.85Å; S66-E69 PolarHBondContact O-N 2.8Å; L67-E69 PolarHBondContact O-N 3.21Å; E69-P71 WeakPolarHBondContact O-CD 3.41Å; E69-K95 IonicContact OE1-NZ 3.02Å; E69-K95 PolarHBondContact OE1-NZ 3.45Å |
| 70 | D | 98.4 | Very high | 97.7 | Very high | 8 Ų | 8 | 32 Ų | 32 | 4% | 0.043 | 18% | 0.18 | C | C | . | . | trans | -71.7 | 117.2 | -175.6 | -165.4 | -31.1 | 0 | 0 | 0 | 111.5 | K59 H61 S66 L67 D72 V73 K97 | K59-D70 WeakPolarHBondContact CD-OD2 3.26Å; K59-D70 IonicContact NZ-OD1 2.7Å; K59-D70 PolarHBondContact NZ-OD1 3.23Å; K59-D70 IonicContact NZ-OD2 2.75Å; K59-D70 PolarHBondContact NZ-OD2 2.97Å; H61-D70 IonicContact CE1-OD2 2.62Å; H61-D70 PolarHBondContact CE1-OD2 3.3Å; H61-D70 IonicContact NE2-OD2 2.96Å; H61-D70 PolarHBondContact NE2-OD2 2.95Å; S66-D70 PolarHBondContact O-N 2.95Å; L67-D70 VanDerWaalsContact O-CB 3.31Å; L67-D70 WeakPolarHBondContact O-CB 3.27Å; L67-D70 PolarHBondContact O-N 3.47Å; L67-D70 VanDerWaalsContact O-N 3.15Å; D70-D72 PolarHBondContact O-N 3.46Å; D70-D72 WeakPolarHBondContact OD1-CB 3.45Å; D70-D72 PolarHBondContact OD1-N 3.5Å; D70-V73 HydrophobicContact CB-CB 4.37Å; D70-V73 HydrophobicContact CB-CG2 3.83Å; D70-V73 PolarHBondContact O-N 3.38Å; D70-K97 PolarHBondContact O-NZ 3.3Å | ||
| 71 | P | 97.4 | Very high | 97.6 | Very high | 103 Ų | 103 | 30.6 Ų | 30.6 | 67% | 0.669 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -17.1 | 179.8 | 28.4 | -35.6 | 0 | 0 | 0 | 113.4 | E69 V73 | E69-P71 WeakPolarHBondContact O-CD 3.41Å; P71-V73 VanDerWaalsContact C-N 3.3Å |
| 72 | D | 97 | Very high | 97.6 | Very high | 76 Ų | 76 | 29.4 Ų | 29.4 | 41% | 0.406 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90 | 8 | 178.4 | -61.4 | -37.4 | 0 | 0 | 0 | 112.9 | R8 S34 K59 D70 | R8-D72 VanDerWaalsContact CB-O 3.24Å; R8-D72 WeakPolarHBondContact CB-O 3.07Å; R8-D72 WeakPolarHBondContact CD-O 3.37Å; R8-D72 PolarHBondContact NE-O 3.37Å; S34-D72 PolarHBondContact OG-O 2.85Å; K59-D72 WeakPolarHBondContact CE-OD2 3.49Å; K59-D72 IonicContact NZ-OD2 2.77Å; K59-D72 PolarHBondContact NZ-OD2 3.36Å; D70-D72 PolarHBondContact O-N 3.46Å; D70-D72 WeakPolarHBondContact OD1-CB 3.45Å; D70-D72 PolarHBondContact OD1-N 3.5Å |
| 73 | V | 98.5 | Very high | 97.7 | Very high | 3 Ų | 3 | 31 Ų | 31 | 2% | 0.018 | 16% | 0.162 | C | C | . | . | trans | -105.7 | 123.1 | 172.2 | 176.5 | 0 | 0 | 0 | 0 | 109.6 | A35 L67 D70 P71 A75 V76 K97 | A35-V73 HydrophobicContact CB-CG2 3.59Å; L67-V73 HydrophobicContact CD2-CG1 4.3Å; L67-V73 HydrophobicContact CG-CG2 4.46Å; D70-V73 HydrophobicContact CB-CB 4.37Å; D70-V73 HydrophobicContact CB-CG2 3.83Å; D70-V73 PolarHBondContact O-N 3.38Å; P71-V73 VanDerWaalsContact C-N 3.3Å; V73-A75 WeakPolarHBondContact CG1-O 3.27Å; V73-V76 HydrophobicContact CG1-CG2 3.73Å; V73-K97 HydrophobicContact CG1-CD 4.43Å; V73-K97 WeakPolarHBondContact O-CD 3.41Å; V73-K97 WeakPolarHBondContact O-CE 3.44Å; V73-K97 PolarHBondContact O-NZ 3.44Å | ||
| 74 | D | 98.5 | Very high | 97.8 | Very high | 10 Ų | 10 | 32 Ų | 32 | 5% | 0.053 | 16% | 0.164 | C | C | . | . | trans | -93.3 | -44.5 | 179.7 | -57.9 | -30.4 | 0 | 0 | 0 | 111.3 | I7 R8 H98 K312 | I7-D74 HydrophobicContact CG2-CB 3.93Å; R8-D74 HydrophobicContact CB-CB 4.42Å; R8-D74 WeakPolarHBondContact CB-OD2 3.41Å; R8-D74 IonicContact CZ-OD1 2.73Å; R8-D74 VanDerWaalsContact CZ-OD1 3.29Å; R8-D74 IonicContact CZ-OD2 2.7Å; R8-D74 PolarHBondContact N-OD2 3.48Å; R8-D74 IonicContact NE-OD1 3.61Å; R8-D74 PolarHBondContact NE-OD1 3.48Å; R8-D74 IonicContact NE-OD2 2.69Å; R8-D74 IonicContact NH2-OD1 3.16Å; R8-D74 PolarHBondContact NH2-OD1 2.9Å; R8-D74 IonicContact NH2-OD2 2.65Å; R8-D74 WeakPolarHBondContact O-CB 3.29Å; R8-D74 PolarHBondContact O-N 3.21Å; D74-H98 PolarHBondContact O-CD2 2.94Å; D74-H98 VanDerWaalsContact O-CD2 3.31Å; D74-H98 PolarHBondContact O-N 2.82Å; D74-K312 HydrophobicContact CB-CD 4.2Å; D74-K312 IonicContact OD1-NZ 2.64Å; D74-K312 PolarHBondContact OD1-NZ 2.68Å; D74-K312 IonicContact OD2-NZ 3.27Å; D74-K312 PolarHBondContact OD2-NZ 2.79Å | ||
| 75 | A | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 158 | -176.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | I7 R8 I9 G10 V73 H98 F304 | I7-A75 HydrophobicContact CG2-CB 4.29Å; R8-A75 PolarHBondContact O-N 2.91Å; I9-A75 CarbonylContact C-O 3.59Å; I9-A75 WeakPolarHBondContact CA-O 3.31Å; I9-A75 HydrophobicContact CG1-CB 4.48Å; G10-A75 PolarHBondContact N-O 2.95Å; V73-A75 WeakPolarHBondContact CG1-O 3.27Å; A75-H98 CarbonylContact C-O 3.46Å; A75-H98 WeakPolarHBondContact CA-O 3.37Å; A75-H98 HydrophobicContact CB-CB 3.78Å; A75-H98 WeakPolarHBondContact CB-O 3.35Å; A75-F304 HydrophobicContact CB-CE1 3.52Å; A75-F304 HydrophobicContact CB-CZ 3.8Å |
| 76 | V | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 137.3 | -176.9 | -177.4 | 0 | 0 | 0 | 0 | 110.4 | G10 L12 L67 L68 V73 F78 K97 H98 L100 | G10-V76 WeakPolarHBondContact O-CA 3.23Å; L12-V76 HydrophobicContact CD1-CG1 4.1Å; L12-V76 HydrophobicContact CD2-CG1 3.98Å; L12-V76 HydrophobicContact CG-CG1 3.71Å; L67-V76 HydrophobicContact CD2-CG1 4.06Å; L67-V76 HydrophobicContact CD2-CG2 3.74Å; L68-V76 HydrophobicContact CD2-CB 4.45Å; L68-V76 HydrophobicContact CD2-CG1 4.3Å; L68-V76 HydrophobicContact CD2-CG2 3.81Å; V73-V76 HydrophobicContact CG1-CG2 3.73Å; V76-F78 HydrophobicContact CB-CD2 4.36Å; V76-F78 HydrophobicContact CB-CE2 3.49Å; V76-F78 VanDerWaalsContact CB-CE2 3.49Å; V76-F78 HydrophobicContact CB-CZ 3.61Å; V76-F78 HydrophobicContact CG1-CD2 4.13Å; V76-F78 HydrophobicContact CG1-CE1 4.01Å; V76-F78 HydrophobicContact CG1-CE2 3.56Å; V76-F78 HydrophobicContact CG1-CZ 3.46Å; V76-F78 VanDerWaalsContact CG1-CZ 3.46Å; V76-F78 WeakPolarHBondContact O-CD2 3.32Å; V76-F78 WeakPolarHBondContact O-CE2 3.47Å; V76-K97 HydrophobicContact CG2-CB 4.02Å; V76-K97 HydrophobicContact CG2-CG 4.17Å; V76-H98 PolarHBondContact N-O 3.44Å; V76-L100 PolarHBondContact O-N 2.93Å |
| 77 | Y | 98.8 | Very high | 97.9 | Very high | 4 Ų | 4 | 32.4 Ų | 32.4 | 2% | 0.016 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 130.7 | 170.5 | 176.3 | -127.8 | 0 | 0 | 0 | 111.2 | G10 L11 L12 V18 L21 P79 L100 D102 | G10-Y77 PolarHBondContact O-N 3.24Å; L11-Y77 HydrophobicContact CD2-CD1 4.2Å; L12-Y77 PolarHBondContact N-O 2.93Å; L12-Y77 VanDerWaalsContact N-O 3.15Å; V18-Y77 HydrophobicContact CG2-CD1 4.4Å; V18-Y77 HydrophobicContact CG2-CE1 4.33Å; L21-Y77 HydrophobicContact CB-CD1 4.24Å; L21-Y77 HydrophobicContact CB-CE1 3.9Å; L21-Y77 HydrophobicContact CD2-CD1 3.17Å; L21-Y77 HydrophobicContact CD2-CD2 3.56Å; L21-Y77 HydrophobicContact CD2-CE1 3.51Å; L21-Y77 HydrophobicContact CD2-CE2 3.93Å; L21-Y77 HydrophobicContact CD2-CG 3.18Å; L21-Y77 HydrophobicContact CG-CD1 4.3Å; L21-Y77 HydrophobicContact CG-CE1 4.28Å; Y77-P79 VanDerWaalsContact C-CD 3.45Å; Y77-P79 HydrophobicContact CD1-CB 4.23Å; Y77-P79 HydrophobicContact CD1-CG 3.65Å; Y77-P79 HydrophobicContact CE1-CB 3.51Å; Y77-P79 HydrophobicContact CE1-CG 3.39Å; Y77-P79 HydrophobicContact CE2-CB 4.44Å; Y77-P79 HydrophobicContact CG-CG 4.49Å; Y77-P79 WeakPolarHBondContact O-CD 3.5Å; Y77-L100 VanDerWaalsContact CA-O 3.31Å; Y77-L100 WeakPolarHBondContact CA-O 3.39Å; Y77-L100 HydrophobicContact CD2-CB 4.3Å; Y77-L100 HydrophobicContact CD2-CD2 4.05Å; Y77-L100 HydrophobicContact CD2-CG 3.96Å; Y77-L100 VanDerWaalsContact CD2-O 3.27Å; Y77-L100 WeakPolarHBondContact CD2-O 3.27Å; Y77-D102 HydrophobicContact CE2-CB 4.43Å |
| 78 | F | 98.2 | Very high | 97.9 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 76.5 | -173.5 | -59.9 | -102 | 0 | 0 | 0 | 112.7 | L12 V76 I80 W88 A92 I99 L100 L101 D102 | L12-F78 HydrophobicContact CD1-CD1 3.35Å; L12-F78 HydrophobicContact CD1-CE1 3.58Å; L12-F78 HydrophobicContact CD1-CG 4.1Å; L12-F78 HydrophobicContact CD1-CZ 4.49Å; L12-F78 HydrophobicContact CG-CD1 4.45Å; V76-F78 HydrophobicContact CB-CD2 4.36Å; V76-F78 HydrophobicContact CB-CE2 3.49Å; V76-F78 VanDerWaalsContact CB-CE2 3.49Å; V76-F78 HydrophobicContact CB-CZ 3.61Å; V76-F78 HydrophobicContact CG1-CD2 4.13Å; V76-F78 HydrophobicContact CG1-CE1 4.01Å; V76-F78 HydrophobicContact CG1-CE2 3.56Å; V76-F78 HydrophobicContact CG1-CZ 3.46Å; V76-F78 VanDerWaalsContact CG1-CZ 3.46Å; V76-F78 WeakPolarHBondContact O-CD2 3.32Å; V76-F78 WeakPolarHBondContact O-CE2 3.47Å; F78-I80 HydrophobicContact CB-CG1 4.47Å; F78-I80 HydrophobicContact CD1-CD1 4.35Å; F78-I80 PolarHBondContact O-N 3.46Å; F78-W88 HydrophobicContact CD1-CB 4.05Å; F78-W88 HydrophobicContact CE1-CB 3.95Å; F78-A92 HydrophobicContact CE1-CB 4.07Å; F78-A92 HydrophobicContact CE2-CB 4.38Å; F78-A92 HydrophobicContact CZ-CB 3.4Å; F78-A92 VanDerWaalsContact CZ-CB 3.4Å; F78-I99 HydrophobicContact CD2-CG2 3.92Å; F78-I99 HydrophobicContact CE2-CB 4.29Å; F78-I99 HydrophobicContact CE2-CG1 4.22Å; F78-I99 HydrophobicContact CE2-CG2 3.77Å; F78-L100 PolarHBondContact N-O 2.92Å; F78-L101 HydrophobicContact CB-CD1 3.42Å; F78-L101 VanDerWaalsContact CB-CD1 3.42Å; F78-L101 HydrophobicContact CD2-CD1 4.39Å; F78-L101 HydrophobicContact CG-CD1 3.96Å; F78-D102 VanDerWaalsContact O-CB 3.29Å; F78-D102 WeakPolarHBondContact O-CB 3.19Å; F78-D102 PolarHBondContact O-N 2.93Å |
| 79 | P | 96.1 | Very high | 97.9 | Very high | 7 Ų | 7 | 33.4 Ų | 33.4 | 5% | 0.045 | 17% | 0.168 | C | C | . | . | trans | -89.7 | 46.7 | 173.1 | 36.1 | -31.8 | 0 | 0 | 0 | 111.5 | L12 K17 V18 Y77 | L12-P79 WeakPolarHBondContact O-CD 3.33Å; L12-P79 VanDerWaalsContact O-CG 3.26Å; L12-P79 WeakPolarHBondContact O-CG 3.14Å; K17-P79 HydrophobicContact CB-CB 3.96Å; K17-P79 HydrophobicContact CD-CB 4.19Å; V18-P79 HydrophobicContact CG2-CB 4.35Å; V18-P79 HydrophobicContact CG2-CG 3.3Å; Y77-P79 VanDerWaalsContact C-CD 3.45Å; Y77-P79 HydrophobicContact CD1-CB 4.23Å; Y77-P79 HydrophobicContact CD1-CG 3.65Å; Y77-P79 HydrophobicContact CE1-CB 3.51Å; Y77-P79 HydrophobicContact CE1-CG 3.39Å; Y77-P79 HydrophobicContact CE2-CB 4.44Å; Y77-P79 HydrophobicContact CG-CG 4.49Å; Y77-P79 WeakPolarHBondContact O-CD 3.5Å | ||
| 80 | I | 95.9 | Very high | 97.9 | Very high | 4 Ų | 4 | 29 Ų | 29 | 2% | 0.021 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -99.3 | 167.5 | 179.9 | 63.3 | -179.1 | 0 | 0 | 0 | 109 | L12 Y64 F78 L84 H85 W88 | L12-I80 HydrophobicContact CB-CG2 4.15Å; Y64-I80 HydrophobicContact CE2-CG2 4.25Å; F78-I80 HydrophobicContact CB-CG1 4.47Å; F78-I80 HydrophobicContact CD1-CD1 4.35Å; F78-I80 PolarHBondContact O-N 3.46Å; I80-L84 HydrophobicContact CD1-CB 3.81Å; I80-L84 HydrophobicContact CG1-CB 4.19Å; I80-H85 PolarHBondContact O-NE2 3.02Å; I80-W88 HydrophobicContact CD1-CB 3.9Å; I80-W88 HydrophobicContact CD1-CG 3.93Å |
| 81 | P | 96.2 | Very high | 97.9 | Very high | 30 Ų | 30 | 31.1 Ų | 31.1 | 20% | 0.195 | 16% | 0.16 | C | C | . | . | trans | -55 | 142.7 | 175.9 | -28.9 | 35.4 | 0 | 0 | 0 | 113.1 | R83 L84 H85 L180 D181 | P81-R83 PolarHBondContact O-N 2.78Å; P81-R83 VanDerWaalsContact O-N 3.13Å; P81-L84 HydrophobicContact CG-CD1 4.43Å; P81-L84 WeakPolarHBondContact O-CB 3.39Å; P81-L84 PolarHBondContact O-N 2.88Å; P81-H85 PolarHBondContact O-CD2 3.08Å; P81-L180 HydrophobicContact CB-CB 4.14Å; P81-L180 HydrophobicContact CB-CD2 4.08Å; P81-L180 HydrophobicContact CG-CD2 4.18Å; P81-D181 WeakPolarHBondContact CA-OD1 3.5Å | ||
| 82 | T | 97.6 | Very high | 98 | Very high | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.006 | 13% | 0.129 | C | C | . | . | G | 310 helix | trans | -53 | -40.1 | -176.1 | -53.5 | 0 | 0 | 0 | 0 | 112.3 | L84 H85 P104 A106 L107 D181 | T82-L84 PolarHBondContact O-N 2.97Å; T82-H85 WeakPolarHBondContact O-CB 3.35Å; T82-H85 PolarHBondContact O-N 2.89Å; T82-P104 HydrophobicContact CG2-CG 3.96Å; T82-A106 VanDerWaalsContact CG2-O 3.31Å; T82-A106 WeakPolarHBondContact CG2-O 3.32Å; T82-L107 HydrophobicContact CG2-CD2 3.84Å; T82-L107 HydrophobicContact CG2-CG 4.22Å; T82-D181 PolarHBondContact N-OD1 3.48Å; T82-D181 PolarHBondContact OG1-OD1 2.7Å |
| 83 | R | 97.1 | Very high | 98.1 | Very high | 119 Ų | 119 | 22.6 Ų | 22.6 | 45% | 0.449 | 11% | 0.109 | S | C | . | . | G | 310 helix | trans | -53.9 | -26.8 | 177.2 | -178.7 | 63.8 | -174.6 | 87.2 | -7.3 | 114.3 | P81 L107 G179 L180 | P81-R83 PolarHBondContact O-N 2.78Å; P81-R83 VanDerWaalsContact O-N 3.13Å; R83-L107 HydrophobicContact CB-CD1 4.25Å; R83-L107 HydrophobicContact CG-CD1 4.44Å; R83-G179 WeakPolarHBondContact CB-O 3.32Å; R83-G179 WeakPolarHBondContact CG-O 3.28Å; R83-L180 WeakPolarHBondContact CB-O 3.35Å; R83-L180 PolarHBondContact N-O 3.38Å; R83-L180 VanDerWaalsContact N-O 3.08Å |
| 84 | L | 97.3 | Very high | 98.1 | Very high | 54 Ų | 54 | 27 Ų | 27 | 28% | 0.283 | 13% | 0.132 | S | C | . | . | G | 310 helix | trans | -93.9 | -7.5 | -177 | -59.9 | -175.7 | 0 | 0 | 0 | 112.9 | I80 P81 T82 V86 E87 W88 | I80-L84 HydrophobicContact CD1-CB 3.81Å; I80-L84 HydrophobicContact CG1-CB 4.19Å; P81-L84 HydrophobicContact CG-CD1 4.43Å; P81-L84 WeakPolarHBondContact O-CB 3.39Å; P81-L84 PolarHBondContact O-N 2.88Å; T82-L84 PolarHBondContact O-N 2.97Å; L84-V86 PolarHBondContact O-N 3.3Å; L84-E87 PolarHBondContact O-N 3.12Å; L84-W88 VanDerWaalsContact O-CD1 3.23Å; L84-W88 PolarHBondContact O-N 2.7Å |
| 85 | H | 98.3 | Very high | 98.1 | Very high | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -59.6 | -48.5 | -174.6 | -73.9 | -169.8 | 0 | 0 | 0 | 112.8 | I80 P81 T82 E87 W88 A89 L101 D102 P104 V105 I115 | I80-H85 PolarHBondContact O-NE2 3.02Å; P81-H85 PolarHBondContact O-CD2 3.08Å; T82-H85 WeakPolarHBondContact O-CB 3.35Å; T82-H85 PolarHBondContact O-N 2.89Å; H85-E87 PolarHBondContact O-N 3.3Å; H85-W88 PolarHBondContact O-N 3.46Å; H85-A89 WeakPolarHBondContact O-CB 3.42Å; H85-A89 PolarHBondContact O-N 2.81Å; H85-L101 HydrophobicContact CB-CD1 4.01Å; H85-L101 HydrophobicContact CB-CD2 4.18Å; H85-D102 PolarHBondContact CE1-O 3.36Å; H85-P104 PolarHBondContact CE1-O 2.92Å; H85-P104 PolarHBondContact ND1-O 2.87Å; H85-P104 VanDerWaalsContact ND1-O 3.1Å; H85-V105 VanDerWaalsContact CB-O 3.29Å; H85-V105 WeakPolarHBondContact CB-O 3.37Å; H85-V105 PolarHBondContact ND1-O 2.94Å; H85-I115 HydrophobicContact CB-CD1 4.34Å |
| 86 | V | 98.5 | Very high | 98.1 | Very high | 17 Ų | 17 | 32.6 Ų | 32.6 | 10% | 0.103 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -57.1 | -49.3 | -176.9 | -177.7 | 0 | 0 | 0 | 0 | 111.5 | L84 T90 A106 E111 Q114 I115 | L84-V86 PolarHBondContact O-N 3.3Å; V86-T90 WeakPolarHBondContact O-CB 3.41Å; V86-T90 PolarHBondContact O-N 3.09Å; V86-T90 VanDerWaalsContact O-N 3.1Å; V86-T90 PolarHBondContact O-OG1 3.2Å; V86-A106 HydrophobicContact CG2-CB 4.43Å; V86-E111 HydrophobicContact CG2-CB 3.57Å; V86-E111 HydrophobicContact CG2-CG 3.93Å; V86-Q114 HydrophobicContact CG1-CB 4.16Å; V86-I115 HydrophobicContact CG2-CD1 4.32Å |
| 87 | E | 98.2 | Very high | 98.1 | Very high | 119 Ų | 119 | 33.4 Ų | 33.4 | 56% | 0.556 | 17% | 0.171 | S | C | * | . | H | α-helix | trans | -59.6 | -55.6 | -178.3 | 179.1 | 178.1 | -176.1 | 0 | 0 | 111.3 | L84 H85 L91 | L84-E87 PolarHBondContact O-N 3.12Å; H85-E87 PolarHBondContact O-N 3.3Å; E87-L91 WeakPolarHBondContact O-CB 3.32Å; E87-L91 PolarHBondContact O-N 2.84Å; E87-L91 VanDerWaalsContact O-N 3.11Å |
| 88 | W | 98.6 | Very high | 98.1 | Very high | 23 Ų | 23 | 33.7 Ų | 33.7 | 9% | 0.087 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -79.8 | -36.7 | -171 | -66.2 | 104.4 | 0 | 0 | 0 | 113.6 | Y64 E65 L68 F78 I80 L84 H85 L91 A92 | Y64-W88 VanDerWaalsContact CB-CZ3 3.42Å; Y64-W88 AromaticContact CD2-CD2 3.84Å; Y64-W88 HydrophobicContact CD2-CD2 3.84Å; Y64-W88 AromaticContact CD2-CE2 3.63Å; Y64-W88 HydrophobicContact CD2-CE3 4.17Å; Y64-W88 HydrophobicContact CD2-CG 4.38Å; Y64-W88 AromaticContact CD2-CH2 3.99Å; Y64-W88 HydrophobicContact CD2-CH2 3.99Å; Y64-W88 AromaticContact CD2-CZ2 3.71Å; Y64-W88 HydrophobicContact CD2-CZ2 3.71Å; Y64-W88 HydrophobicContact CD2-CZ3 4.25Å; Y64-W88 HydrophobicContact CG-CE3 4.47Å; Y64-W88 HydrophobicContact CG-CH2 4.35Å; Y64-W88 HydrophobicContact CG-CZ3 4.37Å; E65-W88 HydrophobicContact CG-CH2 4.08Å; E65-W88 HydrophobicContact CG-CZ3 3.8Å; E65-W88 WeakPolarHBondContact OE1-CH2 3.45Å; L68-W88 HydrophobicContact CD1-CE3 4.14Å; F78-W88 HydrophobicContact CD1-CB 4.05Å; F78-W88 HydrophobicContact CE1-CB 3.95Å; I80-W88 HydrophobicContact CD1-CB 3.9Å; I80-W88 HydrophobicContact CD1-CG 3.93Å; L84-W88 VanDerWaalsContact O-CD1 3.23Å; L84-W88 PolarHBondContact O-N 2.7Å; H85-W88 PolarHBondContact O-N 3.46Å; W88-L91 HydrophobicContact CE3-CD2 4.19Å; W88-L91 HydrophobicContact CZ3-CD2 4.11Å; W88-A92 VanDerWaalsContact O-CB 3.26Å; W88-A92 WeakPolarHBondContact O-CB 3.2Å; W88-A92 PolarHBondContact O-N 3.35Å |
| 89 | A | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -67.9 | -42.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | H85 L91 A92 A93 I99 L101 I115 | H85-A89 WeakPolarHBondContact O-CB 3.42Å; H85-A89 PolarHBondContact O-N 2.81Å; A89-L91 PolarHBondContact O-N 3.03Å; A89-A92 PolarHBondContact O-N 3.44Å; A89-A93 PolarHBondContact O-N 3.44Å; A89-I99 HydrophobicContact CB-CD1 4.02Å; A89-I99 HydrophobicContact CB-CG2 4.39Å; A89-I99 WeakPolarHBondContact O-CD1 3.28Å; A89-L101 HydrophobicContact CB-CD1 4.43Å; A89-L101 HydrophobicContact CB-CD2 4.42Å; A89-I115 HydrophobicContact CB-CD1 4.08Å; A89-I115 HydrophobicContact CB-CG1 4.12Å; A89-I115 HydrophobicContact CB-CG2 3.89Å |
| 90 | T | 98.8 | Very high | 98.2 | Very high | 31 Ų | 31 | 33.4 Ų | 33.4 | 19% | 0.19 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.3 | -45.6 | 175.9 | -60 | 0 | 0 | 0 | 0 | 111.3 | V86 A92 A93 I94 A118 | V86-T90 WeakPolarHBondContact O-CB 3.41Å; V86-T90 PolarHBondContact O-N 3.09Å; V86-T90 VanDerWaalsContact O-N 3.1Å; V86-T90 PolarHBondContact O-OG1 3.2Å; T90-A92 VanDerWaalsContact C-N 3.31Å; T90-A92 PolarHBondContact O-N 3.26Å; T90-A93 PolarHBondContact O-N 3.49Å; T90-I94 HydrophobicContact CG2-CD1 3.88Å; T90-I94 VanDerWaalsContact O-CG1 3.32Å; T90-I94 WeakPolarHBondContact O-CG1 3.44Å; T90-I94 PolarHBondContact O-N 3.1Å; T90-A118 HydrophobicContact CG2-CB 3.73Å |
| 91 | L | 98.7 | Very high | 98.4 | Very high | 51 Ų | 51 | 33.2 Ų | 33.2 | 27% | 0.267 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -61.2 | -40.8 | 176.7 | -178.4 | 58.3 | 0 | 0 | 0 | 111.8 | E65 L68 E87 W88 A89 I94 K95 | E65-L91 HydrophobicContact CG-CD2 4.34Å; L68-L91 HydrophobicContact CD1-CB 4.18Å; L68-L91 HydrophobicContact CD1-CD2 3.93Å; L68-L91 HydrophobicContact CD1-CG 3.83Å; E87-L91 WeakPolarHBondContact O-CB 3.32Å; E87-L91 PolarHBondContact O-N 2.84Å; E87-L91 VanDerWaalsContact O-N 3.11Å; W88-L91 HydrophobicContact CE3-CD2 4.19Å; W88-L91 HydrophobicContact CZ3-CD2 4.11Å; A89-L91 PolarHBondContact O-N 3.03Å; L91-I94 PolarHBondContact O-N 3.44Å; L91-K95 HydrophobicContact CD1-CG 4.33Å; L91-K95 WeakPolarHBondContact O-CG 3.34Å; L91-K95 PolarHBondContact O-N 2.93Å |
| 92 | A | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.1 | -42.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L68 F78 W88 A89 T90 I94 K95 G96 K97 I99 | L68-A92 HydrophobicContact CD1-CB 4.09Å; L68-A92 HydrophobicContact CD2-CB 3.64Å; L68-A92 HydrophobicContact CG-CB 4.49Å; F78-A92 HydrophobicContact CE1-CB 4.07Å; F78-A92 HydrophobicContact CE2-CB 4.38Å; F78-A92 HydrophobicContact CZ-CB 3.4Å; F78-A92 VanDerWaalsContact CZ-CB 3.4Å; W88-A92 VanDerWaalsContact O-CB 3.26Å; W88-A92 WeakPolarHBondContact O-CB 3.2Å; W88-A92 PolarHBondContact O-N 3.35Å; A89-A92 PolarHBondContact O-N 3.44Å; T90-A92 VanDerWaalsContact C-N 3.31Å; T90-A92 PolarHBondContact O-N 3.26Å; A92-I94 PolarHBondContact O-N 3.42Å; A92-K95 CarbonylContact O-C 3.56Å; A92-K95 PolarHBondContact O-N 2.85Å; A92-K95 VanDerWaalsContact O-N 3.14Å; A92-G96 PolarHBondContact O-N 3.26Å; A92-K97 HydrophobicContact CB-CB 4.15Å; A92-K97 WeakPolarHBondContact O-CB 3.46Å; A92-K97 PolarHBondContact O-N 2.87Å; A92-I99 HydrophobicContact CB-CD1 4.39Å |
| 93 | A | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -59.8 | -45.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | A89 T90 K95 G96 I99 A118 N122 V124 | A89-A93 PolarHBondContact O-N 3.44Å; T90-A93 PolarHBondContact O-N 3.49Å; A93-K95 PolarHBondContact O-N 3.19Å; A93-G96 WeakPolarHBondContact O-CA 3.29Å; A93-G96 PolarHBondContact O-N 3.38Å; A93-I99 HydrophobicContact CB-CD1 4Å; A93-A118 HydrophobicContact CB-CB 3.89Å; A93-N122 WeakPolarHBondContact O-CB 3.42Å; A93-V124 HydrophobicContact CB-CG2 3.83Å |
| 94 | I | 98.7 | Very high | 98.5 | Very high | 97 Ų | 97 | 27 Ų | 27 | 50% | 0.497 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -59.6 | -34.2 | 176 | -68.6 | 164.1 | 0 | 0 | 0 | 111.8 | T90 L91 A92 G96 | T90-I94 HydrophobicContact CG2-CD1 3.88Å; T90-I94 VanDerWaalsContact O-CG1 3.32Å; T90-I94 WeakPolarHBondContact O-CG1 3.44Å; T90-I94 PolarHBondContact O-N 3.1Å; L91-I94 PolarHBondContact O-N 3.44Å; A92-I94 PolarHBondContact O-N 3.42Å; I94-G96 PolarHBondContact O-N 3.43Å |
| 95 | K | 98.5 | Very high | 98.6 | Very high | 86 Ų | 86 | 24.5 Ų | 24.5 | 37% | 0.374 | 13% | 0.13 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | 7.7 | 175.6 | -62.4 | -79.4 | -177.1 | 163.1 | 0 | 112.9 | L68 E69 L91 A92 A93 K97 | L68-K95 HydrophobicContact CB-CG 4.39Å; E69-K95 IonicContact OE1-NZ 3.02Å; E69-K95 PolarHBondContact OE1-NZ 3.45Å; L91-K95 HydrophobicContact CD1-CG 4.33Å; L91-K95 WeakPolarHBondContact O-CG 3.34Å; L91-K95 PolarHBondContact O-N 2.93Å; A92-K95 CarbonylContact O-C 3.56Å; A92-K95 PolarHBondContact O-N 2.85Å; A92-K95 VanDerWaalsContact O-N 3.14Å; A93-K95 PolarHBondContact O-N 3.19Å; K95-K97 VanDerWaalsContact C-N 3.34Å; K95-K97 HydrophobicContact CB-CG 4.35Å; K95-K97 PolarHBondContact O-N 3.49Å |
| 96 | G | 98.5 | Very high | 98.6 | Very high | 41 Ų | 41 | 24.4 Ų | 24.4 | 42% | 0.423 | 13% | 0.13 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73 | 21.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | A92 A93 I94 | A92-G96 PolarHBondContact O-N 3.26Å; A93-G96 WeakPolarHBondContact O-CA 3.29Å; A93-G96 PolarHBondContact O-N 3.38Å; I94-G96 PolarHBondContact O-N 3.43Å |
| 97 | K | 98.9 | Very high | 98.5 | Very high | 16 Ų | 16 | 25.2 Ų | 25.2 | 7% | 0.07 | 13% | 0.133 | C | C | . | . | trans | -89.7 | 132.8 | 178.2 | -51.6 | -52 | -175.7 | -171.5 | 0 | 110.5 | L68 D70 V73 V76 A92 K95 | L68-K97 HydrophobicContact CD2-CG 4.31Å; L68-K97 WeakPolarHBondContact O-CE 3.48Å; D70-K97 PolarHBondContact O-NZ 3.3Å; V73-K97 HydrophobicContact CG1-CD 4.43Å; V73-K97 WeakPolarHBondContact O-CD 3.41Å; V73-K97 WeakPolarHBondContact O-CE 3.44Å; V73-K97 PolarHBondContact O-NZ 3.44Å; V76-K97 HydrophobicContact CG2-CB 4.02Å; V76-K97 HydrophobicContact CG2-CG 4.17Å; A92-K97 HydrophobicContact CB-CB 4.15Å; A92-K97 WeakPolarHBondContact O-CB 3.46Å; A92-K97 PolarHBondContact O-N 2.87Å; K95-K97 VanDerWaalsContact C-N 3.34Å; K95-K97 HydrophobicContact CB-CG 4.35Å; K95-K97 PolarHBondContact O-N 3.49Å | ||
| 98 | H | 98.9 | Very high | 98.5 | Very high | 11 Ų | 11 | 21.9 Ų | 21.9 | 5% | 0.051 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 148.2 | 169.2 | -56.7 | -98.9 | 0 | 0 | 0 | 110.3 | D74 A75 V76 Q125 F304 V308 | D74-H98 PolarHBondContact O-CD2 2.94Å; D74-H98 VanDerWaalsContact O-CD2 3.31Å; D74-H98 PolarHBondContact O-N 2.82Å; A75-H98 CarbonylContact C-O 3.46Å; A75-H98 WeakPolarHBondContact CA-O 3.37Å; A75-H98 HydrophobicContact CB-CB 3.78Å; A75-H98 WeakPolarHBondContact CB-O 3.35Å; V76-H98 PolarHBondContact N-O 3.44Å; H98-Q125 HydrophobicContact CB-CB 4.36Å; H98-Q125 WeakPolarHBondContact ND1-CB 3.34Å; H98-Q125 PolarHBondContact ND1-N 3.49Å; H98-F304 HydrophobicContact CB-CE2 4.48Å; H98-F304 HydrophobicContact CB-CZ 3.92Å; H98-V308 HydrophobicContact CB-CG1 4.37Å; H98-V308 HydrophobicContact CB-CG2 3.58Å; H98-V308 VanDerWaalsContact CD2-CG1 3.5Å; H98-V308 WeakPolarHBondContact CD2-CG1 3.05Å |
| 99 | I | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 120.6 | -164.9 | -59 | -174.3 | 0 | 0 | 0 | 110.7 | F78 A89 A92 A93 L101 Q125 F126 M127 F304 | F78-I99 HydrophobicContact CD2-CG2 3.92Å; F78-I99 HydrophobicContact CE2-CB 4.29Å; F78-I99 HydrophobicContact CE2-CG1 4.22Å; F78-I99 HydrophobicContact CE2-CG2 3.77Å; A89-I99 HydrophobicContact CB-CD1 4.02Å; A89-I99 HydrophobicContact CB-CG2 4.39Å; A89-I99 WeakPolarHBondContact O-CD1 3.28Å; A92-I99 HydrophobicContact CB-CD1 4.39Å; A93-I99 HydrophobicContact CB-CD1 4Å; I99-L101 HydrophobicContact CG2-CB 3.9Å; I99-Q125 PolarHBondContact N-O 3.42Å; I99-F126 HydrophobicContact CB-CD2 4.13Å; I99-F126 HydrophobicContact CG2-CD2 3.82Å; I99-F126 HydrophobicContact CG2-CE2 4.02Å; I99-F126 CarbonylContact O-C 3.58Å; I99-F126 WeakPolarHBondContact O-CA 3.42Å; I99-M127 PolarHBondContact O-N 2.94Å; I99-F304 VanDerWaalsContact O-CE2 3.32Å; I99-F304 WeakPolarHBondContact O-CE2 3.35Å |
| 100 | L | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 97.5 | 162.5 | -173.7 | 64.1 | 0 | 0 | 0 | 107.8 | L21 V76 Y77 F78 M127 M300 F304 | L21-L100 HydrophobicContact CD1-CD2 4.43Å; L21-L100 HydrophobicContact CD2-CD2 4Å; V76-L100 PolarHBondContact O-N 2.93Å; Y77-L100 VanDerWaalsContact CA-O 3.31Å; Y77-L100 WeakPolarHBondContact CA-O 3.39Å; Y77-L100 HydrophobicContact CD2-CB 4.3Å; Y77-L100 HydrophobicContact CD2-CD2 4.05Å; Y77-L100 HydrophobicContact CD2-CG 3.96Å; Y77-L100 VanDerWaalsContact CD2-O 3.27Å; Y77-L100 WeakPolarHBondContact CD2-O 3.27Å; F78-L100 PolarHBondContact N-O 2.92Å; L100-M127 CarbonylContact C-O 3.57Å; L100-M127 WeakPolarHBondContact CA-O 3.41Å; L100-M127 HydrophobicContact CD1-CB 3.96Å; L100-M127 HydrophobicContact CD1-CG 4.08Å; L100-M127 HydrophobicContact CD1-SD 4.26Å; L100-M300 HydrophobicContact CD1-CE 4.48Å; L100-M300 HydrophobicContact CD1-SD 4.49Å; L100-M300 HydrophobicContact CD2-CE 4.26Å; L100-F304 HydrophobicContact CB-CD1 4.29Å; L100-F304 HydrophobicContact CB-CE1 3.96Å; L100-F304 HydrophobicContact CB-CE2 4.36Å; L100-F304 HydrophobicContact CB-CZ 4Å; L100-F304 HydrophobicContact CD1-CD2 4.42Å; L100-F304 HydrophobicContact CD1-CG 4.33Å; L100-F304 HydrophobicContact CD2-CD1 4.43Å |
| 101 | L | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 132.5 | -171.8 | -173.1 | 58.3 | 0 | 0 | 0 | 110.7 | F78 H85 A89 I99 V105 I115 F126 M127 D128 G129 | F78-L101 HydrophobicContact CB-CD1 3.42Å; F78-L101 VanDerWaalsContact CB-CD1 3.42Å; F78-L101 HydrophobicContact CD2-CD1 4.39Å; F78-L101 HydrophobicContact CG-CD1 3.96Å; H85-L101 HydrophobicContact CB-CD1 4.01Å; H85-L101 HydrophobicContact CB-CD2 4.18Å; A89-L101 HydrophobicContact CB-CD1 4.43Å; A89-L101 HydrophobicContact CB-CD2 4.42Å; I99-L101 HydrophobicContact CG2-CB 3.9Å; L101-V105 HydrophobicContact CD2-CB 4.19Å; L101-V105 WeakPolarHBondContact CD2-O 3.31Å; L101-I115 HydrophobicContact CD2-CD1 3.95Å; L101-F126 HydrophobicContact CB-CE2 3.63Å; L101-F126 HydrophobicContact CB-CZ 3.88Å; L101-F126 HydrophobicContact CD2-CE2 3.66Å; L101-F126 HydrophobicContact CD2-CZ 4Å; L101-F126 HydrophobicContact CG-CE2 4.32Å; L101-M127 PolarHBondContact N-O 3.03Å; L101-D128 CarbonylContact O-C 3.56Å; L101-D128 VanDerWaalsContact O-C 3.31Å; L101-D128 WeakPolarHBondContact O-CA 3.44Å; L101-G129 PolarHBondContact O-N 3.15Å |
| 102 | D | 97.6 | Very high | 98.5 | Very high | 8 Ų | 8 | 22.6 Ų | 22.6 | 4% | 0.043 | 13% | 0.131 | C | C | . | . | P | Polyproline II helix | trans | -65.7 | 156.4 | 175.5 | -159.4 | 13 | 0 | 0 | 0 | 111.4 | K17 Y77 F78 H85 | K17-D102 WeakPolarHBondContact CD-OD2 3.33Å; K17-D102 VanDerWaalsContact CE-OD2 3.28Å; K17-D102 WeakPolarHBondContact CE-OD2 3.18Å; K17-D102 IonicContact NZ-OD2 3.71Å; K17-D102 PolarHBondContact NZ-OD2 3.33Å; Y77-D102 HydrophobicContact CE2-CB 4.43Å; F78-D102 VanDerWaalsContact O-CB 3.29Å; F78-D102 WeakPolarHBondContact O-CB 3.19Å; F78-D102 PolarHBondContact O-N 2.93Å; H85-D102 PolarHBondContact CE1-O 3.36Å |
| 103 | K | 97.9 | Very high | 98.4 | Very high | 10 Ų | 10 | 24.9 Ų | 24.9 | 4% | 0.043 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -89.5 | 149.3 | 175.8 | 62.4 | 84.5 | -141.2 | 174 | 0 | 110.8 | D188 W191 Y192 | K103-D188 PolarHBondContact NZ-O 3.13Å; K103-D188 IonicContact NZ-OD1 2.84Å; K103-D188 PolarHBondContact NZ-OD1 2.82Å; K103-W191 HydrophobicContact CB-CD2 4.08Å; K103-W191 HydrophobicContact CB-CG 4.18Å; K103-W191 HydrophobicContact CB-CZ2 4.26Å; K103-W191 HydrophobicContact CD-CB 4.39Å; K103-W191 HydrophobicContact CD-CG 4.07Å; K103-W191 HydrophobicContact CG-CG 4.45Å; K103-Y192 HydrophobicContact CD-CE2 3.99Å; K103-Y192 VanDerWaalsContact CE-OH 3.25Å; K103-Y192 WeakPolarHBondContact CE-OH 3.41Å |
| 104 | P | 98.4 | Very high | 98.4 | Very high | 3 Ų | 3 | 29.5 Ų | 29.5 | 2% | 0.019 | 17% | 0.165 | C | C | . | . | S | Bend | cis | -70.7 | 153 | -7.9 | 30.8 | -34.4 | 0 | 0 | 0 | 111.6 | T82 H85 A106 L183 G187 W191 | T82-P104 HydrophobicContact CG2-CG 3.96Å; H85-P104 PolarHBondContact CE1-O 2.92Å; H85-P104 PolarHBondContact ND1-O 2.87Å; H85-P104 VanDerWaalsContact ND1-O 3.1Å; P104-A106 PolarHBondContact O-N 2.92Å; P104-L183 HydrophobicContact CB-CD1 4.1Å; P104-L183 HydrophobicContact CG-CD1 3.98Å; P104-G187 WeakPolarHBondContact CD-O 3.3Å; P104-W191 HydrophobicContact CB-CD2 4.4Å; P104-W191 HydrophobicContact CB-CE3 3.69Å; P104-W191 HydrophobicContact CB-CZ3 3.99Å |
| 105 | V | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 14% | 0.142 | C | C | . | . | trans | -71.9 | -29.2 | -167.3 | -66.3 | 0 | 0 | 0 | 0 | 114.3 | H85 L101 F112 F126 D128 W191 Q330 | H85-V105 VanDerWaalsContact CB-O 3.29Å; H85-V105 WeakPolarHBondContact CB-O 3.37Å; H85-V105 PolarHBondContact ND1-O 2.94Å; L101-V105 HydrophobicContact CD2-CB 4.19Å; L101-V105 WeakPolarHBondContact CD2-O 3.31Å; V105-F112 HydrophobicContact CB-CD2 3.49Å; V105-F112 VanDerWaalsContact CB-CD2 3.49Å; V105-F112 HydrophobicContact CB-CE2 3.55Å; V105-F112 HydrophobicContact CB-CG 4.24Å; V105-F112 HydrophobicContact CB-CZ 4.3Å; V105-F112 HydrophobicContact CG1-CD2 4.41Å; V105-F112 HydrophobicContact CG1-CE2 3.99Å; V105-F112 HydrophobicContact CG1-CZ 4.4Å; V105-F112 HydrophobicContact CG2-CB 4.07Å; V105-F112 HydrophobicContact CG2-CD1 4.03Å; V105-F112 HydrophobicContact CG2-CD2 3.3Å; V105-F112 HydrophobicContact CG2-CE1 4.32Å; V105-F112 HydrophobicContact CG2-CE2 3.68Å; V105-F112 HydrophobicContact CG2-CG 3.51Å; V105-F112 HydrophobicContact CG2-CZ 4.16Å; V105-F126 HydrophobicContact CG1-CE1 4.46Å; V105-F126 HydrophobicContact CG1-CZ 3.91Å; V105-D128 HydrophobicContact CG1-CB 3.7Å; V105-W191 HydrophobicContact CB-CH2 4.25Å; V105-W191 HydrophobicContact CG1-CH2 3.78Å; V105-W191 HydrophobicContact CG1-CZ2 4.04Å; V105-W191 HydrophobicContact CG2-CH2 3.73Å; V105-W191 HydrophobicContact CG2-CZ3 4.19Å; V105-Q330 HydrophobicContact CG2-CB 4.02Å; V105-Q330 HydrophobicContact CG2-CG 4.25Å | ||
| 106 | A | 98.5 | Very high | 98.5 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -158.3 | -178.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | T82 V86 P104 N108 E111 F112 L183 Q330 | T82-A106 VanDerWaalsContact CG2-O 3.31Å; T82-A106 WeakPolarHBondContact CG2-O 3.32Å; V86-A106 HydrophobicContact CG2-CB 4.43Å; P104-A106 PolarHBondContact O-N 2.92Å; A106-N108 VanDerWaalsContact C-N 3.31Å; A106-N108 WeakPolarHBondContact CB-O 3.36Å; A106-E111 HydrophobicContact CB-CB 3.83Å; A106-F112 HydrophobicContact CB-CB 3.95Å; A106-L183 WeakPolarHBondContact O-CD1 3.33Å; A106-Q330 PolarHBondContact O-OE1 2.89Å |
| 107 | L | 97.7 | Very high | 98.5 | Very high | 33 Ų | 33 | 25.9 Ų | 25.9 | 17% | 0.173 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -78.8 | -18.3 | 174.3 | -65 | 176.1 | 0 | 0 | 0 | 113 | T82 R83 E111 L183 | T82-L107 HydrophobicContact CG2-CD2 3.84Å; T82-L107 HydrophobicContact CG2-CG 4.22Å; R83-L107 HydrophobicContact CB-CD1 4.25Å; R83-L107 HydrophobicContact CG-CD1 4.44Å; L107-E111 WeakPolarHBondContact CB-OE2 3.3Å; L107-E111 PolarHBondContact N-OE2 3.43Å; L107-L183 HydrophobicContact CD2-CG 4.36Å |
| 108 | N | 98.1 | Very high | 98.5 | Very high | 50 Ų | 50 | 25.6 Ų | 25.6 | 27% | 0.267 | 14% | 0.138 | S | C | . | . | S | Bend | trans | -160.3 | 169.2 | 173.4 | 58.4 | 73.7 | 0 | 0 | 0 | 110.9 | A106 A110 E111 F112 D334 | A106-N108 VanDerWaalsContact C-N 3.31Å; A106-N108 WeakPolarHBondContact CB-O 3.36Å; N108-A110 VanDerWaalsContact C-N 3.33Å; N108-A110 PolarHBondContact O-N 3.48Å; N108-A110 WeakPolarHBondContact OD1-CB 3.4Å; N108-A110 PolarHBondContact OD1-N 2.94Å; N108-A110 VanDerWaalsContact OD1-N 3.14Å; N108-E111 WeakPolarHBondContact O-CB 3.42Å; N108-E111 PolarHBondContact O-N 3.35Å; N108-E111 PolarHBondContact OD1-N 2.92Å; N108-F112 PolarHBondContact O-N 3.48Å; N108-D334 WeakPolarHBondContact CA-OD1 3.37Å; N108-D334 WeakPolarHBondContact CA-OD2 3.32Å; N108-D334 WeakPolarHBondContact CB-OD2 3.13Å |
| 109 | V | 98.3 | Very high | 98.5 | Very high | 22 Ų | 22 | 25 Ų | 25 | 13% | 0.133 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -65.5 | -33.3 | -178 | 71.8 | 0 | 0 | 0 | 0 | 112.4 | F112 D113 R327 Q330 L331 D334 | V109-F112 CarbonylContact O-C 3.43Å; V109-F112 PolarHBondContact O-N 2.69Å; V109-D113 WeakPolarHBondContact O-CB 3.3Å; V109-D113 VanDerWaalsContact O-CG 3.23Å; V109-D113 PolarHBondContact O-N 2.95Å; V109-R327 HydrophobicContact CG2-CG 3.75Å; V109-Q330 HydrophobicContact CB-CG 4.28Å; V109-L331 HydrophobicContact CG1-CD1 4.3Å; V109-L331 HydrophobicContact CG2-CB 4.28Å; V109-D334 WeakPolarHBondContact CB-OD2 3.27Å; V109-D334 WeakPolarHBondContact CG1-OD2 3.26Å; V109-D334 PolarHBondContact N-OD2 2.77Å |
| 110 | A | 98 | Very high | 98.4 | Very high | 59 Ų | 59 | 31.7 Ų | 31.7 | 49% | 0.488 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -70.2 | -34.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | N108 | N108-A110 VanDerWaalsContact C-N 3.33Å; N108-A110 PolarHBondContact O-N 3.48Å; N108-A110 WeakPolarHBondContact OD1-CB 3.4Å; N108-A110 PolarHBondContact OD1-N 2.94Å; N108-A110 VanDerWaalsContact OD1-N 3.14Å |
| 111 | E | 98.3 | Very high | 98.4 | Very high | 38 Ų | 38 | 36.9 Ų | 36.9 | 18% | 0.178 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -66.5 | -42 | 168.3 | -84.8 | -171.6 | -172.1 | 0 | 0 | 111.7 | V86 A106 L107 N108 D113 Q114 | V86-E111 HydrophobicContact CG2-CB 3.57Å; V86-E111 HydrophobicContact CG2-CG 3.93Å; A106-E111 HydrophobicContact CB-CB 3.83Å; L107-E111 WeakPolarHBondContact CB-OE2 3.3Å; L107-E111 PolarHBondContact N-OE2 3.43Å; N108-E111 WeakPolarHBondContact O-CB 3.42Å; N108-E111 PolarHBondContact O-N 3.35Å; N108-E111 PolarHBondContact OD1-N 2.92Å; E111-D113 VanDerWaalsContact C-N 3.31Å; E111-D113 PolarHBondContact O-N 3.36Å; E111-Q114 WeakPolarHBondContact O-CB 3.45Å; E111-Q114 PolarHBondContact O-N 3.33Å |
| 112 | F | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.6 | -36.3 | 176 | -172.5 | -119.6 | 0 | 0 | 0 | 112.3 | V105 A106 N108 V109 Q114 I115 V116 F126 M323 R327 | V105-F112 HydrophobicContact CB-CD2 3.49Å; V105-F112 VanDerWaalsContact CB-CD2 3.49Å; V105-F112 HydrophobicContact CB-CE2 3.55Å; V105-F112 HydrophobicContact CB-CG 4.24Å; V105-F112 HydrophobicContact CB-CZ 4.3Å; V105-F112 HydrophobicContact CG1-CD2 4.41Å; V105-F112 HydrophobicContact CG1-CE2 3.99Å; V105-F112 HydrophobicContact CG1-CZ 4.4Å; V105-F112 HydrophobicContact CG2-CB 4.07Å; V105-F112 HydrophobicContact CG2-CD1 4.03Å; V105-F112 HydrophobicContact CG2-CD2 3.3Å; V105-F112 HydrophobicContact CG2-CE1 4.32Å; V105-F112 HydrophobicContact CG2-CE2 3.68Å; V105-F112 HydrophobicContact CG2-CG 3.51Å; V105-F112 HydrophobicContact CG2-CZ 4.16Å; A106-F112 HydrophobicContact CB-CB 3.95Å; N108-F112 PolarHBondContact O-N 3.48Å; V109-F112 CarbonylContact O-C 3.43Å; V109-F112 PolarHBondContact O-N 2.69Å; F112-Q114 PolarHBondContact O-N 3.06Å; F112-I115 HydrophobicContact CD2-CB 4.32Å; F112-I115 HydrophobicContact CD2-CD1 4.11Å; F112-I115 HydrophobicContact CE2-CB 4.49Å; F112-I115 HydrophobicContact CE2-CG2 4.47Å; F112-I115 WeakPolarHBondContact O-CA 3.21Å; F112-I115 WeakPolarHBondContact O-CB 3.48Å; F112-I115 PolarHBondContact O-N 2.89Å; F112-V116 HydrophobicContact CD1-CG2 3.81Å; F112-V116 HydrophobicContact CE1-CG2 3.59Å; F112-V116 HydrophobicContact CG-CG2 4.42Å; F112-V116 HydrophobicContact CZ-CG2 4Å; F112-V116 WeakPolarHBondContact O-CG2 3.43Å; F112-V116 PolarHBondContact O-N 2.85Å; F112-F126 AromaticContact CE2-CE1 3.91Å; F112-F126 HydrophobicContact CE2-CE1 3.91Å; F112-F126 AromaticContact CE2-CE2 3.75Å; F112-F126 HydrophobicContact CE2-CE2 3.75Å; F112-F126 AromaticContact CE2-CZ 3.39Å; F112-F126 HydrophobicContact CE2-CZ 3.39Å; F112-F126 HydrophobicContact CZ-CD1 4.21Å; F112-F126 AromaticContact CZ-CE1 3.59Å; F112-F126 HydrophobicContact CZ-CE1 3.59Å; F112-F126 HydrophobicContact CZ-CE2 4.2Å; F112-F126 AromaticContact CZ-CZ 3.6Å; F112-F126 HydrophobicContact CZ-CZ 3.6Å; F112-M323 HydrophobicContact CE1-CG 4.49Å; F112-M323 HydrophobicContact CZ-CG 4.36Å; F112-R327 HydrophobicContact CD1-CB 3.89Å; F112-R327 HydrophobicContact CD1-CG 4.18Å; F112-R327 HydrophobicContact CE1-CB 3.79Å |
| 113 | D | 98.5 | Very high | 98.4 | Very high | 48 Ų | 48 | 41 Ų | 41 | 26% | 0.257 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -60.2 | -27.4 | 177.7 | -76.4 | -15.6 | 0 | 0 | 0 | 112.6 | V109 E111 V116 E117 R327 | V109-D113 WeakPolarHBondContact O-CB 3.3Å; V109-D113 VanDerWaalsContact O-CG 3.23Å; V109-D113 PolarHBondContact O-N 2.95Å; E111-D113 VanDerWaalsContact C-N 3.31Å; E111-D113 PolarHBondContact O-N 3.36Å; D113-V116 WeakPolarHBondContact O-CB 3.14Å; D113-V116 PolarHBondContact O-N 2.84Å; D113-E117 WeakPolarHBondContact O-CB 3.4Å; D113-E117 PolarHBondContact O-N 2.77Å; D113-R327 WeakPolarHBondContact OD1-CD 3.39Å; D113-R327 IonicContact OD1-CZ 3.53Å; D113-R327 IonicContact OD1-NE 2.74Å; D113-R327 PolarHBondContact OD1-NE 3.27Å; D113-R327 IonicContact OD1-NH2 2.89Å; D113-R327 IonicContact OD2-CZ 2.79Å; D113-R327 IonicContact OD2-NE 3.47Å; D113-R327 IonicContact OD2-NH2 3.8Å; D113-R327 PolarHBondContact OD2-NH2 2.83Å |
| 114 | Q | 98.7 | Very high | 98.5 | Very high | 98 Ų | 98 | 40.8 Ų | 40.8 | 46% | 0.458 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -67.9 | -39.7 | 171.6 | -65.3 | 170.5 | 55.8 | 0 | 0 | 112 | V86 E111 F112 A118 | V86-Q114 HydrophobicContact CG1-CB 4.16Å; E111-Q114 WeakPolarHBondContact O-CB 3.45Å; E111-Q114 PolarHBondContact O-N 3.33Å; F112-Q114 PolarHBondContact O-N 3.06Å; Q114-A118 WeakPolarHBondContact O-CB 3.4Å; Q114-A118 PolarHBondContact O-N 3.11Å |
| 115 | I | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -67.5 | -42 | 175.7 | -59.5 | 168.1 | 0 | 0 | 0 | 109.7 | H85 V86 A89 L101 F112 A118 C119 F126 | H85-I115 HydrophobicContact CB-CD1 4.34Å; V86-I115 HydrophobicContact CG2-CD1 4.32Å; A89-I115 HydrophobicContact CB-CD1 4.08Å; A89-I115 HydrophobicContact CB-CG1 4.12Å; A89-I115 HydrophobicContact CB-CG2 3.89Å; L101-I115 HydrophobicContact CD2-CD1 3.95Å; F112-I115 HydrophobicContact CD2-CB 4.32Å; F112-I115 HydrophobicContact CD2-CD1 4.11Å; F112-I115 HydrophobicContact CE2-CB 4.49Å; F112-I115 HydrophobicContact CE2-CG2 4.47Å; F112-I115 WeakPolarHBondContact O-CA 3.21Å; F112-I115 WeakPolarHBondContact O-CB 3.48Å; F112-I115 PolarHBondContact O-N 2.89Å; I115-A118 PolarHBondContact O-N 2.92Å; I115-C119 WeakPolarHBondContact O-CB 3.43Å; I115-C119 PolarHBondContact O-N 3.28Å; I115-C119 PolarHBondContact O-SG 2.68Å; I115-F126 HydrophobicContact CG2-CD2 4.17Å; I115-F126 HydrophobicContact CG2-CE2 4.12Å |
| 116 | V | 98.7 | Very high | 98.5 | Very high | 18 Ų | 18 | 40.7 Ų | 40.7 | 11% | 0.109 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -56 | -55.6 | 175.4 | 167 | 0 | 0 | 0 | 0 | 110.4 | F112 D113 A118 C119 E120 M323 | F112-V116 HydrophobicContact CD1-CG2 3.81Å; F112-V116 HydrophobicContact CE1-CG2 3.59Å; F112-V116 HydrophobicContact CG-CG2 4.42Å; F112-V116 HydrophobicContact CZ-CG2 4Å; F112-V116 WeakPolarHBondContact O-CG2 3.43Å; F112-V116 PolarHBondContact O-N 2.85Å; D113-V116 WeakPolarHBondContact O-CB 3.14Å; D113-V116 PolarHBondContact O-N 2.84Å; V116-A118 VanDerWaalsContact C-N 3.32Å; V116-A118 PolarHBondContact O-N 2.7Å; V116-C119 PolarHBondContact O-N 3.16Å; V116-C119 VanDerWaalsContact O-N 3.12Å; V116-E120 HydrophobicContact CG1-CG 4.47Å; V116-E120 WeakPolarHBondContact O-CG 3.42Å; V116-E120 PolarHBondContact O-N 3.01Å; V116-M323 HydrophobicContact CB-CG 4.37Å; V116-M323 HydrophobicContact CB-SD 3.86Å; V116-M323 HydrophobicContact CG1-CG 4.33Å; V116-M323 HydrophobicContact CG1-SD 3.57Å; V116-M323 VanDerWaalsContact CG1-SD 3.57Å; V116-M323 HydrophobicContact CG2-CG 3.64Å; V116-M323 HydrophobicContact CG2-SD 3.8Å |
| 117 | E | 98.6 | Very high | 98.5 | Very high | 129 Ų | 129 | 40.7 Ų | 40.7 | 60% | 0.603 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -57.1 | -46.7 | 179.7 | -178.2 | 177.6 | -167.8 | 0 | 0 | 111.2 | D113 C119 E120 V121 | D113-E117 WeakPolarHBondContact O-CB 3.4Å; D113-E117 PolarHBondContact O-N 2.77Å; E117-C119 VanDerWaalsContact C-N 3.31Å; E117-C119 PolarHBondContact O-N 3.14Å; E117-E120 PolarHBondContact O-N 3.04Å; E117-V121 HydrophobicContact CG-CG2 4.25Å; E117-V121 WeakPolarHBondContact O-CB 3.35Å; E117-V121 VanDerWaalsContact O-CG2 3.26Å; E117-V121 WeakPolarHBondContact O-CG2 3.46Å; E117-V121 PolarHBondContact O-N 3.08Å |
| 118 | A | 98.8 | Very high | 98.6 | Very high | 10 Ų | 10 | 39.3 Ų | 39.3 | 8% | 0.083 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.6 | -40.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | T90 A93 Q114 I115 V116 N122 | T90-A118 HydrophobicContact CG2-CB 3.73Å; A93-A118 HydrophobicContact CB-CB 3.89Å; Q114-A118 WeakPolarHBondContact O-CB 3.4Å; Q114-A118 PolarHBondContact O-N 3.11Å; I115-A118 PolarHBondContact O-N 2.92Å; V116-A118 VanDerWaalsContact C-N 3.32Å; V116-A118 PolarHBondContact O-N 2.7Å; A118-N122 WeakPolarHBondContact O-CB 3.41Å; A118-N122 PolarHBondContact O-N 3.13Å; A118-N122 PolarHBondContact O-ND2 3.49Å |
| 119 | C | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.9 | -44.7 | 177.4 | -69.2 | 0 | 0 | 0 | 0 | 112.3 | I115 V116 E117 N122 G123 V124 M323 | I115-C119 WeakPolarHBondContact O-CB 3.43Å; I115-C119 PolarHBondContact O-N 3.28Å; I115-C119 PolarHBondContact O-SG 2.68Å; V116-C119 PolarHBondContact O-N 3.16Å; V116-C119 VanDerWaalsContact O-N 3.12Å; E117-C119 VanDerWaalsContact C-N 3.31Å; E117-C119 PolarHBondContact O-N 3.14Å; C119-N122 PolarHBondContact O-N 3.05Å; C119-G123 PolarHBondContact O-N 3.28Å; C119-V124 HydrophobicContact CB-CG2 3.9Å; C119-V124 PolarHBondContact O-N 2.89Å; C119-V124 VanDerWaalsContact O-N 3.07Å; C119-M323 HydrophobicContact CB-CE 3.34Å |
| 120 | E | 98.3 | Very high | 98.6 | Very high | 139 Ų | 139 | 36 Ų | 36 | 65% | 0.65 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -64.3 | -46.2 | 179.9 | -71.8 | -175.7 | 162.7 | 0 | 0 | 111.8 | V116 E117 N122 G123 M323 | V116-E120 HydrophobicContact CG1-CG 4.47Å; V116-E120 WeakPolarHBondContact O-CG 3.42Å; V116-E120 PolarHBondContact O-N 3.01Å; E117-E120 PolarHBondContact O-N 3.04Å; E120-N122 VanDerWaalsContact C-N 3.28Å; E120-N122 PolarHBondContact O-N 3.19Å; E120-G123 PolarHBondContact O-N 2.89Å; E120-M323 HydrophobicContact CG-SD 4.36Å |
| 121 | V | 98.5 | Very high | 98.6 | Very high | 110 Ų | 110 | 34.4 Ų | 34.4 | 67% | 0.667 | 18% | 0.184 | S | C | * | . | H | α-helix | trans | -60.2 | -38.5 | 178.4 | 168 | 0 | 0 | 0 | 0 | 111.6 | E117 | E117-V121 HydrophobicContact CG-CG2 4.25Å; E117-V121 WeakPolarHBondContact O-CB 3.35Å; E117-V121 VanDerWaalsContact O-CG2 3.26Å; E117-V121 WeakPolarHBondContact O-CG2 3.46Å; E117-V121 PolarHBondContact O-N 3.08Å |
| 122 | N | 98.7 | Very high | 98.5 | Very high | 64 Ų | 64 | 32.7 Ų | 32.7 | 34% | 0.342 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -94.5 | 0.1 | -177.3 | -66.7 | -80.8 | 0 | 0 | 0 | 113.7 | A93 A118 C119 E120 V124 | A93-N122 WeakPolarHBondContact O-CB 3.42Å; A118-N122 WeakPolarHBondContact O-CB 3.41Å; A118-N122 PolarHBondContact O-N 3.13Å; A118-N122 PolarHBondContact O-ND2 3.49Å; C119-N122 PolarHBondContact O-N 3.05Å; E120-N122 VanDerWaalsContact C-N 3.28Å; E120-N122 PolarHBondContact O-N 3.19Å; N122-V124 VanDerWaalsContact C-N 3.26Å; N122-V124 HydrophobicContact CB-CG1 4.44Å; N122-V124 PolarHBondContact O-N 2.86Å |
| 123 | G | 98.4 | Very high | 98.5 | Very high | 31 Ų | 31 | 33 Ų | 33 | 32% | 0.32 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64 | 27.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | C119 E120 P318 | C119-G123 PolarHBondContact O-N 3.28Å; E120-G123 PolarHBondContact O-N 2.89Å; G123-P318 WeakPolarHBondContact O-CG 3.28Å |
| 124 | V | 98.8 | Very high | 98.5 | Very high | 4 Ų | 4 | 31.7 Ų | 31.7 | 2% | 0.024 | 17% | 0.169 | C | C | . | . | trans | -95.3 | 151.6 | -179.8 | -64.1 | 0 | 0 | 0 | 0 | 111.6 | A93 C119 N122 P318 | A93-V124 HydrophobicContact CB-CG2 3.83Å; C119-V124 HydrophobicContact CB-CG2 3.9Å; C119-V124 PolarHBondContact O-N 2.89Å; C119-V124 VanDerWaalsContact O-N 3.07Å; N122-V124 VanDerWaalsContact C-N 3.26Å; N122-V124 HydrophobicContact CB-CG1 4.44Å; N122-V124 PolarHBondContact O-N 2.86Å; V124-P318 WeakPolarHBondContact O-CG 3.31Å | ||
| 125 | Q | 98.9 | Very high | 98.4 | Very high | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | trans | -79.6 | 137.3 | 176.3 | -174.7 | 62.1 | 55.9 | 0 | 0 | 109.6 | H98 I99 F304 L307 V308 I311 D319 | H98-Q125 HydrophobicContact CB-CB 4.36Å; H98-Q125 WeakPolarHBondContact ND1-CB 3.34Å; H98-Q125 PolarHBondContact ND1-N 3.49Å; I99-Q125 PolarHBondContact N-O 3.42Å; Q125-F304 HydrophobicContact CB-CE2 4.47Å; Q125-F304 HydrophobicContact CG-CD2 4.38Å; Q125-F304 HydrophobicContact CG-CE2 4.18Å; Q125-L307 HydrophobicContact CG-CB 4.05Å; Q125-L307 HydrophobicContact CG-CD1 4.45Å; Q125-V308 HydrophobicContact CB-CG2 4.19Å; Q125-I311 HydrophobicContact CB-CD1 3.7Å; Q125-D319 PolarHBondContact NE2-O 2.92Å | ||
| 126 | F | 98.9 | Very high | 98.3 | Very high | 1 Ų | 1 | 29.3 Ų | 29.3 | 0% | 0.004 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 142.9 | 167.5 | 178.6 | -86.4 | 0 | 0 | 0 | 110.5 | I99 L101 V105 F112 I115 D128 W322 M323 | I99-F126 HydrophobicContact CB-CD2 4.13Å; I99-F126 HydrophobicContact CG2-CD2 3.82Å; I99-F126 HydrophobicContact CG2-CE2 4.02Å; I99-F126 CarbonylContact O-C 3.58Å; I99-F126 WeakPolarHBondContact O-CA 3.42Å; L101-F126 HydrophobicContact CB-CE2 3.63Å; L101-F126 HydrophobicContact CB-CZ 3.88Å; L101-F126 HydrophobicContact CD2-CE2 3.66Å; L101-F126 HydrophobicContact CD2-CZ 4Å; L101-F126 HydrophobicContact CG-CE2 4.32Å; V105-F126 HydrophobicContact CG1-CE1 4.46Å; V105-F126 HydrophobicContact CG1-CZ 3.91Å; F112-F126 AromaticContact CE2-CE1 3.91Å; F112-F126 HydrophobicContact CE2-CE1 3.91Å; F112-F126 AromaticContact CE2-CE2 3.75Å; F112-F126 HydrophobicContact CE2-CE2 3.75Å; F112-F126 AromaticContact CE2-CZ 3.39Å; F112-F126 HydrophobicContact CE2-CZ 3.39Å; F112-F126 HydrophobicContact CZ-CD1 4.21Å; F112-F126 AromaticContact CZ-CE1 3.59Å; F112-F126 HydrophobicContact CZ-CE1 3.59Å; F112-F126 HydrophobicContact CZ-CE2 4.2Å; F112-F126 AromaticContact CZ-CZ 3.6Å; F112-F126 HydrophobicContact CZ-CZ 3.6Å; I115-F126 HydrophobicContact CG2-CD2 4.17Å; I115-F126 HydrophobicContact CG2-CE2 4.12Å; F126-D128 HydrophobicContact CE1-CB 4.23Å; F126-D128 HydrophobicContact CZ-CB 4.36Å; F126-W322 WeakPolarHBondContact O-CB 3.32Å; F126-M323 HydrophobicContact CB-CE 3.28Å; F126-M323 HydrophobicContact CD1-CB 4.16Å; F126-M323 HydrophobicContact CD1-CG 4.31Å; F126-M323 HydrophobicContact CG-CE 4.03Å |
| 127 | M | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 139.9 | 165.2 | -174.1 | 178.9 | -65.8 | 0 | 0 | 108.9 | I99 L100 L101 H134 M300 E303 F304 L307 W322 | I99-M127 PolarHBondContact O-N 2.94Å; L100-M127 CarbonylContact C-O 3.57Å; L100-M127 WeakPolarHBondContact CA-O 3.41Å; L100-M127 HydrophobicContact CD1-CB 3.96Å; L100-M127 HydrophobicContact CD1-CG 4.08Å; L100-M127 HydrophobicContact CD1-SD 4.26Å; L101-M127 PolarHBondContact N-O 3.03Å; M127-H134 PolarHBondContact SD-CE1 3.42Å; M127-M300 HydrophobicContact SD-CG 4.09Å; M127-E303 HydrophobicContact CE-CG 4.17Å; M127-F304 HydrophobicContact CB-CD2 3.72Å; M127-F304 HydrophobicContact CB-CE2 4.23Å; M127-F304 HydrophobicContact CE-CB 3.92Å; M127-F304 HydrophobicContact CE-CD2 4.22Å; M127-F304 HydrophobicContact SD-CB 3.81Å; M127-F304 HydrophobicContact SD-CD2 4.31Å; M127-F304 HydrophobicContact SD-CG 4.48Å; M127-L307 HydrophobicContact CE-CD1 3.59Å; M127-W322 HydrophobicContact CB-CB 4.45Å; M127-W322 HydrophobicContact CE-CD2 3.87Å; M127-W322 HydrophobicContact CE-CG 4Å; M127-W322 HydrophobicContact CE-CZ2 4.19Å; M127-W322 HydrophobicContact CG-CB 4.41Å; M127-W322 HydrophobicContact CG-CD2 4.14Å; M127-W322 HydrophobicContact CG-CE3 4.23Å; M127-W322 HydrophobicContact CG-CG 4.21Å |
| 128 | D | 98.6 | Very high | 98.2 | Very high | 4 Ų | 4 | 22.4 Ų | 22.4 | 2% | 0.021 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 160.3 | 171 | 77.3 | 50.6 | 0 | 0 | 0 | 111.8 | L101 V105 F126 T130 Q195 S326 | L101-D128 CarbonylContact O-C 3.56Å; L101-D128 VanDerWaalsContact O-C 3.31Å; L101-D128 WeakPolarHBondContact O-CA 3.44Å; V105-D128 HydrophobicContact CG1-CB 3.7Å; F126-D128 HydrophobicContact CE1-CB 4.23Å; F126-D128 HydrophobicContact CZ-CB 4.36Å; D128-T130 PolarHBondContact O-N 2.96Å; D128-T130 WeakPolarHBondContact OD1-CA 3.41Å; D128-T130 WeakPolarHBondContact OD1-CB 3.36Å; D128-T130 PolarHBondContact OD1-N 3.25Å; D128-T130 PolarHBondContact OD1-OG1 3.44Å; D128-Q195 PolarHBondContact OD2-NE2 3.36Å; D128-S326 WeakPolarHBondContact OD2-CB 3.29Å; D128-S326 PolarHBondContact OD2-OG 2.84Å |
| 129 | G | 97.8 | Very high | 98.2 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.01 | 15% | 0.147 | C | C | . | . | trans | -76.7 | 24.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115 | L101 Q131 | L101-G129 PolarHBondContact O-N 3.15Å; G129-Q131 WeakPolarHBondContact O-CG 3.29Å; G129-Q131 PolarHBondContact O-N 3.13Å; G129-Q131 VanDerWaalsContact O-N 3.11Å | ||
| 130 | T | 98.4 | Very high | 98.1 | Very high | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.006 | 17% | 0.166 | C | C | . | . | trans | -83.2 | 90.3 | -175.7 | -50.6 | 0 | 0 | 0 | 0 | 112.7 | D128 W132 M133 H134 W191 Y192 Q195 | D128-T130 PolarHBondContact O-N 2.96Å; D128-T130 WeakPolarHBondContact OD1-CA 3.41Å; D128-T130 WeakPolarHBondContact OD1-CB 3.36Å; D128-T130 PolarHBondContact OD1-N 3.25Å; D128-T130 PolarHBondContact OD1-OG1 3.44Å; T130-W132 PolarHBondContact O-N 3.1Å; T130-M133 HydrophobicContact CG2-CG 4.17Å; T130-M133 PolarHBondContact O-N 3.1Å; T130-H134 PolarHBondContact O-CD2 3.05Å; T130-W191 PolarHBondContact OG1-NE1 3.2Å; T130-Y192 HydrophobicContact CG2-CD1 3.89Å; T130-Y192 HydrophobicContact CG2-CE1 3.76Å; T130-Q195 PolarHBondContact OG1-NE2 2.94Å | ||
| 131 | Q | 97.9 | Very high | 98.1 | Very high | 26 Ų | 26 | 23.9 Ų | 23.9 | 12% | 0.121 | 14% | 0.135 | C | C | . | . | G | 310 helix | trans | -62 | -41.8 | -166.4 | -61.8 | 157.6 | 10 | 0 | 0 | 115.1 | G129 M133 H134 Q296 E297 M300 | G129-Q131 WeakPolarHBondContact O-CG 3.29Å; G129-Q131 PolarHBondContact O-N 3.13Å; G129-Q131 VanDerWaalsContact O-N 3.11Å; Q131-M133 PolarHBondContact O-N 3.39Å; Q131-M133 VanDerWaalsContact O-N 3.12Å; Q131-H134 PolarHBondContact O-N 2.95Å; Q131-Q296 HydrophobicContact CB-CG 4.09Å; Q131-E297 HydrophobicContact CB-CG 4.06Å; Q131-E297 HydrophobicContact CG-CB 4.36Å; Q131-E297 HydrophobicContact CG-CG 3.63Å; Q131-E297 VanDerWaalsContact OE1-CG 3.22Å; Q131-E297 PolarHBondContact OE1-OE1 3.31Å; Q131-E297 VanDerWaalsContact OE1-OE1 3.1Å; Q131-M300 HydrophobicContact CG-CE 3.98Å; Q131-M300 HydrophobicContact CG-SD 3.91Å |
| 132 | W | 97.8 | Very high | 98.1 | Very high | 1 Ų | 1 | 21.5 Ų | 21.5 | 0% | 0.004 | 12% | 0.116 | C | C | . | . | G | 310 helix | trans | -62.5 | -23.6 | -173.8 | 75.3 | -81.1 | 0 | 0 | 0 | 113.7 | T130 H134 S135 T138 Y192 Q195 A196 L199 I252 F266 | T130-W132 PolarHBondContact O-N 3.1Å; W132-H134 PolarHBondContact O-N 3.04Å; W132-H134 VanDerWaalsContact O-N 3.14Å; W132-S135 WeakPolarHBondContact O-CB 3.36Å; W132-S135 PolarHBondContact O-N 3.36Å; W132-S135 VanDerWaalsContact O-N 3.16Å; W132-T138 HydrophobicContact CE3-CG2 4.11Å; W132-T138 HydrophobicContact CZ3-CG2 3.87Å; W132-T138 WeakPolarHBondContact O-CB 3.45Å; W132-T138 PolarHBondContact O-OG1 2.7Å; W132-Y192 AromaticContact CD1-CD1 3.52Å; W132-Y192 AromaticContact CD1-CE1 3.88Å; W132-Y192 AromaticContact NE1-CD1 3.63Å; W132-Q195 HydrophobicContact CZ2-CB 3.84Å; W132-A196 HydrophobicContact CH2-CB 4.18Å; W132-A196 HydrophobicContact CZ2-CB 4.32Å; W132-L199 HydrophobicContact CH2-CB 4.29Å; W132-L199 HydrophobicContact CH2-CD1 3.92Å; W132-L199 HydrophobicContact CZ3-CD1 4.05Å; W132-I252 HydrophobicContact CH2-CD1 4.46Å; W132-I252 HydrophobicContact CZ3-CD1 4.3Å; W132-F266 VanDerWaalsContact CB-O 3.23Å; W132-F266 WeakPolarHBondContact CB-O 3.24Å; W132-F266 AromaticContact CD2-CD2 3.8Å; W132-F266 HydrophobicContact CD2-CD2 3.8Å; W132-F266 HydrophobicContact CD2-CE2 4.21Å; W132-F266 AromaticContact CE2-CD2 3.98Å; W132-F266 AromaticContact CE2-CE2 3.92Å; W132-F266 AromaticContact CE3-CD2 3.93Å; W132-F266 HydrophobicContact CE3-CD2 3.93Å; W132-F266 HydrophobicContact CG-CD2 4.28Å; W132-F266 HydrophobicContact CH2-CD2 4.4Å; W132-F266 HydrophobicContact CZ2-CD2 4.27Å; W132-F266 HydrophobicContact CZ2-CE2 4.11Å; W132-F266 HydrophobicContact CZ3-CD2 4.23Å |
| 133 | M | 97.7 | Very high | 98.1 | Very high | 8 Ų | 8 | 24.1 Ų | 24.1 | 4% | 0.039 | 13% | 0.127 | C | C | . | . | G | 310 helix | trans | -62.3 | -19.6 | 176.4 | -70.7 | -64.9 | -58.9 | 0 | 0 | 113.5 | T130 Q131 L199 F203 W322 F325 | T130-M133 HydrophobicContact CG2-CG 4.17Å; T130-M133 PolarHBondContact O-N 3.1Å; Q131-M133 PolarHBondContact O-N 3.39Å; Q131-M133 VanDerWaalsContact O-N 3.12Å; M133-L199 HydrophobicContact CE-CD1 3.66Å; M133-L199 HydrophobicContact SD-CD1 3.65Å; M133-F203 HydrophobicContact CE-CE1 4.22Å; M133-W322 HydrophobicContact CB-CZ3 4.39Å; M133-F325 HydrophobicContact CE-CD1 4.19Å; M133-F325 HydrophobicContact CE-CE1 3.41Å; M133-F325 VanDerWaalsContact CE-CE1 3.41Å; M133-F325 HydrophobicContact CE-CZ 3.87Å; M133-F325 HydrophobicContact CG-CE1 4.06Å; M133-F325 HydrophobicContact SD-CE1 3.79Å; M133-F325 HydrophobicContact SD-CZ 4.07Å |
| 134 | H | 97.9 | Very high | 98.1 | Very high | 20 Ų | 20 | 24 Ų | 24 | 9% | 0.093 | 12% | 0.117 | C | C | . | . | G | 310 helix | trans | -103 | 3.4 | -177.9 | -54.9 | -91.3 | 0 | 0 | 0 | 113.1 | M127 T130 Q131 W132 C299 M300 W322 | M127-H134 PolarHBondContact SD-CE1 3.42Å; T130-H134 PolarHBondContact O-CD2 3.05Å; Q131-H134 PolarHBondContact O-N 2.95Å; W132-H134 PolarHBondContact O-N 3.04Å; W132-H134 VanDerWaalsContact O-N 3.14Å; H134-C299 HydrophobicContact CB-CB 3.94Å; H134-C299 WeakPolarHBondContact O-CB 3.4Å; H134-M300 HydrophobicContact CB-CB 4.06Å; H134-M300 VanDerWaalsContact CD2-CB 3.47Å; H134-M300 WeakPolarHBondContact CD2-CB 3.49Å; H134-M300 VanDerWaalsContact CG-CA 3.47Å; H134-W322 AromaticContact CE1-CH2 3.13Å; H134-W322 WeakPolarHBondContact CE1-CH2 2.91Å; H134-W322 AromaticContact CE1-CZ2 3.65Å; H134-W322 AromaticContact CE1-CZ3 3.47Å; H134-W322 VanDerWaalsContact CE1-CZ3 3.47Å; H134-W322 WeakPolarHBondContact CE1-CZ3 3.45Å; H134-W322 AromaticContact ND1-CH2 3.72Å; H134-W322 AromaticContact NE2-CH2 3.75Å; H134-W322 AromaticContact NE2-CZ3 3.63Å |
| 135 | S | 96.9 | Very high | 98.1 | Very high | 3 Ų | 3 | 24.2 Ų | 24.2 | 2% | 0.021 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -70.9 | 137.6 | 175.8 | 179.7 | 0 | 0 | 0 | 0 | 110.9 | W132 R137 T138 D139 | W132-S135 WeakPolarHBondContact O-CB 3.36Å; W132-S135 PolarHBondContact O-N 3.36Å; W132-S135 VanDerWaalsContact O-N 3.16Å; S135-R137 PolarHBondContact O-N 3.22Å; S135-R137 VanDerWaalsContact O-N 3.14Å; S135-R137 PolarHBondContact OG-N 2.8Å; S135-T138 WeakPolarHBondContact O-CA 3.29Å; S135-T138 VanDerWaalsContact O-CB 3.27Å; S135-T138 WeakPolarHBondContact O-CB 3.37Å; S135-T138 PolarHBondContact O-N 3.34Å; S135-D139 PolarHBondContact O-N 3.21Å |
| 136 | P | 97.2 | Very high | 98 | Very high | 45 Ų | 45 | 27.7 Ų | 27.7 | 29% | 0.292 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -55.6 | -27.9 | 169.6 | -28.4 | 37.2 | 0 | 0 | 0 | 113.7 | T138 D139 K140 V290 T292 | P136-T138 VanDerWaalsContact C-N 3.29Å; P136-T138 PolarHBondContact O-N 2.71Å; P136-D139 PolarHBondContact O-N 3.21Å; P136-K140 PolarHBondContact O-N 2.94Å; P136-V290 HydrophobicContact CB-CG1 3.93Å; P136-T292 HydrophobicContact CB-CG2 4.37Å; P136-T292 HydrophobicContact CG-CG2 3.98Å |
| 137 | R | 98 | Very high | 97.9 | Very high | 1 Ų | 1 | 30.4 Ų | 30.4 | 0% | 0.004 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.8 | -39.2 | 171.3 | 174.2 | 177 | 63.9 | -170.1 | -0.1 | 111.5 | S135 D139 K140 I141 D265 F266 A275 V276 F277 V290 | S135-R137 PolarHBondContact O-N 3.22Å; S135-R137 VanDerWaalsContact O-N 3.14Å; S135-R137 PolarHBondContact OG-N 2.8Å; R137-D139 VanDerWaalsContact C-N 3.27Å; R137-D139 PolarHBondContact O-N 2.71Å; R137-K140 CarbonylContact O-C 3.59Å; R137-K140 PolarHBondContact O-N 2.96Å; R137-K140 VanDerWaalsContact O-N 3.11Å; R137-I141 HydrophobicContact CG-CD1 3.78Å; R137-I141 HydrophobicContact CG-CG1 4.25Å; R137-I141 WeakPolarHBondContact O-CG1 3.4Å; R137-I141 PolarHBondContact O-N 3.29Å; R137-D265 IonicContact CZ-OD1 3.57Å; R137-D265 IonicContact NH1-OD1 3.59Å; R137-D265 PolarHBondContact NH1-OD1 2.55Å; R137-D265 IonicContact NH1-OD2 2.84Å; R137-D265 PolarHBondContact NH2-O 2.82Å; R137-D265 IonicContact NH2-OD1 3.51Å; R137-F266 PolarHBondContact NH2-O 2.72Å; R137-A275 HydrophobicContact CB-CB 3.68Å; R137-A275 HydrophobicContact CG-CB 4.25Å; R137-V276 VanDerWaalsContact CD-O 3.32Å; R137-V276 WeakPolarHBondContact CD-O 3.18Å; R137-V276 PolarHBondContact NH1-O 3.44Å; R137-F277 HydrophobicContact CG-CD1 3.83Å; R137-F277 HydrophobicContact CG-CE1 4.47Å; R137-V290 HydrophobicContact CB-CB 4.42Å; R137-V290 HydrophobicContact CB-CG2 4.42Å |
| 138 | T | 98 | Very high | 97.9 | Very high | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.006 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.8 | -33.3 | -179.7 | -57.1 | 0 | 0 | 0 | 0 | 111.3 | W132 S135 P136 I141 K142 L199 | W132-T138 HydrophobicContact CE3-CG2 4.11Å; W132-T138 HydrophobicContact CZ3-CG2 3.87Å; W132-T138 WeakPolarHBondContact O-CB 3.45Å; W132-T138 PolarHBondContact O-OG1 2.7Å; S135-T138 WeakPolarHBondContact O-CA 3.29Å; S135-T138 VanDerWaalsContact O-CB 3.27Å; S135-T138 WeakPolarHBondContact O-CB 3.37Å; S135-T138 PolarHBondContact O-N 3.34Å; P136-T138 VanDerWaalsContact C-N 3.29Å; P136-T138 PolarHBondContact O-N 2.71Å; T138-I141 PolarHBondContact O-N 3.21Å; T138-K142 WeakPolarHBondContact O-CE 3.35Å; T138-K142 WeakPolarHBondContact O-CG 3.26Å; T138-K142 PolarHBondContact O-N 3.09Å; T138-L199 HydrophobicContact CG2-CD1 3.45Å; T138-L199 VanDerWaalsContact CG2-CD1 3.45Å |
| 139 | D | 97.3 | Very high | 97.8 | Very high | 85 Ų | 85 | 43.2 Ų | 43.2 | 46% | 0.455 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -63.3 | -43.1 | 170.3 | -67.1 | -31.7 | 0 | 0 | 0 | 112.1 | S135 P136 R137 K142 E143 | S135-D139 PolarHBondContact O-N 3.21Å; P136-D139 PolarHBondContact O-N 3.21Å; R137-D139 VanDerWaalsContact C-N 3.27Å; R137-D139 PolarHBondContact O-N 2.71Å; D139-K142 PolarHBondContact O-N 3.22Å; D139-K142 WeakPolarHBondContact OD1-CE 3.32Å; D139-K142 IonicContact OD1-NZ 2.7Å; D139-K142 PolarHBondContact OD1-NZ 3.35Å; D139-E143 PolarHBondContact O-N 2.91Å |
| 140 | K | 98.2 | Very high | 97.8 | Very high | 93 Ų | 93 | 45.9 Ų | 45.9 | 40% | 0.404 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -67.3 | -35.5 | 176 | -67.1 | -68.5 | 167.7 | -164.4 | 0 | 113.5 | P136 R137 E143 F144 F277 V290 | P136-K140 PolarHBondContact O-N 2.94Å; R137-K140 CarbonylContact O-C 3.59Å; R137-K140 PolarHBondContact O-N 2.96Å; R137-K140 VanDerWaalsContact O-N 3.11Å; K140-E143 WeakPolarHBondContact CD-OE2 3.39Å; K140-E143 IonicContact NZ-OE1 3.68Å; K140-E143 IonicContact NZ-OE2 3.78Å; K140-E143 PolarHBondContact NZ-OE2 3.24Å; K140-E143 PolarHBondContact O-N 3.23Å; K140-F144 PolarHBondContact O-N 3.18Å; K140-F277 HydrophobicContact CB-CE1 3.77Å; K140-F277 HydrophobicContact CB-CZ 3.79Å; K140-V290 HydrophobicContact CB-CG2 4.38Å; K140-V290 HydrophobicContact CG-CG2 4.06Å |
| 141 | I | 98.3 | Very high | 97.8 | Very high | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.4 | -49.9 | 171.2 | -73.8 | 164.9 | 0 | 0 | 0 | 110.1 | R137 T138 E143 F144 V145 L199 L261 V263 F277 | R137-I141 HydrophobicContact CG-CD1 3.78Å; R137-I141 HydrophobicContact CG-CG1 4.25Å; R137-I141 WeakPolarHBondContact O-CG1 3.4Å; R137-I141 PolarHBondContact O-N 3.29Å; T138-I141 PolarHBondContact O-N 3.21Å; I141-E143 VanDerWaalsContact C-N 3.31Å; I141-E143 PolarHBondContact O-N 2.72Å; I141-F144 PolarHBondContact O-N 2.52Å; I141-V145 HydrophobicContact CG2-CG1 4.45Å; I141-V145 WeakPolarHBondContact O-CG1 3.44Å; I141-V145 WeakPolarHBondContact O-CG2 3.44Å; I141-V145 PolarHBondContact O-N 2.91Å; I141-L199 HydrophobicContact CG2-CD2 3.93Å; I141-L261 HydrophobicContact CB-CD2 4.38Å; I141-L261 HydrophobicContact CG1-CD1 4.31Å; I141-L261 HydrophobicContact CG1-CD2 4.25Å; I141-L261 HydrophobicContact CG2-CD2 3.54Å; I141-V263 HydrophobicContact CD1-CG1 4.5Å; I141-V263 HydrophobicContact CD1-CG2 3.69Å; I141-V263 HydrophobicContact CG1-CG2 4.31Å; I141-F277 HydrophobicContact CG1-CG 4.33Å |
| 142 | K | 98.2 | Very high | 97.8 | Very high | 60 Ų | 60 | 44.8 Ų | 44.8 | 26% | 0.261 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -59.3 | -41.2 | 177.6 | -74.4 | 177.5 | -60.7 | -174.3 | 0 | 111.9 | T138 D139 N146 L199 | T138-K142 WeakPolarHBondContact O-CE 3.35Å; T138-K142 WeakPolarHBondContact O-CG 3.26Å; T138-K142 PolarHBondContact O-N 3.09Å; D139-K142 PolarHBondContact O-N 3.22Å; D139-K142 WeakPolarHBondContact OD1-CE 3.32Å; D139-K142 IonicContact OD1-NZ 2.7Å; D139-K142 PolarHBondContact OD1-NZ 3.35Å; K142-N146 VanDerWaalsContact O-CB 3.31Å; K142-N146 WeakPolarHBondContact O-CB 3.29Å; K142-N146 PolarHBondContact O-N 3.02Å; K142-N146 PolarHBondContact O-ND2 3.22Å; K142-L199 HydrophobicContact CD-CD1 4.05Å; K142-L199 HydrophobicContact CD-CG 4.39Å; K142-L199 HydrophobicContact CG-CD1 3.96Å; K142-L199 HydrophobicContact CG-CD2 3.91Å; K142-L199 HydrophobicContact CG-CG 3.95Å |
| 143 | E | 98.1 | Very high | 97.7 | Very high | 120 Ų | 120 | 51 Ų | 51 | 56% | 0.561 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -58.5 | -51.6 | 175.2 | -174.9 | -177.8 | 163.2 | 0 | 0 | 110.7 | D139 K140 I141 N146 D147 | D139-E143 PolarHBondContact O-N 2.91Å; K140-E143 WeakPolarHBondContact CD-OE2 3.39Å; K140-E143 IonicContact NZ-OE1 3.68Å; K140-E143 IonicContact NZ-OE2 3.78Å; K140-E143 PolarHBondContact NZ-OE2 3.24Å; K140-E143 PolarHBondContact O-N 3.23Å; I141-E143 VanDerWaalsContact C-N 3.31Å; I141-E143 PolarHBondContact O-N 2.72Å; E143-N146 PolarHBondContact O-N 3.4Å; E143-D147 PolarHBondContact O-N 3.45Å |
| 144 | F | 98.2 | Very high | 97.8 | Very high | 27 Ų | 27 | 51.6 Ų | 51.6 | 12% | 0.118 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.1 | -48.4 | -178.3 | 178.3 | -105.4 | 0 | 0 | 0 | 113.2 | K140 I141 N146 D147 F151 L261 T279 | K140-F144 PolarHBondContact O-N 3.18Å; I141-F144 PolarHBondContact O-N 2.52Å; F144-N146 PolarHBondContact O-N 2.85Å; F144-D147 WeakPolarHBondContact O-CB 3.1Å; F144-D147 PolarHBondContact O-N 3.32Å; F144-D147 VanDerWaalsContact O-N 3.09Å; F144-F151 HydrophobicContact CD1-CD2 4.1Å; F144-F151 HydrophobicContact CE1-CB 4.22Å; F144-F151 AromaticContact CE1-CD2 3.47Å; F144-F151 HydrophobicContact CE1-CD2 3.47Å; F144-F151 VanDerWaalsContact CE1-CD2 3.47Å; F144-F151 HydrophobicContact CE1-CE2 4.21Å; F144-F151 HydrophobicContact CE1-CG 4.23Å; F144-F151 HydrophobicContact CZ-CB 4.24Å; F144-F151 HydrophobicContact CZ-CD2 4.01Å; F144-F151 WeakPolarHBondContact O-CB 3.37Å; F144-L261 HydrophobicContact CD1-CB 4.09Å; F144-L261 HydrophobicContact CD1-CD1 4.35Å; F144-L261 HydrophobicContact CE1-CB 3.95Å; F144-T279 HydrophobicContact CD1-CG2 3.75Å; F144-T279 HydrophobicContact CD2-CG2 3.79Å; F144-T279 HydrophobicContact CE1-CG2 3.62Å; F144-T279 HydrophobicContact CE2-CG2 3.67Å; F144-T279 HydrophobicContact CG-CG2 3.83Å; F144-T279 HydrophobicContact CZ-CG2 3.58Å |
| 145 | V | 98.1 | Very high | 97.8 | Very high | 9 Ų | 9 | 55.1 Ų | 55.1 | 6% | 0.055 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -69.4 | -16.4 | -177.1 | -58.3 | 0 | 0 | 0 | 0 | 113.2 | I141 F151 V200 L261 | I141-V145 HydrophobicContact CG2-CG1 4.45Å; I141-V145 WeakPolarHBondContact O-CG1 3.44Å; I141-V145 WeakPolarHBondContact O-CG2 3.44Å; I141-V145 PolarHBondContact O-N 2.91Å; V145-F151 HydrophobicContact CB-CD1 4.28Å; V145-F151 HydrophobicContact CB-CE1 4.22Å; V145-F151 HydrophobicContact CG1-CE2 4.48Å; V145-F151 HydrophobicContact CG1-CZ 4.37Å; V145-F151 VanDerWaalsContact O-CD1 3.28Å; V145-F151 WeakPolarHBondContact O-CD1 3.41Å; V145-V200 HydrophobicContact CG1-CG1 4.34Å; V145-L261 HydrophobicContact CG1-CD2 3.71Å |
| 146 | N | 97.8 | Very high | 97.9 | Very high | 75 Ų | 75 | 56.5 Ų | 56.5 | 40% | 0.401 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | -6.2 | 174.2 | -79.1 | -58.4 | 0 | 0 | 0 | 114.1 | K142 E143 F144 L148 N202 | K142-N146 VanDerWaalsContact O-CB 3.31Å; K142-N146 WeakPolarHBondContact O-CB 3.29Å; K142-N146 PolarHBondContact O-N 3.02Å; K142-N146 PolarHBondContact O-ND2 3.22Å; E143-N146 PolarHBondContact O-N 3.4Å; F144-N146 PolarHBondContact O-N 2.85Å; N146-L148 PolarHBondContact O-N 2.94Å; N146-N202 PolarHBondContact ND2-OD1 3.37Å; N146-N202 VanDerWaalsContact ND2-OD1 3.12Å; N146-N202 PolarHBondContact OD1-ND2 3.42Å; N146-N202 PolarHBondContact OD1-OD1 3.49Å |
| 147 | D | 97.8 | Very high | 98 | Very high | 57 Ų | 57 | 54.4 Ų | 54.4 | 31% | 0.305 | 27% | 0.272 | S | S | . | . | trans | -81.6 | 108.4 | 177.3 | -178.4 | 1.9 | 0 | 0 | 0 | 111.3 | E143 F144 E149 S150 F151 G152 | E143-D147 PolarHBondContact O-N 3.45Å; F144-D147 WeakPolarHBondContact O-CB 3.1Å; F144-D147 PolarHBondContact O-N 3.32Å; F144-D147 VanDerWaalsContact O-N 3.09Å; D147-E149 PolarHBondContact O-N 2.76Å; D147-E149 WeakPolarHBondContact OD1-CA 3.36Å; D147-E149 WeakPolarHBondContact OD1-CB 3.47Å; D147-E149 PolarHBondContact OD1-N 2.99Å; D147-S150 PolarHBondContact OD1-N 2.86Å; D147-S150 WeakPolarHBondContact OD2-CB 3.46Å; D147-S150 PolarHBondContact OD2-N 3.14Å; D147-S150 PolarHBondContact OD2-OG 3.06Å; D147-F151 WeakPolarHBondContact O-CA 3.01Å; D147-F151 WeakPolarHBondContact O-CB 3.49Å; D147-F151 PolarHBondContact O-N 2.84Å; D147-G152 PolarHBondContact O-N 3.12Å | ||
| 148 | L | 97.2 | Very high | 98 | Very high | 114 Ų | 114 | 58.7 Ų | 58.7 | 60% | 0.597 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -17.7 | 178.2 | -63.9 | -179.7 | 0 | 0 | 0 | 113.8 | N146 G152 K258 | N146-L148 PolarHBondContact O-N 2.94Å; L148-G152 WeakPolarHBondContact O-CA 3.32Å; L148-K258 WeakPolarHBondContact O-CD 3.26Å; L148-K258 WeakPolarHBondContact O-CE 3.38Å; L148-K258 PolarHBondContact O-NZ 3.38Å |
| 149 | E | 97.3 | Very high | 98 | Very high | 159 Ų | 159 | 58.7 Ų | 58.7 | 74% | 0.743 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -50.2 | 176.1 | -63.4 | -168.9 | 172.4 | 0 | 0 | 111 | D147 K258 | D147-E149 PolarHBondContact O-N 2.76Å; D147-E149 WeakPolarHBondContact OD1-CA 3.36Å; D147-E149 WeakPolarHBondContact OD1-CB 3.47Å; D147-E149 PolarHBondContact OD1-N 2.99Å; E149-K258 WeakPolarHBondContact O-CD 3.47Å |
| 150 | S | 97.2 | Very high | 98.1 | Very high | 57 Ų | 57 | 54.9 Ų | 54.9 | 40% | 0.399 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -46.6 | -176 | -55.5 | 0 | 0 | 0 | 0 | 113.7 | D147 G259 | D147-S150 PolarHBondContact OD1-N 2.86Å; D147-S150 WeakPolarHBondContact OD2-CB 3.46Å; D147-S150 PolarHBondContact OD2-N 3.14Å; D147-S150 PolarHBondContact OD2-OG 3.06Å; S150-G259 PolarHBondContact O-N 3.3Å |
| 151 | F | 98.1 | Very high | 98.2 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | -39.9 | -177.2 | -175.4 | -108.7 | 0 | 0 | 0 | 112 | F144 V145 D147 I154 A254 G256 T257 K258 G259 | F144-F151 HydrophobicContact CD1-CD2 4.1Å; F144-F151 HydrophobicContact CE1-CB 4.22Å; F144-F151 AromaticContact CE1-CD2 3.47Å; F144-F151 HydrophobicContact CE1-CD2 3.47Å; F144-F151 VanDerWaalsContact CE1-CD2 3.47Å; F144-F151 HydrophobicContact CE1-CE2 4.21Å; F144-F151 HydrophobicContact CE1-CG 4.23Å; F144-F151 HydrophobicContact CZ-CB 4.24Å; F144-F151 HydrophobicContact CZ-CD2 4.01Å; F144-F151 WeakPolarHBondContact O-CB 3.37Å; V145-F151 HydrophobicContact CB-CD1 4.28Å; V145-F151 HydrophobicContact CB-CE1 4.22Å; V145-F151 HydrophobicContact CG1-CE2 4.48Å; V145-F151 HydrophobicContact CG1-CZ 4.37Å; V145-F151 VanDerWaalsContact O-CD1 3.28Å; V145-F151 WeakPolarHBondContact O-CD1 3.41Å; D147-F151 WeakPolarHBondContact O-CA 3.01Å; D147-F151 WeakPolarHBondContact O-CB 3.49Å; D147-F151 PolarHBondContact O-N 2.84Å; F151-I154 HydrophobicContact CE1-CB 4.05Å; F151-I154 HydrophobicContact CE1-CD1 3.72Å; F151-I154 HydrophobicContact CE1-CG1 4.49Å; F151-I154 HydrophobicContact CZ-CD1 3.56Å; F151-A254 HydrophobicContact CE2-CB 4.23Å; F151-A254 HydrophobicContact CZ-CB 3.95Å; F151-G256 CarbonylContact O-C 3.25Å; F151-G256 WeakPolarHBondContact O-CA 3.39Å; F151-T257 PolarHBondContact O-N 2.82Å; F151-K258 PolarHBondContact O-N 3.42Å; F151-G259 PolarHBondContact O-N 3.32Å |
| 152 | G | 97.8 | Very high | 98.2 | Very high | 4 Ų | 4 | 51.4 Ų | 51.4 | 4% | 0.041 | 25% | 0.254 | C | S | . | . | trans | 80.1 | -151.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | D147 L148 | D147-G152 PolarHBondContact O-N 3.12Å; L148-G152 WeakPolarHBondContact O-CA 3.32Å | ||
| 153 | Q | 97.6 | Very high | 98.2 | Very high | 132 Ų | 132 | 50.6 Ų | 50.6 | 62% | 0.617 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -86.7 | 129.1 | -179.1 | -155.6 | 127.4 | 19.4 | 0 | 0 | 109.8 | G256 T257 | Q153-G256 CarbonylContact O-C 2.95Å; Q153-G256 WeakPolarHBondContact O-CA 3.47Å; Q153-T257 HydrophobicContact CB-CG2 4.09Å; Q153-T257 PolarHBondContact N-OG1 3.47Å; Q153-T257 PolarHBondContact O-N 2.61Å |
| 154 | I | 98.4 | Very high | 98.2 | Very high | 20 Ų | 20 | 48.1 Ų | 48.1 | 10% | 0.103 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.4 | 143.3 | 176.9 | -175.2 | 64.9 | 0 | 0 | 0 | 111.3 | F151 V157 V200 N201 V236 A254 | F151-I154 HydrophobicContact CE1-CB 4.05Å; F151-I154 HydrophobicContact CE1-CD1 3.72Å; F151-I154 HydrophobicContact CE1-CG1 4.49Å; F151-I154 HydrophobicContact CZ-CD1 3.56Å; I154-V157 HydrophobicContact CD1-CG2 3.78Å; I154-V157 HydrophobicContact CG1-CG2 4.19Å; I154-V200 HydrophobicContact CD1-CG1 3.75Å; I154-V200 HydrophobicContact CG1-CG1 4.41Å; I154-N201 WeakPolarHBondContact CG2-OD1 3.42Å; I154-V236 HydrophobicContact CG1-CG1 4.07Å; I154-V236 HydrophobicContact CG2-CG1 4.11Å; I154-V236 HydrophobicContact CG2-CG2 3.8Å; I154-V236 WeakPolarHBondContact O-CG2 3.44Å; I154-A254 HydrophobicContact CD1-CB 4.25Å |
| 155 | K | 98.5 | Very high | 98.2 | Very high | 94 Ų | 94 | 47.8 Ų | 47.8 | 41% | 0.409 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | -46.9 | 177 | -68.2 | -61.4 | 179.8 | -171.8 | 0 | 113.1 | V236 N237 I255 T257 | K155-V236 WeakPolarHBondContact O-CA 3.43Å; K155-N237 PolarHBondContact O-N 2.87Å; K155-I255 WeakPolarHBondContact CB-O 3.45Å; K155-I255 PolarHBondContact N-O 3.38Å; K155-T257 HydrophobicContact CD-CG2 4.36Å; K155-T257 VanDerWaalsContact CE-CG2 3.43Å; K155-T257 HydrophobicContact CG-CG2 4.09Å |
| 156 | S | 98.7 | Very high | 98.2 | Very high | 33 Ų | 33 | 50.6 Ų | 50.6 | 23% | 0.231 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 144.3 | -179.5 | -166.1 | 0 | 0 | 0 | 0 | 111.5 | N237 I255 | S156-N237 VanDerWaalsContact CA-O 3.28Å; S156-N237 WeakPolarHBondContact CA-O 3.22Å; S156-N237 PolarHBondContact OG-OD1 2.88Å; S156-I255 PolarHBondContact N-O 2.78Å; S156-I255 PolarHBondContact O-N 2.83Å |
| 157 | V | 98.8 | Very high | 98.2 | Very high | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.006 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 132.7 | 171.1 | -165.6 | 0 | 0 | 0 | 0 | 109.1 | I154 I197 V200 N237 A238 T239 I252 T253 A254 | I154-V157 HydrophobicContact CD1-CG2 3.78Å; I154-V157 HydrophobicContact CG1-CG2 4.19Å; V157-I197 HydrophobicContact CB-CG2 4.11Å; V157-I197 HydrophobicContact CG1-CB 4.44Å; V157-I197 HydrophobicContact CG1-CG2 3.86Å; V157-V200 HydrophobicContact CG1-CB 4.34Å; V157-V200 HydrophobicContact CG1-CG1 4.33Å; V157-V200 HydrophobicContact CG1-CG2 4.45Å; V157-V200 HydrophobicContact CG2-CB 4.05Å; V157-V200 HydrophobicContact CG2-CG1 3.5Å; V157-N237 PolarHBondContact N-O 2.83Å; V157-N237 VanDerWaalsContact N-O 3.09Å; V157-A238 HydrophobicContact CB-CB 3.97Å; V157-A238 CarbonylContact O-C 3.54Å; V157-A238 WeakPolarHBondContact O-CA 3.38Å; V157-A238 WeakPolarHBondContact O-CB 3.31Å; V157-T239 PolarHBondContact O-N 3.05Å; V157-I252 HydrophobicContact CG1-CG2 4.49Å; V157-T253 CarbonylContact C-O 3.59Å; V157-T253 WeakPolarHBondContact CA-O 3.5Å; V157-A254 HydrophobicContact CG1-CB 4.44Å; V157-A254 HydrophobicContact CG2-CB 4.46Å |
| 158 | Y | 98.9 | Very high | 98.2 | Very high | 91 Ų | 91 | 54.9 Ų | 54.9 | 36% | 0.357 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 133.6 | 165.7 | 171.7 | -103.8 | 0 | 0 | 0 | 108.5 | C160 T239 T253 | Y158-C160 HydrophobicContact CE1-CB 4.16Å; Y158-C160 WeakPolarHBondContact OH-CB 3.41Å; Y158-C160 PolarHBondContact OH-SG 3.31Å; Y158-T239 WeakPolarHBondContact CA-O 3.38Å; Y158-T239 WeakPolarHBondContact CD2-OG1 3.48Å; Y158-T253 PolarHBondContact N-O 3.25Å; Y158-T253 PolarHBondContact O-N 2.99Å |
| 159 | S | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 137.4 | 170.5 | -175.9 | 0 | 0 | 0 | 0 | 111.5 | T193 T239 I240 Y241 E251 | S159-T193 WeakPolarHBondContact OG-CA 3.28Å; S159-T193 WeakPolarHBondContact OG-CB 3.03Å; S159-T239 PolarHBondContact N-O 3.31Å; S159-I240 CarbonylContact O-C 3.48Å; S159-I240 WeakPolarHBondContact O-CA 3.48Å; S159-Y241 PolarHBondContact O-N 3.43Å; S159-Y241 VanDerWaalsContact O-N 3.07Å; S159-E251 WeakPolarHBondContact CA-O 3.31Å; S159-E251 WeakPolarHBondContact CB-O 3.42Å; S159-E251 PolarHBondContact OG-O 3.11Å |
| 160 | C | 98.9 | Very high | 98.3 | Very high | 6 Ų | 6 | 45.6 Ų | 45.6 | 4% | 0.041 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 149.1 | 172.9 | 71.6 | 0 | 0 | 0 | 0 | 113.2 | Y158 T193 Y241 M250 E251 | Y158-C160 HydrophobicContact CE1-CB 4.16Å; Y158-C160 WeakPolarHBondContact OH-CB 3.41Å; Y158-C160 PolarHBondContact OH-SG 3.31Å; C160-T193 VanDerWaalsContact C-CG2 3.46Å; C160-Y241 CarbonylContact C-O 3.6Å; C160-Y241 WeakPolarHBondContact CA-O 3.28Å; C160-Y241 HydrophobicContact CB-CD1 4.23Å; C160-Y241 WeakPolarHBondContact CB-O 3.24Å; C160-M250 CarbonylContact O-C 3.49Å; C160-M250 WeakPolarHBondContact O-CA 3.28Å; C160-E251 PolarHBondContact N-O 3.14Å; C160-E251 VanDerWaalsContact N-O 3.08Å; C160-E251 PolarHBondContact O-N 3.47Å |
| 161 | F | 98.9 | Very high | 98.2 | Very high | 15 Ų | 15 | 48.8 Ų | 48.8 | 7% | 0.066 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 113.5 | 168.2 | 180 | -158.9 | 0 | 0 | 0 | 110.4 | F163 A189 Y192 T193 Y241 C242 S243 L248 T249 M250 V267 | F161-F163 HydrophobicContact CE2-CD1 4.26Å; F161-F163 HydrophobicContact CZ-CD1 4.27Å; F161-A189 HydrophobicContact CB-CB 4.15Å; F161-A189 VanDerWaalsContact CD1-CA 3.49Å; F161-A189 HydrophobicContact CD1-CB 3.49Å; F161-A189 VanDerWaalsContact CD1-CB 3.49Å; F161-A189 HydrophobicContact CE1-CB 3.96Å; F161-A189 HydrophobicContact CG-CB 3.88Å; F161-A189 WeakPolarHBondContact O-CB 3.25Å; F161-Y192 AromaticContact CD1-CD2 3.59Å; F161-Y192 HydrophobicContact CD1-CD2 3.59Å; F161-Y192 HydrophobicContact CD1-CE2 4.23Å; F161-Y192 HydrophobicContact CD1-CG 4.26Å; F161-Y192 AromaticContact CE1-CD2 3.7Å; F161-Y192 HydrophobicContact CE1-CD2 3.7Å; F161-Y192 AromaticContact CE1-CE2 3.85Å; F161-Y192 HydrophobicContact CE1-CE2 3.85Å; F161-T193 HydrophobicContact CB-CG2 3.88Å; F161-Y241 PolarHBondContact N-O 3.29Å; F161-C242 WeakPolarHBondContact O-CA 3.42Å; F161-S243 PolarHBondContact O-N 3.01Å; F161-L248 HydrophobicContact CE2-CD1 4.02Å; F161-T249 CarbonylContact C-O 3.59Å; F161-T249 VanDerWaalsContact CA-O 3.23Å; F161-T249 WeakPolarHBondContact CA-O 3.38Å; F161-T249 WeakPolarHBondContact CD2-O 3.31Å; F161-M250 HydrophobicContact CD2-CG 3.58Å; F161-M250 HydrophobicContact CD2-SD 4.45Å; F161-M250 HydrophobicContact CE2-CG 3.81Å; F161-M250 HydrophobicContact CE2-SD 4.13Å; F161-M250 HydrophobicContact CG-CG 4.41Å; F161-V267 HydrophobicContact CD1-CG2 4.13Å; F161-V267 HydrophobicContact CE1-CG1 4.3Å; F161-V267 HydrophobicContact CG-CG2 4.36Å |
| 162 | S | 98.9 | Very high | 98.1 | Very high | 5 Ų | 5 | 54.8 Ų | 54.8 | 4% | 0.035 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 158.5 | 173 | 56.8 | 0 | 0 | 0 | 0 | 112.4 | S243 N247 L248 T249 | S162-S243 CarbonylContact C-O 3.57Å; S162-S243 WeakPolarHBondContact CA-O 3.28Å; S162-S243 WeakPolarHBondContact CB-O 3.46Å; S162-N247 PolarHBondContact OG-O 3.04Å; S162-L248 VanDerWaalsContact O-CA 3.23Å; S162-L248 WeakPolarHBondContact O-CA 3.38Å; S162-T249 PolarHBondContact N-O 3.4Å; S162-T249 PolarHBondContact O-N 3.42Å |
| 163 | F | 98.7 | Very high | 98.1 | Very high | 43 Ų | 43 | 56.5 Ų | 56.5 | 19% | 0.189 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 149 | 163.7 | 63.7 | -93 | 0 | 0 | 0 | 110.3 | F161 A165 F169 S243 F244 L245 A246 L248 | F161-F163 HydrophobicContact CE2-CD1 4.26Å; F161-F163 HydrophobicContact CZ-CD1 4.27Å; F163-A165 HydrophobicContact CD2-CB 4.33Å; F163-A165 HydrophobicContact CE2-CB 3.96Å; F163-A165 PolarHBondContact O-N 3.38Å; F163-F169 HydrophobicContact CE2-CE1 4.31Å; F163-F169 HydrophobicContact CE2-CE2 4.18Å; F163-F169 AromaticContact CE2-CZ 3.97Å; F163-F169 HydrophobicContact CE2-CZ 3.97Å; F163-F169 HydrophobicContact CZ-CE1 4.38Å; F163-F169 HydrophobicContact CZ-CE2 4.2Å; F163-F169 AromaticContact CZ-CZ 3.78Å; F163-F169 HydrophobicContact CZ-CZ 3.78Å; F163-S243 PolarHBondContact N-O 3.24Å; F163-F244 HydrophobicContact CD1-CD1 4.26Å; F163-F244 AromaticContact CE1-CD1 3.42Å; F163-F244 HydrophobicContact CE1-CD1 3.42Å; F163-F244 VanDerWaalsContact CE1-CD1 3.42Å; F163-F244 AromaticContact CE1-CE1 3.48Å; F163-F244 HydrophobicContact CE1-CE1 3.48Å; F163-F244 VanDerWaalsContact CE1-CE1 3.48Å; F163-F244 AromaticContact CE2-CD1 3.91Å; F163-F244 HydrophobicContact CE2-CD1 3.91Å; F163-F244 HydrophobicContact CE2-CE1 4.43Å; F163-F244 AromaticContact CZ-CD1 3.2Å; F163-F244 HydrophobicContact CZ-CD1 3.2Å; F163-F244 AromaticContact CZ-CE1 3.36Å; F163-F244 HydrophobicContact CZ-CE1 3.36Å; F163-F244 HydrophobicContact CZ-CG 4.16Å; F163-F244 HydrophobicContact CZ-CZ 4.4Å; F163-F244 CarbonylContact O-C 3.52Å; F163-F244 WeakPolarHBondContact O-CA 3.45Å; F163-L245 PolarHBondContact O-N 2.95Å; F163-A246 CarbonylContact C-O 3.55Å; F163-A246 WeakPolarHBondContact CA-O 3.45Å; F163-A246 PolarHBondContact N-O 3.43Å; F163-L248 HydrophobicContact CB-CD1 4.14Å |
| 164 | A | 98.5 | Very high | 98 | Very high | 69 Ų | 69 | 52.8 Ų | 52.8 | 57% | 0.57 | 28% | 0.278 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 95.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | A246 | A164-A246 PolarHBondContact N-O 2.83Å |
| 165 | A | 98.2 | Very high | 98 | Very high | 20 Ų | 20 | 53.6 Ų | 53.6 | 17% | 0.165 | 28% | 0.279 | C | S | . | . | trans | -65.5 | 144.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | F163 F169 L170 F244 | F163-A165 HydrophobicContact CD2-CB 4.33Å; F163-A165 HydrophobicContact CE2-CB 3.96Å; F163-A165 PolarHBondContact O-N 3.38Å; A165-F169 HydrophobicContact CB-CB 4.12Å; A165-F169 HydrophobicContact CB-CD1 3.36Å; A165-F169 HydrophobicContact CB-CE1 3.9Å; A165-F169 HydrophobicContact CB-CG 3.85Å; A165-L170 HydrophobicContact CB-CD2 3.96Å; A165-L170 HydrophobicContact CB-CG 3.94Å; A165-F244 HydrophobicContact CB-CB 4.08Å; A165-F244 VanDerWaalsContact CB-O 3.23Å; A165-F244 WeakPolarHBondContact CB-O 3.09Å; A165-F244 PolarHBondContact N-O 3.29Å | ||
| 166 | S | 98.3 | Very high | 97.9 | Very high | 67 Ų | 67 | 49.3 Ų | 49.3 | 47% | 0.469 | 26% | 0.261 | S | S | . | . | trans | -73.1 | 161.3 | 172.6 | 66.2 | 0 | 0 | 0 | 0 | 111.4 | D168 F169 L170 | S166-D168 PolarHBondContact O-N 2.98Å; S166-F169 WeakPolarHBondContact O-CB 3.21Å; S166-F169 PolarHBondContact O-N 3.21Å; S166-F169 VanDerWaalsContact O-N 3.11Å; S166-F169 PolarHBondContact OG-N 3.37Å; S166-L170 WeakPolarHBondContact O-CG 3.33Å; S166-L170 PolarHBondContact O-N 2.7Å | ||
| 167 | D | 97.8 | Very high | 97.8 | Very high | 119 Ų | 119 | 51.3 Ų | 51.3 | 64% | 0.636 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -56.1 | -34.7 | 172.3 | -72.5 | -5.5 | 0 | 0 | 0 | 112.7 | K171 | D167-K171 WeakPolarHBondContact O-CB 3.43Å; D167-K171 WeakPolarHBondContact O-CD 3.17Å; D167-K171 VanDerWaalsContact O-CG 3.26Å; D167-K171 WeakPolarHBondContact O-CG 3.48Å; D167-K171 PolarHBondContact O-N 2.97Å |
| 168 | D | 98 | Very high | 97.5 | Very high | 104 Ų | 104 | 54.9 Ų | 54.9 | 56% | 0.556 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -65.9 | -46.1 | 176.9 | -176.7 | 61.8 | 0 | 0 | 0 | 111.3 | S166 L170 K171 H172 | S166-D168 PolarHBondContact O-N 2.98Å; D168-L170 PolarHBondContact O-N 3.46Å; D168-K171 PolarHBondContact O-N 3.39Å; D168-H172 WeakPolarHBondContact O-CB 3.32Å; D168-H172 PolarHBondContact O-N 2.99Å; D168-H172 PolarHBondContact O-ND1 3.11Å; D168-H172 IonicContact OD1-CE1 3.87Å; D168-H172 PolarHBondContact OD1-CE1 3.26Å; D168-H172 IonicContact OD1-CG 2.89Å; D168-H172 IonicContact OD1-ND1 3.11Å; D168-H172 PolarHBondContact OD1-ND1 3.34Å |
| 169 | F | 97.9 | Very high | 97.1 | Very high | 29 Ų | 29 | 52.9 Ų | 52.9 | 13% | 0.127 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -58.1 | -49.7 | 174.3 | 176.9 | -76.9 | 0 | 0 | 0 | 111 | F163 A165 S166 K171 H172 D173 R175 V176 F244 | F163-F169 HydrophobicContact CE2-CE1 4.31Å; F163-F169 HydrophobicContact CE2-CE2 4.18Å; F163-F169 AromaticContact CE2-CZ 3.97Å; F163-F169 HydrophobicContact CE2-CZ 3.97Å; F163-F169 HydrophobicContact CZ-CE1 4.38Å; F163-F169 HydrophobicContact CZ-CE2 4.2Å; F163-F169 AromaticContact CZ-CZ 3.78Å; F163-F169 HydrophobicContact CZ-CZ 3.78Å; A165-F169 HydrophobicContact CB-CB 4.12Å; A165-F169 HydrophobicContact CB-CD1 3.36Å; A165-F169 HydrophobicContact CB-CE1 3.9Å; A165-F169 HydrophobicContact CB-CG 3.85Å; S166-F169 WeakPolarHBondContact O-CB 3.21Å; S166-F169 PolarHBondContact O-N 3.21Å; S166-F169 VanDerWaalsContact O-N 3.11Å; S166-F169 PolarHBondContact OG-N 3.37Å; F169-K171 PolarHBondContact O-N 2.89Å; F169-K171 VanDerWaalsContact O-N 3.09Å; F169-H172 PolarHBondContact O-N 3Å; F169-D173 HydrophobicContact CB-CB 4.48Å; F169-D173 HydrophobicContact CD1-CB 4.12Å; F169-D173 HydrophobicContact CD2-CB 3.54Å; F169-D173 HydrophobicContact CE1-CB 4.24Å; F169-D173 HydrophobicContact CE2-CB 3.68Å; F169-D173 WeakPolarHBondContact CE2-OD2 3.45Å; F169-D173 HydrophobicContact CG-CB 3.79Å; F169-D173 HydrophobicContact CZ-CB 4.04Å; F169-D173 VanDerWaalsContact O-CB 3.31Å; F169-D173 WeakPolarHBondContact O-CB 3.43Å; F169-D173 PolarHBondContact O-N 3.01Å; F169-R175 HydrophobicContact CZ-CB 4.21Å; F169-V176 HydrophobicContact CE1-CG1 4.32Å; F169-F244 HydrophobicContact CE1-CD1 4.47Å; F169-F244 AromaticContact CE1-CD2 3.85Å; F169-F244 HydrophobicContact CE1-CD2 3.85Å; F169-F244 HydrophobicContact CE1-CE2 4.05Å; F169-F244 HydrophobicContact CE1-CG 4.07Å; F169-F244 HydrophobicContact CE1-CZ 4.44Å; F169-F244 HydrophobicContact CZ-CD2 4.44Å; F169-F244 HydrophobicContact CZ-CE1 4.39Å; F169-F244 HydrophobicContact CZ-CE2 4.28Å; F169-F244 HydrophobicContact CZ-CZ 4.24Å |
| 170 | L | 97.7 | Very high | 96.9 | Very high | 49 Ų | 49 | 55.9 Ų | 55.9 | 26% | 0.257 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -64.5 | -17.1 | -177 | -69 | 173.6 | 0 | 0 | 0 | 113.2 | A165 S166 D168 L224 F244 L245 | A165-L170 HydrophobicContact CB-CD2 3.96Å; A165-L170 HydrophobicContact CB-CG 3.94Å; S166-L170 WeakPolarHBondContact O-CG 3.33Å; S166-L170 PolarHBondContact O-N 2.7Å; D168-L170 PolarHBondContact O-N 3.46Å; L170-L224 HydrophobicContact CD2-CD1 4.49Å; L170-L224 HydrophobicContact CD2-CD2 4.34Å; L170-F244 HydrophobicContact CD2-CB 4.29Å; L170-L245 HydrophobicContact CD1-CD2 3.94Å; L170-L245 HydrophobicContact CD2-CD2 4.04Å |
| 171 | K | 95.8 | Very high | 96.7 | Very high | 123 Ų | 123 | 56 Ų | 56 | 54% | 0.535 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -98.7 | -33.9 | 176.2 | -71.9 | 171.8 | -173.6 | 170.5 | 0 | 113.4 | D167 D168 F169 K177 | D167-K171 WeakPolarHBondContact O-CB 3.43Å; D167-K171 WeakPolarHBondContact O-CD 3.17Å; D167-K171 VanDerWaalsContact O-CG 3.26Å; D167-K171 WeakPolarHBondContact O-CG 3.48Å; D167-K171 PolarHBondContact O-N 2.97Å; D168-K171 PolarHBondContact O-N 3.39Å; F169-K171 PolarHBondContact O-N 2.89Å; F169-K171 VanDerWaalsContact O-N 3.09Å; K171-K177 WeakPolarHBondContact O-CE 3.43Å; K171-K177 PolarHBondContact O-NZ 3.45Å |
| 172 | H | 96.2 | Very high | 96.3 | Very high | 126 Ų | 126 | 55.9 Ų | 55.9 | 58% | 0.583 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -124.5 | -21.7 | -163.5 | -54.8 | 124.4 | 0 | 0 | 0 | 115.2 | D168 F169 | D168-H172 WeakPolarHBondContact O-CB 3.32Å; D168-H172 PolarHBondContact O-N 2.99Å; D168-H172 PolarHBondContact O-ND1 3.11Å; D168-H172 IonicContact OD1-CE1 3.87Å; D168-H172 PolarHBondContact OD1-CE1 3.26Å; D168-H172 IonicContact OD1-CG 2.89Å; D168-H172 IonicContact OD1-ND1 3.11Å; D168-H172 PolarHBondContact OD1-ND1 3.34Å; F169-H172 PolarHBondContact O-N 3Å |
| 173 | D | 97.2 | Very high | 96.3 | Very high | 41 Ų | 41 | 56.2 Ų | 56.2 | 22% | 0.219 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -64.8 | 148.3 | -176 | -164.9 | -85.9 | 0 | 0 | 0 | 111.8 | F169 R175 V176 K177 | F169-D173 HydrophobicContact CB-CB 4.48Å; F169-D173 HydrophobicContact CD1-CB 4.12Å; F169-D173 HydrophobicContact CD2-CB 3.54Å; F169-D173 HydrophobicContact CE1-CB 4.24Å; F169-D173 HydrophobicContact CE2-CB 3.68Å; F169-D173 WeakPolarHBondContact CE2-OD2 3.45Å; F169-D173 HydrophobicContact CG-CB 3.79Å; F169-D173 HydrophobicContact CZ-CB 4.04Å; F169-D173 VanDerWaalsContact O-CB 3.31Å; F169-D173 WeakPolarHBondContact O-CB 3.43Å; F169-D173 PolarHBondContact O-N 3.01Å; D173-R175 PolarHBondContact O-N 3.47Å; D173-R175 VanDerWaalsContact O-N 3.12Å; D173-R175 WeakPolarHBondContact OD1-CB 3.31Å; D173-R175 WeakPolarHBondContact OD1-CG 3.42Å; D173-R175 IonicContact OD1-CZ 3.9Å; D173-R175 PolarHBondContact OD1-N 3.31Å; D173-R175 IonicContact OD1-NH1 2.78Å; D173-R175 PolarHBondContact OD1-NH1 3.43Å; D173-R175 IonicContact OD2-NH1 2.72Å; D173-R175 PolarHBondContact OD2-NH1 3Å; D173-V176 WeakPolarHBondContact O-CG2 3.4Å; D173-V176 PolarHBondContact O-N 3.29Å; D173-V176 VanDerWaalsContact O-N 3.11Å; D173-K177 WeakPolarHBondContact O-CG 3.4Å |
| 174 | I | 96 | Very high | 96.3 | Very high | 54 Ų | 54 | 54.2 Ų | 54.2 | 28% | 0.277 | 31% | 0.308 | S | S | . | . | G | 310 helix | trans | -58.5 | -27.9 | -179.7 | 66.1 | 176.7 | 0 | 0 | 0 | 112.4 | V176 K177 L180 D181 | I174-V176 PolarHBondContact O-N 3.48Å; I174-K177 PolarHBondContact O-N 2.75Å; I174-L180 HydrophobicContact CB-CB 4.01Å; I174-L180 HydrophobicContact CB-CD1 3.95Å; I174-L180 HydrophobicContact CG2-CD1 3.76Å; I174-D181 WeakPolarHBondContact CD1-OD2 3.46Å; I174-D181 HydrophobicContact CG1-CB 4.13Å; I174-D181 PolarHBondContact O-N 3.47Å; I174-D181 VanDerWaalsContact O-N 3.16Å |
| 175 | R | 97.3 | Very high | 96.3 | Very high | 37 Ų | 37 | 51 Ų | 51 | 14% | 0.14 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -72.2 | -12 | -179.5 | -66 | 169.6 | -173 | 86 | -7 | 114.3 | F169 D173 D181 G184 D188 I222 F244 | F169-R175 HydrophobicContact CZ-CB 4.21Å; D173-R175 PolarHBondContact O-N 3.47Å; D173-R175 VanDerWaalsContact O-N 3.12Å; D173-R175 WeakPolarHBondContact OD1-CB 3.31Å; D173-R175 WeakPolarHBondContact OD1-CG 3.42Å; D173-R175 IonicContact OD1-CZ 3.9Å; D173-R175 PolarHBondContact OD1-N 3.31Å; D173-R175 IonicContact OD1-NH1 2.78Å; D173-R175 PolarHBondContact OD1-NH1 3.43Å; D173-R175 IonicContact OD2-NH1 2.72Å; D173-R175 PolarHBondContact OD2-NH1 3Å; R175-D181 HydrophobicContact CB-CB 4.4Å; R175-D181 HydrophobicContact CG-CB 3.96Å; R175-G184 VanDerWaalsContact O-CA 3.31Å; R175-G184 WeakPolarHBondContact O-CA 3.18Å; R175-D188 HydrophobicContact CG-CB 4.46Å; R175-D188 IonicContact CZ-OD1 2.77Å; R175-D188 IonicContact NE-OD1 2.76Å; R175-D188 PolarHBondContact NE-OD1 3.12Å; R175-D188 IonicContact NE-OD2 3.35Å; R175-D188 PolarHBondContact NE-OD2 3.16Å; R175-D188 IonicContact NH2-OD1 3.46Å; R175-I222 WeakPolarHBondContact O-CG2 3.27Å; R175-F244 HydrophobicContact CB-CE2 4.01Å; R175-F244 HydrophobicContact CB-CZ 3.96Å; R175-F244 HydrophobicContact CG-CZ 4.5Å |
| 176 | V | 96.9 | Very high | 96.3 | Very high | 3 Ų | 3 | 50 Ų | 50 | 2% | 0.018 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -104.8 | 12.7 | 174 | -62.1 | 0 | 0 | 0 | 0 | 112.2 | F169 D173 I174 N218 L224 | F169-V176 HydrophobicContact CE1-CG1 4.32Å; D173-V176 WeakPolarHBondContact O-CG2 3.4Å; D173-V176 PolarHBondContact O-N 3.29Å; D173-V176 VanDerWaalsContact O-N 3.11Å; I174-V176 PolarHBondContact O-N 3.48Å; V176-N218 PolarHBondContact O-ND2 3.12Å; V176-L224 HydrophobicContact CG1-CD2 3.91Å |
| 177 | K | 96 | Very high | 96.3 | Very high | 75 Ų | 75 | 46.9 Ų | 46.9 | 33% | 0.326 | 25% | 0.251 | S | S | . | . | trans | -115.3 | 122 | -176.9 | -53.7 | -58.7 | 176.3 | -174.4 | 0 | 111.2 | K171 D173 I174 G179 L180 G182 | K171-K177 WeakPolarHBondContact O-CE 3.43Å; K171-K177 PolarHBondContact O-NZ 3.45Å; D173-K177 WeakPolarHBondContact O-CG 3.4Å; I174-K177 PolarHBondContact O-N 2.75Å; K177-G179 PolarHBondContact O-N 2.97Å; K177-L180 HydrophobicContact CB-CB 4.18Å; K177-L180 HydrophobicContact CB-CD1 4.07Å; K177-L180 HydrophobicContact CB-CG 4.2Å; K177-L180 HydrophobicContact CG-CD1 4.19Å; K177-L180 PolarHBondContact O-N 2.97Å; K177-L180 VanDerWaalsContact O-N 3.13Å; K177-G182 WeakPolarHBondContact O-CA 3.39Å | ||
| 178 | P | 91.9 | Very high | 96.4 | Very high | 77 Ų | 77 | 41.9 Ų | 41.9 | 50% | 0.5 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -31.4 | -179.9 | 21.8 | -32.4 | 0 | 0 | 0 | 113.8 | L180 A220 I222 | P178-L180 VanDerWaalsContact C-N 3.31Å; P178-L180 PolarHBondContact O-N 3.18Å; P178-A220 HydrophobicContact CG-CB 4.18Å; P178-I222 HydrophobicContact CB-CD1 3.91Å |
| 179 | G | 91.5 | Very high | 96.4 | Very high | 48 Ų | 48 | 37 Ų | 37 | 50% | 0.495 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | 2.3 | -180 | 0 | 0 | 0 | 0 | 0 | 115.5 | R83 K177 | R83-G179 WeakPolarHBondContact CB-O 3.32Å; R83-G179 WeakPolarHBondContact CG-O 3.28Å; K177-G179 PolarHBondContact O-N 2.97Å |
| 180 | L | 94 | Very high | 96.4 | Very high | 63 Ų | 63 | 35.6 Ų | 35.6 | 33% | 0.33 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -127.3 | -100.2 | -176.6 | -59.5 | 175.9 | 0 | 0 | 0 | 110.3 | P81 R83 I174 K177 P178 G182 | P81-L180 HydrophobicContact CB-CB 4.14Å; P81-L180 HydrophobicContact CB-CD2 4.08Å; P81-L180 HydrophobicContact CG-CD2 4.18Å; R83-L180 WeakPolarHBondContact CB-O 3.35Å; R83-L180 PolarHBondContact N-O 3.38Å; R83-L180 VanDerWaalsContact N-O 3.08Å; I174-L180 HydrophobicContact CB-CB 4.01Å; I174-L180 HydrophobicContact CB-CD1 3.95Å; I174-L180 HydrophobicContact CG2-CD1 3.76Å; K177-L180 HydrophobicContact CB-CB 4.18Å; K177-L180 HydrophobicContact CB-CD1 4.07Å; K177-L180 HydrophobicContact CB-CG 4.2Å; K177-L180 HydrophobicContact CG-CD1 4.19Å; K177-L180 PolarHBondContact O-N 2.97Å; K177-L180 VanDerWaalsContact O-N 3.13Å; P178-L180 VanDerWaalsContact C-N 3.31Å; P178-L180 PolarHBondContact O-N 3.18Å; L180-G182 VanDerWaalsContact C-N 3.28Å; L180-G182 PolarHBondContact O-N 3.34Å |
| 181 | D | 94.2 | Very high | 96.5 | Very high | 8 Ų | 8 | 33.2 Ų | 33.2 | 4% | 0.043 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -94.9 | 62.1 | 175.5 | -74.8 | 24.2 | 0 | 0 | 0 | 108.6 | P81 T82 I174 R175 L183 G184 | P81-D181 WeakPolarHBondContact CA-OD1 3.5Å; T82-D181 PolarHBondContact N-OD1 3.48Å; T82-D181 PolarHBondContact OG1-OD1 2.7Å; I174-D181 WeakPolarHBondContact CD1-OD2 3.46Å; I174-D181 HydrophobicContact CG1-CB 4.13Å; I174-D181 PolarHBondContact O-N 3.47Å; I174-D181 VanDerWaalsContact O-N 3.16Å; R175-D181 HydrophobicContact CB-CB 4.4Å; R175-D181 HydrophobicContact CG-CB 3.96Å; D181-L183 PolarHBondContact O-N 2.85Å; D181-G184 PolarHBondContact O-N 2.88Å |
| 182 | G | 92.5 | Very high | 96.6 | Very high | 14 Ų | 14 | 28.5 Ų | 28.5 | 14% | 0.144 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | 5.2 | -166.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | K177 L180 I222 | K177-G182 WeakPolarHBondContact O-CA 3.39Å; L180-G182 VanDerWaalsContact C-N 3.28Å; L180-G182 PolarHBondContact O-N 3.34Å; G182-I222 WeakPolarHBondContact O-CD1 3.44Å |
| 183 | L | 97.5 | Very high | 96.8 | Very high | 11 Ų | 11 | 22.5 Ų | 22.5 | 6% | 0.058 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | -5.5 | 177.9 | -66.3 | 176.5 | 0 | 0 | 0 | 113.2 | P104 A106 L107 D181 L186 G187 V333 K337 | P104-L183 HydrophobicContact CB-CD1 4.1Å; P104-L183 HydrophobicContact CG-CD1 3.98Å; A106-L183 WeakPolarHBondContact O-CD1 3.33Å; L107-L183 HydrophobicContact CD2-CG 4.36Å; D181-L183 PolarHBondContact O-N 2.85Å; L183-L186 PolarHBondContact O-N 3.2Å; L183-G187 PolarHBondContact O-N 3.48Å; L183-G187 VanDerWaalsContact O-N 3.12Å; L183-V333 HydrophobicContact CD1-CG1 4.05Å; L183-V333 HydrophobicContact CD2-CG1 4.41Å; L183-K337 HydrophobicContact CD2-CD 4.4Å |
| 184 | G | 98.4 | Very high | 96.8 | Very high | 2 Ų | 2 | 20.5 Ų | 20.5 | 2% | 0.021 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | 59.2 | -145 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | R175 D181 L186 G187 D188 I222 V223 F244 | R175-G184 VanDerWaalsContact O-CA 3.31Å; R175-G184 WeakPolarHBondContact O-CA 3.18Å; D181-G184 PolarHBondContact O-N 2.88Å; G184-L186 PolarHBondContact O-N 3.35Å; G184-G187 PolarHBondContact O-N 3.16Å; G184-D188 WeakPolarHBondContact O-CB 3.1Å; G184-D188 PolarHBondContact O-N 3.24Å; G184-I222 VanDerWaalsContact CA-CG2 3.46Å; G184-V223 CarbonylContact C-O 3.31Å; G184-V223 WeakPolarHBondContact CA-O 3.07Å; G184-F244 VanDerWaalsContact C-CZ 3.48Å |
| 185 | A | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -61.4 | -29.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | A189 G190 V223 L224 F244 | A185-A189 CarbonylContact O-C 3.36Å; A185-A189 WeakPolarHBondContact O-CA 3.28Å; A185-A189 WeakPolarHBondContact O-CB 3.26Å; A185-A189 PolarHBondContact O-N 3.49Å; A185-G190 PolarHBondContact O-N 3.02Å; A185-V223 PolarHBondContact N-O 3.36Å; A185-L224 WeakPolarHBondContact CB-O 3.28Å; A185-F244 HydrophobicContact CB-CD1 3.89Å; A185-F244 HydrophobicContact CB-CD2 4Å; A185-F244 HydrophobicContact CB-CE1 3.89Å; A185-F244 HydrophobicContact CB-CE2 4.01Å; A185-F244 HydrophobicContact CB-CG 3.95Å; A185-F244 HydrophobicContact CB-CZ 3.96Å; A185-F244 VanDerWaalsContact N-CE2 3.27Å; A185-F244 VanDerWaalsContact N-CZ 3.31Å |
| 186 | L | 98.7 | Very high | 97 | Very high | 1 Ų | 1 | 16.2 Ų | 16.2 | 1% | 0.005 | 10% | 0.101 | C | C | . | . | I | π-helix | trans | -67.3 | -47.7 | 178.1 | -179.4 | 60.7 | 0 | 0 | 0 | 111.4 | L183 G184 G190 W191 I194 V223 V333 V336 K337 | L183-L186 PolarHBondContact O-N 3.2Å; G184-L186 PolarHBondContact O-N 3.35Å; L186-G190 CarbonylContact O-C 3.59Å; L186-G190 VanDerWaalsContact O-C 3.26Å; L186-G190 WeakPolarHBondContact O-CA 3.48Å; L186-G190 PolarHBondContact O-N 3.13Å; L186-G190 VanDerWaalsContact O-N 3.17Å; L186-W191 PolarHBondContact O-N 3.28Å; L186-I194 HydrophobicContact CD1-CD1 4.42Å; L186-V223 HydrophobicContact CB-CG1 4.36Å; L186-V333 HydrophobicContact CD2-CG1 4.26Å; L186-V333 HydrophobicContact CG-CG1 4.12Å; L186-V336 HydrophobicContact CD1-CB 4.06Å; L186-V336 HydrophobicContact CD1-CG1 3.73Å; L186-V336 HydrophobicContact CD2-CB 3.97Å; L186-V336 HydrophobicContact CD2-CG1 3.78Å; L186-V336 HydrophobicContact CG-CG1 4.42Å; L186-K337 HydrophobicContact CD2-CB 4.07Å |
| 187 | G | 98.6 | Very high | 97.1 | Very high | 1 Ų | 1 | 16 Ų | 16 | 1% | 0.01 | 10% | 0.1 | C | C | . | . | I | π-helix | trans | -74.4 | -32.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114 | P104 L183 G184 W191 | P104-G187 WeakPolarHBondContact CD-O 3.3Å; L183-G187 PolarHBondContact O-N 3.48Å; L183-G187 VanDerWaalsContact O-N 3.12Å; G184-G187 PolarHBondContact O-N 3.16Å; G187-W191 VanDerWaalsContact O-CB 3.24Å; G187-W191 WeakPolarHBondContact O-CB 3.4Å |
| 188 | D | 98.5 | Very high | 97.2 | Very high | 14 Ų | 14 | 12.5 Ų | 12.5 | 8% | 0.075 | 8% | 0.084 | C | C | . | . | I | π-helix | trans | -84.4 | -50.5 | -178.4 | -175.5 | 63.3 | 0 | 0 | 0 | 112.8 | K103 R175 G184 Y192 F244 | K103-D188 PolarHBondContact NZ-O 3.13Å; K103-D188 IonicContact NZ-OD1 2.84Å; K103-D188 PolarHBondContact NZ-OD1 2.82Å; R175-D188 HydrophobicContact CG-CB 4.46Å; R175-D188 IonicContact CZ-OD1 2.77Å; R175-D188 IonicContact NE-OD1 2.76Å; R175-D188 PolarHBondContact NE-OD1 3.12Å; R175-D188 IonicContact NE-OD2 3.35Å; R175-D188 PolarHBondContact NE-OD2 3.16Å; R175-D188 IonicContact NH2-OD1 3.46Å; G184-D188 WeakPolarHBondContact O-CB 3.1Å; G184-D188 PolarHBondContact O-N 3.24Å; D188-Y192 VanDerWaalsContact O-CD2 3.31Å; D188-Y192 WeakPolarHBondContact O-CD2 3.46Å; D188-Y192 VanDerWaalsContact O-CE2 3.23Å; D188-Y192 WeakPolarHBondContact O-CE2 3.44Å; D188-F244 HydrophobicContact CB-CE1 4.11Å; D188-F244 HydrophobicContact CB-CZ 3.91Å |
| 189 | A | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 8.9 Ų | 8.9 | 0% | 0 | 6% | 0.061 | C | C | . | . | I | π-helix | trans | -103.8 | -41.8 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | F161 A185 W191 Y192 C242 | F161-A189 HydrophobicContact CB-CB 4.15Å; F161-A189 VanDerWaalsContact CD1-CA 3.49Å; F161-A189 HydrophobicContact CD1-CB 3.49Å; F161-A189 VanDerWaalsContact CD1-CB 3.49Å; F161-A189 HydrophobicContact CE1-CB 3.96Å; F161-A189 HydrophobicContact CG-CB 3.88Å; F161-A189 WeakPolarHBondContact O-CB 3.25Å; A185-A189 CarbonylContact O-C 3.36Å; A185-A189 WeakPolarHBondContact O-CA 3.28Å; A185-A189 WeakPolarHBondContact O-CB 3.26Å; A185-A189 PolarHBondContact O-N 3.49Å; A189-W191 PolarHBondContact O-N 3.01Å; A189-Y192 PolarHBondContact O-N 2.97Å; A189-C242 HydrophobicContact CB-CB 3.93Å |
| 190 | G | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 6.7 Ų | 6.7 | 0% | 0 | 4% | 0.038 | C | C | . | . | I | π-helix | trans | -61.7 | -27.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | A185 L186 Y192 T193 I194 | A185-G190 PolarHBondContact O-N 3.02Å; L186-G190 CarbonylContact O-C 3.59Å; L186-G190 VanDerWaalsContact O-C 3.26Å; L186-G190 WeakPolarHBondContact O-CA 3.48Å; L186-G190 PolarHBondContact O-N 3.13Å; L186-G190 VanDerWaalsContact O-N 3.17Å; G190-Y192 VanDerWaalsContact C-N 3.28Å; G190-Y192 PolarHBondContact O-N 2.75Å; G190-T193 WeakPolarHBondContact CA-OG1 3.49Å; G190-T193 PolarHBondContact O-N 3.37Å; G190-T193 PolarHBondContact O-OG1 3.39Å; G190-I194 WeakPolarHBondContact O-CB 3.48Å; G190-I194 VanDerWaalsContact O-CG1 3.28Å; G190-I194 WeakPolarHBondContact O-CG1 3.35Å; G190-I194 PolarHBondContact O-N 3.08Å |
| 191 | W | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 3.9 Ų | 3.9 | 0% | 0 | 2% | 0.023 | C | C | . | . | H | α-helix | trans | -51.4 | -47 | 172 | -178.3 | -86 | 0 | 0 | 0 | 112.5 | K103 P104 V105 T130 L186 G187 A189 Q195 T329 Q330 V333 | K103-W191 HydrophobicContact CB-CD2 4.08Å; K103-W191 HydrophobicContact CB-CG 4.18Å; K103-W191 HydrophobicContact CB-CZ2 4.26Å; K103-W191 HydrophobicContact CD-CB 4.39Å; K103-W191 HydrophobicContact CD-CG 4.07Å; K103-W191 HydrophobicContact CG-CG 4.45Å; P104-W191 HydrophobicContact CB-CD2 4.4Å; P104-W191 HydrophobicContact CB-CE3 3.69Å; P104-W191 HydrophobicContact CB-CZ3 3.99Å; V105-W191 HydrophobicContact CB-CH2 4.25Å; V105-W191 HydrophobicContact CG1-CH2 3.78Å; V105-W191 HydrophobicContact CG1-CZ2 4.04Å; V105-W191 HydrophobicContact CG2-CH2 3.73Å; V105-W191 HydrophobicContact CG2-CZ3 4.19Å; T130-W191 PolarHBondContact OG1-NE1 3.2Å; L186-W191 PolarHBondContact O-N 3.28Å; G187-W191 VanDerWaalsContact O-CB 3.24Å; G187-W191 WeakPolarHBondContact O-CB 3.4Å; A189-W191 PolarHBondContact O-N 3.01Å; W191-Q195 WeakPolarHBondContact O-CG 3.5Å; W191-Q195 PolarHBondContact O-N 3.38Å; W191-T329 HydrophobicContact CD2-CG2 3.58Å; W191-T329 HydrophobicContact CE3-CG2 3.67Å; W191-T329 HydrophobicContact CG-CG2 4.17Å; W191-T329 HydrophobicContact CH2-CG2 3.87Å; W191-T329 HydrophobicContact CZ2-CG2 3.82Å; W191-T329 HydrophobicContact CZ3-CG2 3.81Å; W191-Q330 HydrophobicContact CH2-CB 4.4Å; W191-Q330 HydrophobicContact CZ3-CB 4.09Å; W191-V333 HydrophobicContact CE3-CG2 4.1Å |
| 192 | Y | 98.9 | Very high | 98.2 | Very high | 23 Ų | 23 | 6.9 Ų | 6.9 | 9% | 0.09 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -67.2 | -40.2 | -179.4 | -66.3 | -79 | 0 | 0 | 0 | 112.3 | K103 T130 W132 F161 D188 A189 G190 Q195 A196 V267 | K103-Y192 HydrophobicContact CD-CE2 3.99Å; K103-Y192 VanDerWaalsContact CE-OH 3.25Å; K103-Y192 WeakPolarHBondContact CE-OH 3.41Å; T130-Y192 HydrophobicContact CG2-CD1 3.89Å; T130-Y192 HydrophobicContact CG2-CE1 3.76Å; W132-Y192 AromaticContact CD1-CD1 3.52Å; W132-Y192 AromaticContact CD1-CE1 3.88Å; W132-Y192 AromaticContact NE1-CD1 3.63Å; F161-Y192 AromaticContact CD1-CD2 3.59Å; F161-Y192 HydrophobicContact CD1-CD2 3.59Å; F161-Y192 HydrophobicContact CD1-CE2 4.23Å; F161-Y192 HydrophobicContact CD1-CG 4.26Å; F161-Y192 AromaticContact CE1-CD2 3.7Å; F161-Y192 HydrophobicContact CE1-CD2 3.7Å; F161-Y192 AromaticContact CE1-CE2 3.85Å; F161-Y192 HydrophobicContact CE1-CE2 3.85Å; D188-Y192 VanDerWaalsContact O-CD2 3.31Å; D188-Y192 WeakPolarHBondContact O-CD2 3.46Å; D188-Y192 VanDerWaalsContact O-CE2 3.23Å; D188-Y192 WeakPolarHBondContact O-CE2 3.44Å; A189-Y192 PolarHBondContact O-N 2.97Å; G190-Y192 VanDerWaalsContact C-N 3.28Å; G190-Y192 PolarHBondContact O-N 2.75Å; Y192-Q195 PolarHBondContact O-N 3Å; Y192-A196 WeakPolarHBondContact O-CB 3.44Å; Y192-A196 PolarHBondContact O-N 2.7Å; Y192-V267 HydrophobicContact CD1-CB 4.43Å; Y192-V267 HydrophobicContact CD1-CG1 3.68Å; Y192-V267 HydrophobicContact CD1-CG2 4.02Å; Y192-V267 HydrophobicContact CD2-CG1 4.17Å; Y192-V267 HydrophobicContact CD2-CG2 4.44Å; Y192-V267 HydrophobicContact CE1-CG1 3.56Å; Y192-V267 HydrophobicContact CE2-CG1 4.03Å; Y192-V267 HydrophobicContact CG-CG1 3.98Å; Y192-V267 HydrophobicContact CG-CG2 3.85Å |
| 193 | T | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -70.6 | -36.9 | -178.3 | 65.5 | 0 | 0 | 0 | 0 | 111.2 | S159 C160 F161 G190 A196 I197 I240 | S159-T193 WeakPolarHBondContact OG-CA 3.28Å; S159-T193 WeakPolarHBondContact OG-CB 3.03Å; C160-T193 VanDerWaalsContact C-CG2 3.46Å; F161-T193 HydrophobicContact CB-CG2 3.88Å; G190-T193 WeakPolarHBondContact CA-OG1 3.49Å; G190-T193 PolarHBondContact O-N 3.37Å; G190-T193 PolarHBondContact O-OG1 3.39Å; T193-A196 WeakPolarHBondContact O-CB 3.39Å; T193-A196 PolarHBondContact O-N 2.83Å; T193-I197 WeakPolarHBondContact O-CG2 3.4Å; T193-I197 PolarHBondContact O-N 2.82Å; T193-I197 VanDerWaalsContact O-N 3.09Å; T193-I240 WeakPolarHBondContact OG1-CB 3.5Å |
| 194 | I | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -63.5 | -46 | 172 | -69.9 | 170.4 | 0 | 0 | 0 | 110.6 | L186 G190 A196 I197 L198 F230 I240 T329 L332 V333 | L186-I194 HydrophobicContact CD1-CD1 4.42Å; G190-I194 WeakPolarHBondContact O-CB 3.48Å; G190-I194 VanDerWaalsContact O-CG1 3.28Å; G190-I194 WeakPolarHBondContact O-CG1 3.35Å; G190-I194 PolarHBondContact O-N 3.08Å; I194-A196 VanDerWaalsContact C-N 3.29Å; I194-A196 PolarHBondContact O-N 3.15Å; I194-I197 WeakPolarHBondContact O-CG1 3.36Å; I194-I197 PolarHBondContact O-N 3.38Å; I194-L198 HydrophobicContact CG2-CD1 4.2Å; I194-L198 WeakPolarHBondContact O-CG 3.16Å; I194-L198 PolarHBondContact O-N 3.06Å; I194-F230 HydrophobicContact CD1-CZ 4.47Å; I194-F230 HydrophobicContact CG1-CZ 4.05Å; I194-I240 HydrophobicContact CD1-CD1 4.03Å; I194-I240 HydrophobicContact CG1-CD1 3.59Å; I194-T329 HydrophobicContact CB-CG2 4.27Å; I194-T329 HydrophobicContact CG2-CG2 3.83Å; I194-L332 HydrophobicContact CD1-CB 4.27Å; I194-L332 HydrophobicContact CG2-CB 3.6Å; I194-L332 HydrophobicContact CG2-CD1 3.69Å; I194-L332 HydrophobicContact CG2-CG 4.23Å; I194-V333 HydrophobicContact CD1-CB 4.39Å; I194-V333 HydrophobicContact CD1-CG2 3.56Å |
| 195 | Q | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -61.6 | -37.8 | 175.5 | -76.9 | -160.2 | -2 | 0 | 0 | 112.4 | D128 T130 W132 W191 Y192 L198 L199 F325 T329 | D128-Q195 PolarHBondContact OD2-NE2 3.36Å; T130-Q195 PolarHBondContact OG1-NE2 2.94Å; W132-Q195 HydrophobicContact CZ2-CB 3.84Å; W191-Q195 WeakPolarHBondContact O-CG 3.5Å; W191-Q195 PolarHBondContact O-N 3.38Å; Y192-Q195 PolarHBondContact O-N 3Å; Q195-L198 PolarHBondContact O-N 3.26Å; Q195-L199 WeakPolarHBondContact O-CB 3.29Å; Q195-L199 PolarHBondContact O-N 3.14Å; Q195-F325 HydrophobicContact CB-CE1 4.31Å; Q195-F325 HydrophobicContact CB-CZ 3.7Å; Q195-F325 VanDerWaalsContact CD-CE1 3.47Å; Q195-F325 HydrophobicContact CG-CE1 3.9Å; Q195-F325 HydrophobicContact CG-CE2 4.29Å; Q195-F325 HydrophobicContact CG-CZ 3.58Å; Q195-T329 HydrophobicContact CG-CG2 3.64Å; Q195-T329 WeakPolarHBondContact CG-OG1 3.4Å |
| 196 | A | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -62.5 | -46.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | W132 Y192 T193 I194 L198 L199 V200 I252 F266 | W132-A196 HydrophobicContact CH2-CB 4.18Å; W132-A196 HydrophobicContact CZ2-CB 4.32Å; Y192-A196 WeakPolarHBondContact O-CB 3.44Å; Y192-A196 PolarHBondContact O-N 2.7Å; T193-A196 WeakPolarHBondContact O-CB 3.39Å; T193-A196 PolarHBondContact O-N 2.83Å; I194-A196 VanDerWaalsContact C-N 3.29Å; I194-A196 PolarHBondContact O-N 3.15Å; A196-L198 VanDerWaalsContact C-N 3.31Å; A196-L198 PolarHBondContact O-N 3.36Å; A196-L199 PolarHBondContact O-N 3.38Å; A196-V200 WeakPolarHBondContact O-CG2 3.38Å; A196-V200 PolarHBondContact O-N 3.25Å; A196-I252 HydrophobicContact CB-CD1 3.62Å; A196-I252 HydrophobicContact CB-CG1 3.8Å; A196-F266 HydrophobicContact CB-CE2 4.07Å; A196-F266 HydrophobicContact CB-CZ 4.32Å |
| 197 | I | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -66.3 | -36.1 | 178.7 | 66.6 | 168.5 | 0 | 0 | 0 | 111.5 | V157 T193 I194 N201 F230 W232 A238 I240 | V157-I197 HydrophobicContact CB-CG2 4.11Å; V157-I197 HydrophobicContact CG1-CB 4.44Å; V157-I197 HydrophobicContact CG1-CG2 3.86Å; T193-I197 WeakPolarHBondContact O-CG2 3.4Å; T193-I197 PolarHBondContact O-N 2.82Å; T193-I197 VanDerWaalsContact O-N 3.09Å; I194-I197 WeakPolarHBondContact O-CG1 3.36Å; I194-I197 PolarHBondContact O-N 3.38Å; I197-N201 WeakPolarHBondContact O-CB 3.28Å; I197-N201 PolarHBondContact O-N 3.03Å; I197-N201 VanDerWaalsContact O-N 3.14Å; I197-F230 HydrophobicContact CD1-CB 4.12Å; I197-F230 HydrophobicContact CD1-CD1 3.81Å; I197-F230 HydrophobicContact CD1-CD2 3.45Å; I197-F230 VanDerWaalsContact CD1-CD2 3.45Å; I197-F230 HydrophobicContact CD1-CE1 4.07Å; I197-F230 HydrophobicContact CD1-CE2 3.74Å; I197-F230 HydrophobicContact CD1-CG 3.51Å; I197-F230 HydrophobicContact CD1-CZ 4.04Å; I197-W232 HydrophobicContact CD1-CH2 4.3Å; I197-A238 HydrophobicContact CB-CB 3.77Å; I197-A238 HydrophobicContact CD1-CB 3.97Å; I197-A238 HydrophobicContact CG1-CB 4.45Å; I197-A238 HydrophobicContact CG2-CB 3.65Å; I197-I240 HydrophobicContact CD1-CG2 4.13Å; I197-I240 HydrophobicContact CG2-CG2 3.97Å |
| 198 | L | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -65 | -49.2 | 174.5 | -75.8 | 175.2 | 0 | 0 | 0 | 110.7 | I194 Q195 A196 V200 N201 N202 F203 K204 L205 F325 N328 L332 | I194-L198 HydrophobicContact CG2-CD1 4.2Å; I194-L198 WeakPolarHBondContact O-CG 3.16Å; I194-L198 PolarHBondContact O-N 3.06Å; Q195-L198 PolarHBondContact O-N 3.26Å; A196-L198 VanDerWaalsContact C-N 3.31Å; A196-L198 PolarHBondContact O-N 3.36Å; L198-V200 PolarHBondContact O-N 3.43Å; L198-N201 CarbonylContact O-C 3.5Å; L198-N201 PolarHBondContact O-N 3.36Å; L198-N202 PolarHBondContact O-N 3.4Å; L198-F203 VanDerWaalsContact O-CA 3.29Å; L198-F203 WeakPolarHBondContact O-CA 3.48Å; L198-F203 PolarHBondContact O-N 3.11Å; L198-K204 WeakPolarHBondContact CD2-O 3.05Å; L198-L205 HydrophobicContact CD2-CD2 4.4Å; L198-F325 HydrophobicContact CB-CE2 3.83Å; L198-F325 HydrophobicContact CD1-CD2 4.34Å; L198-F325 HydrophobicContact CD1-CE2 3.89Å; L198-N328 HydrophobicContact CD1-CB 4.34Å; L198-L332 HydrophobicContact CD1-CD1 3.99Å; L198-L332 HydrophobicContact CD2-CD1 3.82Å; L198-L332 HydrophobicContact CG-CD1 3.92Å |
| 199 | L | 98.4 | Very high | 98.3 | Very high | 1 Ų | 1 | 21.2 Ų | 21.2 | 1% | 0.005 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -57.7 | -48.4 | 179.9 | 176.5 | 145.9 | 0 | 0 | 0 | 111.7 | W132 M133 T138 I141 K142 Q195 A196 N201 N202 F203 | W132-L199 HydrophobicContact CH2-CB 4.29Å; W132-L199 HydrophobicContact CH2-CD1 3.92Å; W132-L199 HydrophobicContact CZ3-CD1 4.05Å; M133-L199 HydrophobicContact CE-CD1 3.66Å; M133-L199 HydrophobicContact SD-CD1 3.65Å; T138-L199 HydrophobicContact CG2-CD1 3.45Å; T138-L199 VanDerWaalsContact CG2-CD1 3.45Å; I141-L199 HydrophobicContact CG2-CD2 3.93Å; K142-L199 HydrophobicContact CD-CD1 4.05Å; K142-L199 HydrophobicContact CD-CG 4.39Å; K142-L199 HydrophobicContact CG-CD1 3.96Å; K142-L199 HydrophobicContact CG-CD2 3.91Å; K142-L199 HydrophobicContact CG-CG 3.95Å; Q195-L199 WeakPolarHBondContact O-CB 3.29Å; Q195-L199 PolarHBondContact O-N 3.14Å; A196-L199 PolarHBondContact O-N 3.38Å; L199-N201 VanDerWaalsContact C-N 3.27Å; L199-N201 PolarHBondContact O-N 2.86Å; L199-N202 PolarHBondContact O-N 2.93Å; L199-F203 HydrophobicContact CB-CE1 4.16Å; L199-F203 HydrophobicContact CG-CE1 4.45Å; L199-F203 HydrophobicContact CG-CZ 4.46Å |
| 200 | V | 98 | Very high | 98.3 | Very high | 3 Ų | 3 | 22.9 Ų | 22.9 | 2% | 0.018 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -65.9 | -32.3 | -177.7 | 170.9 | 0 | 0 | 0 | 0 | 111.7 | V145 I154 V157 A196 L198 N202 I252 A254 | V145-V200 HydrophobicContact CG1-CG1 4.34Å; I154-V200 HydrophobicContact CD1-CG1 3.75Å; I154-V200 HydrophobicContact CG1-CG1 4.41Å; V157-V200 HydrophobicContact CG1-CB 4.34Å; V157-V200 HydrophobicContact CG1-CG1 4.33Å; V157-V200 HydrophobicContact CG1-CG2 4.45Å; V157-V200 HydrophobicContact CG2-CB 4.05Å; V157-V200 HydrophobicContact CG2-CG1 3.5Å; A196-V200 WeakPolarHBondContact O-CG2 3.38Å; A196-V200 PolarHBondContact O-N 3.25Å; L198-V200 PolarHBondContact O-N 3.43Å; V200-N202 VanDerWaalsContact C-N 3.34Å; V200-I252 HydrophobicContact CG2-CG2 4.25Å; V200-A254 HydrophobicContact CG1-CB 3.55Å; V200-A254 HydrophobicContact CG2-CB 4.38Å |
| 201 | N | 97.5 | Very high | 98.3 | Very high | 4 Ų | 4 | 23.1 Ų | 23.1 | 2% | 0.021 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | 33.7 | 175.4 | -160.1 | 18.3 | 0 | 0 | 0 | 113.2 | I154 I197 L198 L199 F203 K204 W232 | I154-N201 WeakPolarHBondContact CG2-OD1 3.42Å; I197-N201 WeakPolarHBondContact O-CB 3.28Å; I197-N201 PolarHBondContact O-N 3.03Å; I197-N201 VanDerWaalsContact O-N 3.14Å; L198-N201 CarbonylContact O-C 3.5Å; L198-N201 PolarHBondContact O-N 3.36Å; L199-N201 VanDerWaalsContact C-N 3.27Å; L199-N201 PolarHBondContact O-N 2.86Å; N201-F203 VanDerWaalsContact C-N 3.3Å; N201-F203 PolarHBondContact O-N 3.44Å; N201-K204 WeakPolarHBondContact O-CB 3.23Å; N201-K204 WeakPolarHBondContact O-CG 3.36Å; N201-K204 PolarHBondContact O-N 3.34Å; N201-W232 HydrophobicContact CB-CZ2 4.22Å; N201-W232 WeakPolarHBondContact ND2-CZ2 3.39Å; N201-W232 PolarHBondContact ND2-NE1 3.46Å; N201-W232 VanDerWaalsContact ND2-NE1 3.15Å |
| 202 | N | 96.9 | Very high | 98.3 | Very high | 70 Ų | 70 | 26.9 Ų | 26.9 | 37% | 0.374 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.2 | 41.9 | 173.1 | -71.2 | -33.2 | 0 | 0 | 0 | 114.7 | N146 L198 L199 V200 K204 | N146-N202 PolarHBondContact ND2-OD1 3.37Å; N146-N202 VanDerWaalsContact ND2-OD1 3.12Å; N146-N202 PolarHBondContact OD1-ND2 3.42Å; N146-N202 PolarHBondContact OD1-OD1 3.49Å; L198-N202 PolarHBondContact O-N 3.4Å; L199-N202 PolarHBondContact O-N 2.93Å; V200-N202 VanDerWaalsContact C-N 3.34Å; N202-K204 PolarHBondContact O-N 2.98Å |
| 203 | F | 97.6 | Very high | 98.2 | Very high | 60 Ų | 60 | 30.6 Ų | 30.6 | 26% | 0.263 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.4 | 16 | 176.5 | -45.6 | -75.1 | 0 | 0 | 0 | 114.6 | M133 L198 L199 N201 F321 F325 | M133-F203 HydrophobicContact CE-CE1 4.22Å; L198-F203 VanDerWaalsContact O-CA 3.29Å; L198-F203 WeakPolarHBondContact O-CA 3.48Å; L198-F203 PolarHBondContact O-N 3.11Å; L199-F203 HydrophobicContact CB-CE1 4.16Å; L199-F203 HydrophobicContact CG-CE1 4.45Å; L199-F203 HydrophobicContact CG-CZ 4.46Å; N201-F203 VanDerWaalsContact C-N 3.3Å; N201-F203 PolarHBondContact O-N 3.44Å; F203-F321 HydrophobicContact CD1-CE2 4.34Å; F203-F321 HydrophobicContact CD1-CZ 4.44Å; F203-F321 HydrophobicContact CD2-CE2 4.28Å; F203-F321 HydrophobicContact CE1-CE2 4.18Å; F203-F321 AromaticContact CE1-CZ 3.93Å; F203-F321 HydrophobicContact CE1-CZ 3.93Å; F203-F321 HydrophobicContact CE2-CE2 4.12Å; F203-F321 HydrophobicContact CE2-CZ 4.4Å; F203-F321 HydrophobicContact CG-CE2 4.38Å; F203-F321 HydrophobicContact CZ-CE2 4.07Å; F203-F321 AromaticContact CZ-CZ 3.9Å; F203-F321 HydrophobicContact CZ-CZ 3.9Å; F203-F325 AromaticContact CD1-CD2 3.79Å; F203-F325 HydrophobicContact CD1-CD2 3.79Å; F203-F325 AromaticContact CD1-CE2 3.69Å; F203-F325 HydrophobicContact CD1-CE2 3.69Å; F203-F325 HydrophobicContact CD1-CZ 4.32Å; F203-F325 HydrophobicContact CE1-CD2 4.3Å; F203-F325 HydrophobicContact CE1-CE2 4.02Å; F203-F325 HydrophobicContact CE1-CZ 4.2Å |
| 204 | K | 97 | Very high | 98 | Very high | 107 Ų | 107 | 33.8 Ų | 33.8 | 47% | 0.465 | 19% | 0.193 | S | C | . | . | P | Polyproline II helix | trans | -71.6 | 133.6 | 175.8 | -65.8 | 176.6 | -179.4 | 176.2 | 0 | 109.5 | L198 N201 N202 W232 | L198-K204 WeakPolarHBondContact CD2-O 3.05Å; N201-K204 WeakPolarHBondContact O-CB 3.23Å; N201-K204 WeakPolarHBondContact O-CG 3.36Å; N201-K204 PolarHBondContact O-N 3.34Å; N202-K204 PolarHBondContact O-N 2.98Å; K204-W232 VanDerWaalsContact O-CZ2 3.24Å; K204-W232 WeakPolarHBondContact O-CZ2 3.25Å; K204-W232 PolarHBondContact O-NE1 3.16Å |
| 205 | L | 97.8 | Very high | 98 | Very high | 50 Ų | 50 | 35.2 Ų | 35.2 | 26% | 0.262 | 20% | 0.203 | S | C | . | . | P | Polyproline II helix | trans | -72.7 | 139.1 | 169.1 | -77.1 | 170.7 | 0 | 0 | 0 | 110.8 | L198 W232 N328 L331 L332 | L198-L205 HydrophobicContact CD2-CD2 4.4Å; L205-W232 VanDerWaalsContact O-CD1 3.22Å; L205-W232 PolarHBondContact O-NE1 2.9Å; L205-N328 HydrophobicContact CD2-CB 3.86Å; L205-N328 HydrophobicContact CG-CB 4.36Å; L205-L331 HydrophobicContact CD1-CD2 4.06Å; L205-L331 HydrophobicContact CD2-CD2 4.48Å; L205-L332 HydrophobicContact CD2-CD1 4.23Å; L205-L332 HydrophobicContact CD2-CD2 4.08Å; L205-L332 HydrophobicContact CD2-CG 4.03Å |
| 206 | P | 98.1 | Very high | 98 | Very high | 3 Ų | 3 | 38.1 Ų | 38.1 | 2% | 0.019 | 22% | 0.221 | C | C | . | . | P | Polyproline II helix | trans | -63.5 | 168.2 | 167.9 | 25.1 | -27.7 | 0 | 0 | 0 | 110.7 | V209 F230 D231 W232 L332 L349 | P206-V209 HydrophobicContact CG-CG2 4.26Å; P206-F230 HydrophobicContact CB-CB 4.11Å; P206-F230 HydrophobicContact CG-CB 4.1Å; P206-F230 HydrophobicContact CG-CD1 3.86Å; P206-F230 HydrophobicContact CG-CG 4.47Å; P206-D231 CarbonylContact C-O 3.55Å; P206-D231 WeakPolarHBondContact CB-O 3.27Å; P206-W232 HydrophobicContact CB-CD2 3.8Å; P206-W232 HydrophobicContact CB-CE3 3.96Å; P206-W232 HydrophobicContact CB-CG 4.38Å; P206-W232 HydrophobicContact CB-CH2 4.16Å; P206-W232 HydrophobicContact CB-CZ2 4.01Å; P206-W232 HydrophobicContact CB-CZ3 4.12Å; P206-W232 HydrophobicContact CG-CH2 4.28Å; P206-W232 HydrophobicContact CG-CZ2 4.13Å; P206-L332 HydrophobicContact CG-CD1 4.25Å; P206-L332 HydrophobicContact CG-CD2 3.67Å; P206-L349 HydrophobicContact CG-CD1 3.93Å; P206-L349 WeakPolarHBondContact O-CD1 3.48Å |
| 207 | K | 98.1 | Very high | 97.9 | Very high | 110 Ų | 110 | 41.5 Ų | 41.5 | 48% | 0.478 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -87.6 | -39.4 | 172.9 | -61.4 | -56.7 | -175.4 | -176.6 | 0 | 111.4 | D231 W232 E233 L349 | K207-D231 PolarHBondContact N-O 3.1Å; K207-W232 WeakPolarHBondContact CG-O 3.47Å; K207-E233 HydrophobicContact CB-CG 3.92Å; K207-E233 HydrophobicContact CG-CB 4.22Å; K207-E233 HydrophobicContact CG-CG 4.08Å; K207-L349 PolarHBondContact O-N 3.2Å |
| 208 | T | 98.5 | Very high | 97.8 | Very high | 15 Ų | 15 | 43.1 Ų | 43.1 | 9% | 0.092 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 149.8 | -178.5 | 62.1 | 0 | 0 | 0 | 0 | 112 | D231 V347 F348 | T208-D231 PolarHBondContact N-O 3.22Å; T208-D231 PolarHBondContact O-N 3.33Å; T208-V347 VanDerWaalsContact CA-O 3.31Å; T208-V347 WeakPolarHBondContact CA-O 3.23Å; T208-F348 HydrophobicContact CG2-CD1 3.46Å; T208-F348 VanDerWaalsContact CG2-CD1 3.46Å; T208-F348 HydrophobicContact CG2-CE1 3.52Å; T208-F348 HydrophobicContact CG2-CG 4.18Å; T208-F348 HydrophobicContact CG2-CZ 4.28Å |
| 209 | V | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 132.9 | 173.2 | -176 | 0 | 0 | 0 | 0 | 108.2 | P206 A228 L229 F230 L332 A335 V336 V347 L349 | P206-V209 HydrophobicContact CG-CG2 4.26Å; V209-A228 HydrophobicContact CG1-CB 4.4Å; V209-L229 CarbonylContact C-O 3.5Å; V209-L229 WeakPolarHBondContact CA-O 3.48Å; V209-F230 HydrophobicContact CB-CD1 4.34Å; V209-F230 HydrophobicContact CB-CE1 4.43Å; V209-F230 HydrophobicContact CG1-CD1 3.98Å; V209-F230 HydrophobicContact CG1-CE1 3.7Å; V209-F230 HydrophobicContact CG1-CZ 4.15Å; V209-F230 HydrophobicContact CG2-CD1 3.59Å; V209-F230 HydrophobicContact CG2-CE1 3.84Å; V209-L332 HydrophobicContact CG2-CD2 3.88Å; V209-A335 HydrophobicContact CB-CB 3.94Å; V209-A335 HydrophobicContact CG1-CB 4.27Å; V209-A335 HydrophobicContact CG2-CB 3.92Å; V209-V336 HydrophobicContact CG1-CB 4.49Å; V209-V336 HydrophobicContact CG1-CG2 3.6Å; V209-V347 PolarHBondContact N-O 2.96Å; V209-V347 PolarHBondContact O-N 2.78Å; V209-L349 HydrophobicContact CG2-CD1 4.03Å; V209-L349 HydrophobicContact CG2-CG 4.46Å |
| 210 | T | 98.8 | Very high | 97.6 | Very high | 35 Ų | 35 | 54.5 Ų | 54.5 | 22% | 0.215 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 123.5 | 176.5 | -52.3 | 0 | 0 | 0 | 0 | 109.4 | A228 L229 L344 | T210-A228 CarbonylContact O-C 3.57Å; T210-A228 VanDerWaalsContact O-CA 3.31Å; T210-A228 WeakPolarHBondContact O-CA 3.48Å; T210-L229 PolarHBondContact N-O 3Å; T210-L229 PolarHBondContact O-N 2.81Å; T210-L344 VanDerWaalsContact CG2-O 3.31Å; T210-L344 WeakPolarHBondContact CG2-O 3.36Å |
| 211 | A | 98.8 | Very high | 97.5 | Very high | 4 Ų | 4 | 56.1 Ų | 56.1 | 3% | 0.033 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 144.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | S339 I340 L344 | A211-S339 PolarHBondContact N-OG 3.36Å; A211-I340 HydrophobicContact CB-CB 4.5Å; A211-I340 HydrophobicContact CB-CD1 4.47Å; A211-I340 HydrophobicContact CB-CG1 3.49Å; A211-I340 VanDerWaalsContact CB-CG1 3.49Å; A211-L344 HydrophobicContact CB-CD2 3.85Å |
| 212 | L | 98.4 | Very high | 97.5 | Very high | 79 Ų | 79 | 56.2 Ų | 56.2 | 41% | 0.414 | 33% | 0.334 | S | S | . | . | P | Polyproline II helix | trans | -79.4 | 148.7 | 173.3 | -59.6 | -179.7 | 0 | 0 | 0 | 110 | G227 | L212-G227 PolarHBondContact N-O 2.73Š|
| 213 | S | 96.8 | Very high | 97.6 | Very high | 101 Ų | 101 | 53.3 Ų | 53.3 | 71% | 0.706 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | 149.3 | 170.9 | 60.6 | 0 | 0 | 0 | 0 | 111.5 | ||
| 214 | G | 95.3 | Very high | 97.6 | Very high | 67 Ų | 67 | 51.3 Ų | 51.3 | 69% | 0.691 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.3 | 17.8 | 176 | 0 | 0 | 0 | 0 | 0 | 114.7 | V216 | G214-V216 PolarHBondContact O-N 2.95Š|
| 215 | S | 97.9 | Very high | 97.7 | Very high | 30 Ų | 30 | 46.6 Ų | 46.6 | 21% | 0.21 | 29% | 0.291 | C | S | . | . | trans | -55.8 | 135.4 | 165.7 | -63.8 | 0 | 0 | 0 | 0 | 110.7 | S225 C226 | S215-S225 CarbonylContact C-O 3.53Å; S215-S225 VanDerWaalsContact CA-O 3.27Å; S215-S225 WeakPolarHBondContact CA-O 3.38Å; S215-C226 WeakPolarHBondContact OG-CB 3.14Å | ||
| 216 | V | 98.4 | Very high | 97.8 | Very high | 61 Ų | 61 | 44.3 Ų | 44.3 | 37% | 0.37 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 120.8 | 178.2 | -176.8 | 0 | 0 | 0 | 0 | 108 | G214 L224 S225 L245 | G214-V216 PolarHBondContact O-N 2.95Å; V216-L224 HydrophobicContact CG1-CB 4.43Å; V216-L224 PolarHBondContact O-N 3.38Å; V216-S225 PolarHBondContact N-O 3.26Å; V216-S225 PolarHBondContact O-N 2.68Å; V216-L245 HydrophobicContact CB-CD1 4.29Å; V216-L245 HydrophobicContact CG1-CD1 3.95Å |
| 217 | L | 98 | Very high | 97.8 | Very high | 71 Ų | 71 | 44.5 Ų | 44.5 | 37% | 0.372 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 148.4 | 175.7 | -68.5 | 73 | 0 | 0 | 0 | 108.9 | I222 V223 I340 | L217-I222 CarbonylContact C-O 3.58Å; L217-I222 VanDerWaalsContact CA-O 3.23Å; L217-I222 WeakPolarHBondContact CA-O 3.49Å; L217-V223 HydrophobicContact CG-CG2 4.49Å; L217-I340 HydrophobicContact CD1-CG2 4.3Å |
| 218 | N | 97.2 | Very high | 97.8 | Very high | 35 Ų | 35 | 39.2 Ų | 39.2 | 19% | 0.187 | 26% | 0.259 | C | S | . | . | trans | -78.3 | 174.9 | 166.6 | 75.4 | 4.8 | 0 | 0 | 0 | 111.1 | V176 A220 G221 I222 L224 | V176-N218 PolarHBondContact O-ND2 3.12Å; N218-A220 PolarHBondContact O-N 3.16Å; N218-A220 WeakPolarHBondContact OD1-CA 3.47Å; N218-A220 WeakPolarHBondContact OD1-CB 3.38Å; N218-A220 PolarHBondContact OD1-N 2.64Å; N218-G221 PolarHBondContact O-N 3.1Å; N218-G221 PolarHBondContact OD1-N 2.65Å; N218-I222 PolarHBondContact N-O 3.37Å; N218-I222 WeakPolarHBondContact OD1-CB 3.22Å; N218-I222 PolarHBondContact OD1-N 3.5Å; N218-L224 HydrophobicContact CB-CD1 3.98Å; N218-L224 HydrophobicContact CB-CD2 4.25Å; N218-L224 HydrophobicContact CB-CG 4.13Å | ||
| 219 | D | 96 | Very high | 97.9 | Very high | 182 Ų | 182 | 41.6 Ų | 41.6 | 97% | 0.973 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -20.4 | -179.7 | -61.5 | -18.6 | 0 | 0 | 0 | 113.9 | G221 | D219-G221 VanDerWaalsContact C-N 3.34Š|
| 220 | A | 95.7 | Very high | 97.9 | Very high | 57 Ų | 57 | 41.6 Ų | 41.6 | 47% | 0.471 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | 5.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | P178 N218 I222 | P178-A220 HydrophobicContact CG-CB 4.18Å; N218-A220 PolarHBondContact O-N 3.16Å; N218-A220 WeakPolarHBondContact OD1-CA 3.47Å; N218-A220 WeakPolarHBondContact OD1-CB 3.38Å; N218-A220 PolarHBondContact OD1-N 2.64Å; A220-I222 VanDerWaalsContact C-N 3.35Å; A220-I222 HydrophobicContact CB-CG1 4.35Å |
| 221 | G | 95.9 | Very high | 97.8 | Very high | 38 Ų | 38 | 42.7 Ų | 42.7 | 39% | 0.392 | 28% | 0.275 | S | S | . | . | S | Bend | trans | 78.5 | 13.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | N218 D219 | N218-G221 PolarHBondContact O-N 3.1Å; N218-G221 PolarHBondContact OD1-N 2.65Å; D219-G221 VanDerWaalsContact C-N 3.34Å |
| 222 | I | 97.7 | Very high | 97.8 | Very high | 6 Ų | 6 | 43.1 Ų | 43.1 | 3% | 0.031 | 28% | 0.276 | C | S | . | . | trans | -84.2 | 129.5 | 179.2 | -54.1 | -61.9 | 0 | 0 | 0 | 110.3 | R175 P178 G182 G184 L217 N218 A220 L224 | R175-I222 WeakPolarHBondContact O-CG2 3.27Å; P178-I222 HydrophobicContact CB-CD1 3.91Å; G182-I222 WeakPolarHBondContact O-CD1 3.44Å; G184-I222 VanDerWaalsContact CA-CG2 3.46Å; L217-I222 CarbonylContact C-O 3.58Å; L217-I222 VanDerWaalsContact CA-O 3.23Å; L217-I222 WeakPolarHBondContact CA-O 3.49Å; N218-I222 PolarHBondContact N-O 3.37Å; N218-I222 WeakPolarHBondContact OD1-CB 3.22Å; N218-I222 PolarHBondContact OD1-N 3.5Å; A220-I222 VanDerWaalsContact C-N 3.35Å; A220-I222 HydrophobicContact CB-CG1 4.35Å; I222-L224 PolarHBondContact O-N 3.32Å | ||
| 223 | V | 98.4 | Very high | 97.7 | Very high | 8 Ų | 8 | 45.2 Ų | 45.2 | 5% | 0.048 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 113.3 | 178 | -178 | 0 | 0 | 0 | 0 | 110.1 | G184 A185 L186 L217 C226 I340 | G184-V223 CarbonylContact C-O 3.31Å; G184-V223 WeakPolarHBondContact CA-O 3.07Å; A185-V223 PolarHBondContact N-O 3.36Å; L186-V223 HydrophobicContact CB-CG1 4.36Å; L217-V223 HydrophobicContact CG-CG2 4.49Å; V223-C226 HydrophobicContact CG1-CB 3.72Å; V223-C226 VanDerWaalsContact CG1-SG 3.59Å; V223-I340 HydrophobicContact CG2-CD1 4.22Å |
| 224 | L | 98.7 | Very high | 97.6 | Very high | 19 Ų | 19 | 44.9 Ų | 44.9 | 10% | 0.099 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | -26.6 | 173 | -58.4 | -173.8 | 0 | 0 | 0 | 112.3 | L170 V176 A185 V216 N218 I222 S243 F244 L245 | L170-L224 HydrophobicContact CD2-CD1 4.49Å; L170-L224 HydrophobicContact CD2-CD2 4.34Å; V176-L224 HydrophobicContact CG1-CD2 3.91Å; A185-L224 WeakPolarHBondContact CB-O 3.28Å; V216-L224 HydrophobicContact CG1-CB 4.43Å; V216-L224 PolarHBondContact O-N 3.38Å; N218-L224 HydrophobicContact CB-CD1 3.98Å; N218-L224 HydrophobicContact CB-CD2 4.25Å; N218-L224 HydrophobicContact CB-CG 4.13Å; I222-L224 PolarHBondContact O-N 3.32Å; L224-S243 CarbonylContact O-C 2.76Å; L224-S243 WeakPolarHBondContact O-CA 3.38Å; L224-F244 HydrophobicContact CD2-CD2 4.22Å; L224-F244 PolarHBondContact O-N 3.44Å; L224-L245 HydrophobicContact CB-CD1 4.09Å; L224-L245 HydrophobicContact CB-CG 4.33Å |
| 225 | S | 98.9 | Very high | 97.6 | Very high | 8 Ų | 8 | 44 Ų | 44 | 6% | 0.056 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.3 | 134.7 | 178.6 | 175.7 | 0 | 0 | 0 | 0 | 109.3 | S215 V216 Y241 C242 S243 | S215-S225 CarbonylContact C-O 3.53Å; S215-S225 VanDerWaalsContact CA-O 3.27Å; S215-S225 WeakPolarHBondContact CA-O 3.38Å; V216-S225 PolarHBondContact N-O 3.26Å; V216-S225 PolarHBondContact O-N 2.68Å; S225-Y241 PolarHBondContact OG-OH 3.21Å; S225-C242 CarbonylContact C-O 2.89Å; S225-C242 VanDerWaalsContact CA-O 3.28Å; S225-C242 WeakPolarHBondContact CA-O 3.33Å; S225-S243 PolarHBondContact OG-OG 3.41Å |
| 226 | C | 98.9 | Very high | 97.7 | Very high | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.014 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.1 | 167 | 172.2 | 66.2 | 0 | 0 | 0 | 0 | 111.2 | S215 V223 Y241 C242 I340 | S215-C226 WeakPolarHBondContact OG-CB 3.14Å; V223-C226 HydrophobicContact CG1-CB 3.72Å; V223-C226 VanDerWaalsContact CG1-SG 3.59Å; C226-Y241 WeakPolarHBondContact O-CD2 2.79Å; C226-C242 PolarHBondContact N-O 2.96Å; C226-C242 PolarHBondContact O-N 3.27Å; C226-I340 HydrophobicContact CB-CD1 3.82Å |
| 227 | G | 98.8 | Very high | 97.7 | Very high | 6 Ų | 6 | 43 Ų | 43 | 6% | 0.062 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 168.2 | 165.3 | 0 | 0 | 0 | 0 | 0 | 111 | L212 I240 | L212-G227 PolarHBondContact N-O 2.73Å; G227-I240 CarbonylContact C-O 3.55Å; G227-I240 WeakPolarHBondContact CA-O 3.24Å |
| 228 | A | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 152.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | V209 T210 F230 T239 I240 V336 | V209-A228 HydrophobicContact CG1-CB 4.4Å; T210-A228 CarbonylContact O-C 3.57Å; T210-A228 VanDerWaalsContact O-CA 3.31Å; T210-A228 WeakPolarHBondContact O-CA 3.48Å; A228-F230 HydrophobicContact CB-CE2 3.78Å; A228-F230 HydrophobicContact CB-CZ 4.06Å; A228-T239 CarbonylContact O-C 3.59Å; A228-T239 VanDerWaalsContact O-CA 3.29Å; A228-T239 WeakPolarHBondContact O-CA 3.4Å; A228-I240 HydrophobicContact CB-CD1 4.46Å; A228-I240 HydrophobicContact CB-CG1 4.18Å; A228-I240 PolarHBondContact N-O 3.09Å; A228-I240 VanDerWaalsContact N-O 3.11Å; A228-I240 PolarHBondContact O-N 3.1Å; A228-V336 HydrophobicContact CB-CB 4.39Å; A228-V336 HydrophobicContact CB-CG1 3.98Å; A228-V336 HydrophobicContact CB-CG2 3.56Å |
| 229 | L | 98.8 | Very high | 97.8 | Very high | 65 Ų | 65 | 39.9 Ų | 39.9 | 34% | 0.34 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 137.8 | 168.3 | 177.5 | 69.2 | 0 | 0 | 0 | 109.3 | V209 T210 N237 A238 T239 | V209-L229 CarbonylContact C-O 3.5Å; V209-L229 WeakPolarHBondContact CA-O 3.48Å; T210-L229 PolarHBondContact N-O 3Å; T210-L229 PolarHBondContact O-N 2.81Å; L229-N237 HydrophobicContact CD1-CB 4.24Å; L229-A238 CarbonylContact C-O 3.55Å; L229-A238 WeakPolarHBondContact CA-O 3.49Å; L229-T239 HydrophobicContact CD1-CG2 3.77Å |
| 230 | F | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 128.3 | 175.6 | -58.1 | -100.6 | 0 | 0 | 0 | 108.1 | I194 I197 P206 V209 A228 W232 N237 A238 I240 L332 V336 | I194-F230 HydrophobicContact CD1-CZ 4.47Å; I194-F230 HydrophobicContact CG1-CZ 4.05Å; I197-F230 HydrophobicContact CD1-CB 4.12Å; I197-F230 HydrophobicContact CD1-CD1 3.81Å; I197-F230 HydrophobicContact CD1-CD2 3.45Å; I197-F230 VanDerWaalsContact CD1-CD2 3.45Å; I197-F230 HydrophobicContact CD1-CE1 4.07Å; I197-F230 HydrophobicContact CD1-CE2 3.74Å; I197-F230 HydrophobicContact CD1-CG 3.51Å; I197-F230 HydrophobicContact CD1-CZ 4.04Å; P206-F230 HydrophobicContact CB-CB 4.11Å; P206-F230 HydrophobicContact CG-CB 4.1Å; P206-F230 HydrophobicContact CG-CD1 3.86Å; P206-F230 HydrophobicContact CG-CG 4.47Å; V209-F230 HydrophobicContact CB-CD1 4.34Å; V209-F230 HydrophobicContact CB-CE1 4.43Å; V209-F230 HydrophobicContact CG1-CD1 3.98Å; V209-F230 HydrophobicContact CG1-CE1 3.7Å; V209-F230 HydrophobicContact CG1-CZ 4.15Å; V209-F230 HydrophobicContact CG2-CD1 3.59Å; V209-F230 HydrophobicContact CG2-CE1 3.84Å; A228-F230 HydrophobicContact CB-CE2 3.78Å; A228-F230 HydrophobicContact CB-CZ 4.06Å; F230-W232 HydrophobicContact CB-CH2 4.15Å; F230-W232 HydrophobicContact CB-CZ3 3.77Å; F230-N237 CarbonylContact O-C 3.55Å; F230-N237 VanDerWaalsContact O-CA 3.24Å; F230-N237 WeakPolarHBondContact O-CA 3.12Å; F230-A238 HydrophobicContact CB-CB 4.31Å; F230-A238 PolarHBondContact N-O 2.87Å; F230-A238 PolarHBondContact O-N 3.17Å; F230-I240 HydrophobicContact CD2-CG2 4.34Å; F230-I240 HydrophobicContact CE2-CB 4.22Å; F230-I240 HydrophobicContact CE2-CD1 3.7Å; F230-I240 HydrophobicContact CE2-CG1 3.74Å; F230-I240 HydrophobicContact CE2-CG2 3.7Å; F230-I240 HydrophobicContact CZ-CD1 3.69Å; F230-I240 HydrophobicContact CZ-CG1 4.26Å; F230-I240 HydrophobicContact CZ-CG2 4.46Å; F230-L332 HydrophobicContact CD1-CD1 4.3Å; F230-L332 HydrophobicContact CD1-CD2 4.26Å; F230-L332 HydrophobicContact CE1-CB 4.1Å; F230-L332 HydrophobicContact CE1-CD1 4.17Å; F230-L332 HydrophobicContact CE1-CD2 4.2Å; F230-L332 HydrophobicContact CE1-CG 4.38Å; F230-V336 HydrophobicContact CE1-CG2 4.08Å; F230-V336 HydrophobicContact CZ-CG2 3.6Å |
| 231 | D | 98.5 | Very high | 98.1 | Very high | 57 Ų | 57 | 32 Ų | 32 | 31% | 0.305 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 130.3 | -177.7 | -166.6 | -11.1 | 0 | 0 | 0 | 110.5 | P206 K207 T208 E233 | P206-D231 CarbonylContact C-O 3.55Å; P206-D231 WeakPolarHBondContact CB-O 3.27Å; K207-D231 PolarHBondContact N-O 3.1Å; T208-D231 PolarHBondContact N-O 3.22Å; T208-D231 PolarHBondContact O-N 3.33Å; D231-E233 PolarHBondContact OD1-N 3.45Å |
| 232 | W | 98 | Very high | 98.2 | Very high | 13 Ų | 13 | 30.2 Ų | 30.2 | 5% | 0.049 | 17% | 0.167 | C | C | . | . | trans | -93.2 | -5.2 | 176.2 | -81.4 | -101.3 | 0 | 0 | 0 | 113.4 | I197 N201 K204 L205 P206 K207 F230 D234 V236 A238 | I197-W232 HydrophobicContact CD1-CH2 4.3Å; N201-W232 HydrophobicContact CB-CZ2 4.22Å; N201-W232 WeakPolarHBondContact ND2-CZ2 3.39Å; N201-W232 PolarHBondContact ND2-NE1 3.46Å; N201-W232 VanDerWaalsContact ND2-NE1 3.15Å; K204-W232 VanDerWaalsContact O-CZ2 3.24Å; K204-W232 WeakPolarHBondContact O-CZ2 3.25Å; K204-W232 PolarHBondContact O-NE1 3.16Å; L205-W232 VanDerWaalsContact O-CD1 3.22Å; L205-W232 PolarHBondContact O-NE1 2.9Å; P206-W232 HydrophobicContact CB-CD2 3.8Å; P206-W232 HydrophobicContact CB-CE3 3.96Å; P206-W232 HydrophobicContact CB-CG 4.38Å; P206-W232 HydrophobicContact CB-CH2 4.16Å; P206-W232 HydrophobicContact CB-CZ2 4.01Å; P206-W232 HydrophobicContact CB-CZ3 4.12Å; P206-W232 HydrophobicContact CG-CH2 4.28Å; P206-W232 HydrophobicContact CG-CZ2 4.13Å; K207-W232 WeakPolarHBondContact CG-O 3.47Å; F230-W232 HydrophobicContact CB-CH2 4.15Å; F230-W232 HydrophobicContact CB-CZ3 3.77Å; W232-D234 VanDerWaalsContact CB-OD1 3.26Å; W232-D234 WeakPolarHBondContact CB-OD1 3.37Å; W232-D234 PolarHBondContact O-N 2.86Å; W232-D234 VanDerWaalsContact O-N 3.12Å; W232-V236 HydrophobicContact CB-CB 4.34Å; W232-V236 HydrophobicContact CE3-CG1 4.29Å; W232-V236 PolarHBondContact N-O 3.25Å; W232-V236 VanDerWaalsContact N-O 3.16Å; W232-A238 HydrophobicContact CH2-CB 4.25Å; W232-A238 HydrophobicContact CZ3-CB 3.86Å | ||
| 233 | E | 95.3 | Very high | 98.3 | Very high | 124 Ų | 124 | 30 Ų | 30 | 58% | 0.579 | 17% | 0.166 | S | C | * | . | S | Bend | trans | 60 | 13.9 | -177.3 | -60.3 | 178 | 171.5 | 0 | 0 | 114.4 | K207 D231 | K207-E233 HydrophobicContact CB-CG 3.92Å; K207-E233 HydrophobicContact CG-CB 4.22Å; K207-E233 HydrophobicContact CG-CG 4.08Å; D231-E233 PolarHBondContact OD1-N 3.45Å |
| 234 | D | 95.6 | Very high | 98.3 | Very high | 93 Ų | 93 | 29.6 Ų | 29.6 | 50% | 0.497 | 16% | 0.163 | S | C | . | . | S | Bend | trans | -112.3 | 13.8 | 175 | 65.9 | 1 | 0 | 0 | 0 | 112.3 | W232 V236 | W232-D234 VanDerWaalsContact CB-OD1 3.26Å; W232-D234 WeakPolarHBondContact CB-OD1 3.37Å; W232-D234 PolarHBondContact O-N 2.86Å; W232-D234 VanDerWaalsContact O-N 3.12Å; D234-V236 VanDerWaalsContact C-N 3.35Å; D234-V236 VanDerWaalsContact OD1-CB 3.28Å; D234-V236 WeakPolarHBondContact OD1-CB 3.24Å; D234-V236 VanDerWaalsContact OD1-CG2 3.28Å; D234-V236 WeakPolarHBondContact OD1-CG2 3.4Å; D234-V236 PolarHBondContact OD1-N 3.21Å; D234-V236 VanDerWaalsContact OD1-N 3.08Å |
| 235 | G | 96 | Very high | 98.3 | Very high | 49 Ų | 49 | 32.6 Ų | 32.6 | 51% | 0.505 | 18% | 0.179 | S | C | . | . | S | Bend | trans | 84.7 | 5.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 236 | V | 98.3 | Very high | 98.3 | Very high | 8 Ų | 8 | 33.6 Ų | 33.6 | 5% | 0.048 | 19% | 0.188 | C | C | . | . | trans | -95.8 | 130.8 | 167.1 | -173.9 | 0 | 0 | 0 | 0 | 109.6 | I154 K155 W232 D234 | I154-V236 HydrophobicContact CG1-CG1 4.07Å; I154-V236 HydrophobicContact CG2-CG1 4.11Å; I154-V236 HydrophobicContact CG2-CG2 3.8Å; I154-V236 WeakPolarHBondContact O-CG2 3.44Å; K155-V236 WeakPolarHBondContact O-CA 3.43Å; W232-V236 HydrophobicContact CB-CB 4.34Å; W232-V236 HydrophobicContact CE3-CG1 4.29Å; W232-V236 PolarHBondContact N-O 3.25Å; W232-V236 VanDerWaalsContact N-O 3.16Å; D234-V236 VanDerWaalsContact C-N 3.35Å; D234-V236 VanDerWaalsContact OD1-CB 3.28Å; D234-V236 WeakPolarHBondContact OD1-CB 3.24Å; D234-V236 VanDerWaalsContact OD1-CG2 3.28Å; D234-V236 WeakPolarHBondContact OD1-CG2 3.4Å; D234-V236 PolarHBondContact OD1-N 3.21Å; D234-V236 VanDerWaalsContact OD1-N 3.08Å | ||
| 237 | N | 98.5 | Very high | 98.3 | Very high | 62 Ų | 62 | 39.3 Ų | 39.3 | 33% | 0.332 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 163.2 | 170.1 | 58.8 | 54.7 | 0 | 0 | 0 | 111.5 | K155 S156 V157 L229 F230 | K155-N237 PolarHBondContact O-N 2.87Å; S156-N237 VanDerWaalsContact CA-O 3.28Å; S156-N237 WeakPolarHBondContact CA-O 3.22Å; S156-N237 PolarHBondContact OG-OD1 2.88Å; V157-N237 PolarHBondContact N-O 2.83Å; V157-N237 VanDerWaalsContact N-O 3.09Å; L229-N237 HydrophobicContact CD1-CB 4.24Å; F230-N237 CarbonylContact O-C 3.55Å; F230-N237 VanDerWaalsContact O-CA 3.24Å; F230-N237 WeakPolarHBondContact O-CA 3.12Å |
| 238 | A | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 150.6 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112 | V157 I197 L229 F230 W232 | V157-A238 HydrophobicContact CB-CB 3.97Å; V157-A238 CarbonylContact O-C 3.54Å; V157-A238 WeakPolarHBondContact O-CA 3.38Å; V157-A238 WeakPolarHBondContact O-CB 3.31Å; I197-A238 HydrophobicContact CB-CB 3.77Å; I197-A238 HydrophobicContact CD1-CB 3.97Å; I197-A238 HydrophobicContact CG1-CB 4.45Å; I197-A238 HydrophobicContact CG2-CB 3.65Å; L229-A238 CarbonylContact C-O 3.55Å; L229-A238 WeakPolarHBondContact CA-O 3.49Å; F230-A238 HydrophobicContact CB-CB 4.31Å; F230-A238 PolarHBondContact N-O 2.87Å; F230-A238 PolarHBondContact O-N 3.17Å; W232-A238 HydrophobicContact CH2-CB 4.25Å; W232-A238 HydrophobicContact CZ3-CB 3.86Å |
| 239 | T | 98.9 | Very high | 98.3 | Very high | 41 Ų | 41 | 46.1 Ų | 46.1 | 25% | 0.252 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 137.9 | 172.5 | 44.6 | 0 | 0 | 0 | 0 | 110.3 | V157 Y158 S159 A228 L229 | V157-T239 PolarHBondContact O-N 3.05Å; Y158-T239 WeakPolarHBondContact CA-O 3.38Å; Y158-T239 WeakPolarHBondContact CD2-OG1 3.48Å; S159-T239 PolarHBondContact N-O 3.31Å; A228-T239 CarbonylContact O-C 3.59Å; A228-T239 VanDerWaalsContact O-CA 3.29Å; A228-T239 WeakPolarHBondContact O-CA 3.4Å; L229-T239 HydrophobicContact CD1-CG2 3.77Å |
| 240 | I | 98.9 | Very high | 98.2 | Very high | 2 Ų | 2 | 43.4 Ų | 43.4 | 1% | 0.01 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 155.7 | 172.7 | 77.9 | -179.5 | 0 | 0 | 0 | 112.2 | S159 T193 I194 I197 G227 A228 F230 V336 | S159-I240 CarbonylContact O-C 3.48Å; S159-I240 WeakPolarHBondContact O-CA 3.48Å; T193-I240 WeakPolarHBondContact OG1-CB 3.5Å; I194-I240 HydrophobicContact CD1-CD1 4.03Å; I194-I240 HydrophobicContact CG1-CD1 3.59Å; I197-I240 HydrophobicContact CD1-CG2 4.13Å; I197-I240 HydrophobicContact CG2-CG2 3.97Å; G227-I240 CarbonylContact C-O 3.55Å; G227-I240 WeakPolarHBondContact CA-O 3.24Å; A228-I240 HydrophobicContact CB-CD1 4.46Å; A228-I240 HydrophobicContact CB-CG1 4.18Å; A228-I240 PolarHBondContact N-O 3.09Å; A228-I240 VanDerWaalsContact N-O 3.11Å; A228-I240 PolarHBondContact O-N 3.1Å; F230-I240 HydrophobicContact CD2-CG2 4.34Å; F230-I240 HydrophobicContact CE2-CB 4.22Å; F230-I240 HydrophobicContact CE2-CD1 3.7Å; F230-I240 HydrophobicContact CE2-CG1 3.74Å; F230-I240 HydrophobicContact CE2-CG2 3.7Å; F230-I240 HydrophobicContact CZ-CD1 3.69Å; F230-I240 HydrophobicContact CZ-CG1 4.26Å; F230-I240 HydrophobicContact CZ-CG2 4.46Å; I240-V336 HydrophobicContact CD1-CG2 4.49Å |
| 241 | Y | 98.9 | Very high | 98.2 | Very high | 72 Ų | 72 | 45.2 Ų | 45.2 | 28% | 0.282 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 137.2 | 165.7 | 177.3 | -101 | 0 | 0 | 0 | 110.7 | S159 C160 F161 S225 C226 S243 | S159-Y241 PolarHBondContact O-N 3.43Å; S159-Y241 VanDerWaalsContact O-N 3.07Å; C160-Y241 CarbonylContact C-O 3.6Å; C160-Y241 WeakPolarHBondContact CA-O 3.28Å; C160-Y241 HydrophobicContact CB-CD1 4.23Å; C160-Y241 WeakPolarHBondContact CB-O 3.24Å; F161-Y241 PolarHBondContact N-O 3.29Å; S225-Y241 PolarHBondContact OG-OH 3.21Å; C226-Y241 WeakPolarHBondContact O-CD2 2.79Å; Y241-S243 VanDerWaalsContact OH-CB 3.26Å; Y241-S243 WeakPolarHBondContact OH-CB 3.12Å; Y241-S243 PolarHBondContact OH-OG 3.39Å |
| 242 | C | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 143 | 172.7 | 57.1 | 0 | 0 | 0 | 0 | 111.6 | F161 A189 S225 C226 | F161-C242 WeakPolarHBondContact O-CA 3.42Å; A189-C242 HydrophobicContact CB-CB 3.93Å; S225-C242 CarbonylContact C-O 2.89Å; S225-C242 VanDerWaalsContact CA-O 3.28Å; S225-C242 WeakPolarHBondContact CA-O 3.33Å; C226-C242 PolarHBondContact N-O 2.96Å; C226-C242 PolarHBondContact O-N 3.27Å |
| 243 | S | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.9 | 139 | -173.7 | -179.6 | 0 | 0 | 0 | 0 | 114.1 | F161 S162 F163 L224 S225 Y241 L245 | F161-S243 PolarHBondContact O-N 3.01Å; S162-S243 CarbonylContact C-O 3.57Å; S162-S243 WeakPolarHBondContact CA-O 3.28Å; S162-S243 WeakPolarHBondContact CB-O 3.46Å; F163-S243 PolarHBondContact N-O 3.24Å; L224-S243 CarbonylContact O-C 2.76Å; L224-S243 WeakPolarHBondContact O-CA 3.38Å; S225-S243 PolarHBondContact OG-OG 3.41Å; Y241-S243 VanDerWaalsContact OH-CB 3.26Å; Y241-S243 WeakPolarHBondContact OH-CB 3.12Å; Y241-S243 PolarHBondContact OH-OG 3.39Å; S243-L245 VanDerWaalsContact C-N 3.31Å; S243-L245 PolarHBondContact OG-N 2.92Å |
| 244 | F | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -88.4 | 4.2 | 165.7 | -63 | -26.1 | 0 | 0 | 0 | 113 | F163 A165 F169 L170 R175 G184 A185 D188 L224 | F163-F244 HydrophobicContact CD1-CD1 4.26Å; F163-F244 AromaticContact CE1-CD1 3.42Å; F163-F244 HydrophobicContact CE1-CD1 3.42Å; F163-F244 VanDerWaalsContact CE1-CD1 3.42Å; F163-F244 AromaticContact CE1-CE1 3.48Å; F163-F244 HydrophobicContact CE1-CE1 3.48Å; F163-F244 VanDerWaalsContact CE1-CE1 3.48Å; F163-F244 AromaticContact CE2-CD1 3.91Å; F163-F244 HydrophobicContact CE2-CD1 3.91Å; F163-F244 HydrophobicContact CE2-CE1 4.43Å; F163-F244 AromaticContact CZ-CD1 3.2Å; F163-F244 HydrophobicContact CZ-CD1 3.2Å; F163-F244 AromaticContact CZ-CE1 3.36Å; F163-F244 HydrophobicContact CZ-CE1 3.36Å; F163-F244 HydrophobicContact CZ-CG 4.16Å; F163-F244 HydrophobicContact CZ-CZ 4.4Å; F163-F244 CarbonylContact O-C 3.52Å; F163-F244 WeakPolarHBondContact O-CA 3.45Å; A165-F244 HydrophobicContact CB-CB 4.08Å; A165-F244 VanDerWaalsContact CB-O 3.23Å; A165-F244 WeakPolarHBondContact CB-O 3.09Å; A165-F244 PolarHBondContact N-O 3.29Å; F169-F244 HydrophobicContact CE1-CD1 4.47Å; F169-F244 AromaticContact CE1-CD2 3.85Å; F169-F244 HydrophobicContact CE1-CD2 3.85Å; F169-F244 HydrophobicContact CE1-CE2 4.05Å; F169-F244 HydrophobicContact CE1-CG 4.07Å; F169-F244 HydrophobicContact CE1-CZ 4.44Å; F169-F244 HydrophobicContact CZ-CD2 4.44Å; F169-F244 HydrophobicContact CZ-CE1 4.39Å; F169-F244 HydrophobicContact CZ-CE2 4.28Å; F169-F244 HydrophobicContact CZ-CZ 4.24Å; L170-F244 HydrophobicContact CD2-CB 4.29Å; R175-F244 HydrophobicContact CB-CE2 4.01Å; R175-F244 HydrophobicContact CB-CZ 3.96Å; R175-F244 HydrophobicContact CG-CZ 4.5Å; G184-F244 VanDerWaalsContact C-CZ 3.48Å; A185-F244 HydrophobicContact CB-CD1 3.89Å; A185-F244 HydrophobicContact CB-CD2 4Å; A185-F244 HydrophobicContact CB-CE1 3.89Å; A185-F244 HydrophobicContact CB-CE2 4.01Å; A185-F244 HydrophobicContact CB-CG 3.95Å; A185-F244 HydrophobicContact CB-CZ 3.96Å; A185-F244 VanDerWaalsContact N-CE2 3.27Å; A185-F244 VanDerWaalsContact N-CZ 3.31Å; D188-F244 HydrophobicContact CB-CE1 4.11Å; D188-F244 HydrophobicContact CB-CZ 3.91Å; L224-F244 HydrophobicContact CD2-CD2 4.22Å; L224-F244 PolarHBondContact O-N 3.44Å |
| 245 | L | 98.7 | Very high | 98.6 | Very high | 82 Ų | 82 | 36.8 Ų | 36.8 | 43% | 0.429 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 4 | -168.3 | -52.5 | 178.4 | 0 | 0 | 0 | 113.4 | F163 L170 V216 L224 S243 | F163-L245 PolarHBondContact O-N 2.95Å; L170-L245 HydrophobicContact CD1-CD2 3.94Å; L170-L245 HydrophobicContact CD2-CD2 4.04Å; V216-L245 HydrophobicContact CB-CD1 4.29Å; V216-L245 HydrophobicContact CG1-CD1 3.95Å; L224-L245 HydrophobicContact CB-CD1 4.09Å; L224-L245 HydrophobicContact CB-CG 4.33Å; S243-L245 VanDerWaalsContact C-N 3.31Å; S243-L245 PolarHBondContact OG-N 2.92Å |
| 246 | A | 98.6 | Very high | 98.7 | Very high | 29 Ų | 29 | 34.9 Ų | 34.9 | 24% | 0.24 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 153.3 | -175.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | F163 A164 | F163-A246 CarbonylContact C-O 3.55Å; F163-A246 WeakPolarHBondContact CA-O 3.45Å; F163-A246 PolarHBondContact N-O 3.43Å; A164-A246 PolarHBondContact N-O 2.83Å |
| 247 | N | 98.6 | Very high | 98.7 | Very high | 122 Ų | 122 | 38.4 Ų | 38.4 | 65% | 0.652 | 21% | 0.211 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -50.3 | 154.4 | -175.5 | -172.3 | 64 | 0 | 0 | 0 | 112.9 | S162 T249 | S162-N247 PolarHBondContact OG-O 3.04Å; N247-T249 PolarHBondContact O-N 3.43Å; N247-T249 PolarHBondContact O-OG1 3.34Å |
| 248 | L | 98.7 | Very high | 98.7 | Very high | 99 Ų | 99 | 41 Ų | 41 | 52% | 0.518 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -53.1 | 117.5 | 175.8 | -177.5 | 61.9 | 0 | 0 | 0 | 110.2 | F161 S162 F163 M250 | F161-L248 HydrophobicContact CE2-CD1 4.02Å; S162-L248 VanDerWaalsContact O-CA 3.23Å; S162-L248 WeakPolarHBondContact O-CA 3.38Å; F163-L248 HydrophobicContact CB-CD1 4.14Å; L248-M250 HydrophobicContact CD1-CG 4.2Å; L248-M250 HydrophobicContact CD1-SD 4.17Å |
| 249 | T | 98.8 | Very high | 98.6 | Very high | 50 Ų | 50 | 41.3 Ų | 41.3 | 31% | 0.307 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 131.9 | -179.4 | -60.1 | 0 | 0 | 0 | 0 | 107.9 | F161 S162 N247 E251 | F161-T249 CarbonylContact C-O 3.59Å; F161-T249 VanDerWaalsContact CA-O 3.23Å; F161-T249 WeakPolarHBondContact CA-O 3.38Å; F161-T249 WeakPolarHBondContact CD2-O 3.31Å; S162-T249 PolarHBondContact N-O 3.4Å; S162-T249 PolarHBondContact O-N 3.42Å; N247-T249 PolarHBondContact O-N 3.43Å; N247-T249 PolarHBondContact O-OG1 3.34Å; T249-E251 HydrophobicContact CG2-CG 3.73Å |
| 250 | M | 98.5 | Very high | 98.6 | Very high | 9 Ų | 9 | 40.3 Ų | 40.3 | 4% | 0.044 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 80.5 | -171.6 | -58.8 | 179.7 | -62.3 | 0 | 0 | 109.9 | C160 F161 L248 H264 D265 F266 V267 I268 | C160-M250 CarbonylContact O-C 3.49Å; C160-M250 WeakPolarHBondContact O-CA 3.28Å; F161-M250 HydrophobicContact CD2-CG 3.58Å; F161-M250 HydrophobicContact CD2-SD 4.45Å; F161-M250 HydrophobicContact CE2-CG 3.81Å; F161-M250 HydrophobicContact CE2-SD 4.13Å; F161-M250 HydrophobicContact CG-CG 4.41Å; L248-M250 HydrophobicContact CD1-CG 4.2Å; L248-M250 HydrophobicContact CD1-SD 4.17Å; M250-H264 CarbonylContact O-C 3.59Å; M250-D265 HydrophobicContact CE-CB 4.28Å; M250-D265 PolarHBondContact O-N 3.47Å; M250-F266 HydrophobicContact CB-CD1 4.27Å; M250-F266 HydrophobicContact CB-CE1 4.5Å; M250-F266 WeakPolarHBondContact O-CD1 3.41Å; M250-F266 PolarHBondContact O-N 2.84Å; M250-V267 HydrophobicContact CB-CG2 4.41Å; M250-V267 HydrophobicContact CG-CB 4.49Å; M250-V267 HydrophobicContact SD-CB 3.87Å; M250-I268 HydrophobicContact CE-CB 4.09Å; M250-I268 WeakPolarHBondContact CE-O 3.11Å; M250-I268 HydrophobicContact SD-CB 4.12Å; M250-I268 HydrophobicContact SD-CG1 4.3Å |
| 251 | E | 98.6 | Very high | 98.6 | Very high | 38 Ų | 38 | 40.2 Ų | 40.2 | 18% | 0.178 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 144.1 | -166.8 | -68.1 | -73.1 | 164.8 | 0 | 0 | 113.6 | S159 C160 T249 V263 H264 F266 | S159-E251 WeakPolarHBondContact CA-O 3.31Å; S159-E251 WeakPolarHBondContact CB-O 3.42Å; S159-E251 PolarHBondContact OG-O 3.11Å; C160-E251 PolarHBondContact N-O 3.14Å; C160-E251 VanDerWaalsContact N-O 3.08Å; C160-E251 PolarHBondContact O-N 3.47Å; T249-E251 HydrophobicContact CG2-CG 3.73Å; E251-V263 CarbonylContact C-O 3.56Å; E251-V263 VanDerWaalsContact CA-O 3.32Å; E251-V263 WeakPolarHBondContact CA-O 3.5Å; E251-H264 IonicContact OE1-CE1 3.78Å; E251-H264 IonicContact OE1-CG 3.51Å; E251-H264 IonicContact OE1-ND1 3.92Å; E251-H264 PolarHBondContact OE1-ND1 2.91Å; E251-H264 IonicContact OE2-CE1 3.48Å; E251-H264 PolarHBondContact OE2-CE1 3.26Å; E251-H264 IonicContact OE2-CG 3.76Å; E251-H264 IonicContact OE2-ND1 2.68Å; E251-H264 PolarHBondContact OE2-ND1 3.35Å; E251-F266 WeakPolarHBondContact O-CE1 3.49Å |
| 252 | I | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 128.1 | 155.7 | -56 | 176.1 | 0 | 0 | 0 | 107.3 | W132 V157 A196 V200 R262 V263 F266 | W132-I252 HydrophobicContact CH2-CD1 4.46Å; W132-I252 HydrophobicContact CZ3-CD1 4.3Å; V157-I252 HydrophobicContact CG1-CG2 4.49Å; A196-I252 HydrophobicContact CB-CD1 3.62Å; A196-I252 HydrophobicContact CB-CG1 3.8Å; V200-I252 HydrophobicContact CG2-CG2 4.25Å; I252-R262 CarbonylContact O-C 3.44Å; I252-R262 VanDerWaalsContact O-CA 3.28Å; I252-R262 WeakPolarHBondContact O-CA 3.47Å; I252-V263 HydrophobicContact CB-CB 4.25Å; I252-V263 HydrophobicContact CB-CG2 4.34Å; I252-V263 PolarHBondContact N-O 3.18Å; I252-V263 PolarHBondContact O-N 3.26Å; I252-F266 HydrophobicContact CD1-CB 3.63Å; I252-F266 HydrophobicContact CD1-CD1 4.14Å; I252-F266 HydrophobicContact CD1-CD2 3.62Å; I252-F266 HydrophobicContact CD1-CE2 4.25Å; I252-F266 HydrophobicContact CD1-CG 3.54Å; I252-F266 HydrophobicContact CG1-CB 3.89Å; I252-F266 HydrophobicContact CG1-CD1 3.64Å; I252-F266 HydrophobicContact CG1-CD2 4.02Å; I252-F266 HydrophobicContact CG1-CE1 4.1Å; I252-F266 HydrophobicContact CG1-CE2 4.42Å; I252-F266 HydrophobicContact CG1-CG 3.59Å; I252-F266 HydrophobicContact CG1-CZ 4.46Å |
| 253 | T | 98.8 | Very high | 98.6 | Very high | 26 Ų | 26 | 43 Ų | 43 | 16% | 0.16 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 120.1 | 164.5 | -66.3 | 0 | 0 | 0 | 0 | 108.7 | V157 Y158 I255 L261 R262 | V157-T253 CarbonylContact C-O 3.59Å; V157-T253 WeakPolarHBondContact CA-O 3.5Å; Y158-T253 PolarHBondContact N-O 3.25Å; Y158-T253 PolarHBondContact O-N 2.99Å; T253-I255 HydrophobicContact CG2-CG1 4.42Å; T253-L261 CarbonylContact C-O 3.57Å; T253-L261 WeakPolarHBondContact CA-O 3.21Å; T253-R262 HydrophobicContact CG2-CG 4.35Å |
| 254 | A | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 136.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | F151 I154 V157 V200 S260 L261 | F151-A254 HydrophobicContact CE2-CB 4.23Å; F151-A254 HydrophobicContact CZ-CB 3.95Å; I154-A254 HydrophobicContact CD1-CB 4.25Å; V157-A254 HydrophobicContact CG1-CB 4.44Å; V157-A254 HydrophobicContact CG2-CB 4.46Å; V200-A254 HydrophobicContact CG1-CB 3.55Å; V200-A254 HydrophobicContact CG2-CB 4.38Å; A254-S260 CarbonylContact O-C 3.26Å; A254-S260 WeakPolarHBondContact O-CA 3.42Å; A254-S260 WeakPolarHBondContact O-CB 3.48Å; A254-L261 HydrophobicContact CB-CB 4.21Å; A254-L261 PolarHBondContact N-O 2.96Å; A254-L261 PolarHBondContact O-N 2.59Å |
| 255 | I | 98.6 | Very high | 98.5 | Very high | 83 Ų | 83 | 46.8 Ų | 46.8 | 43% | 0.426 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 116.1 | -176.4 | -55.6 | 173.4 | 0 | 0 | 0 | 108.4 | K155 S156 T253 | K155-I255 WeakPolarHBondContact CB-O 3.45Å; K155-I255 PolarHBondContact N-O 3.38Å; S156-I255 PolarHBondContact N-O 2.78Å; S156-I255 PolarHBondContact O-N 2.83Å; T253-I255 HydrophobicContact CG2-CG1 4.42Å |
| 256 | G | 98.4 | Very high | 98.5 | Very high | 9 Ų | 9 | 43 Ų | 43 | 9% | 0.093 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 177.1 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | F151 Q153 K258 G259 | F151-G256 CarbonylContact O-C 3.25Å; F151-G256 WeakPolarHBondContact O-CA 3.39Å; Q153-G256 CarbonylContact O-C 2.95Å; Q153-G256 WeakPolarHBondContact O-CA 3.47Å; G256-K258 PolarHBondContact O-N 2.73Å; G256-G259 WeakPolarHBondContact CA-O 3.23Å; G256-G259 PolarHBondContact N-O 2.69Å |
| 257 | T | 97.8 | Very high | 98.5 | Very high | 82 Ų | 82 | 41.9 Ų | 41.9 | 50% | 0.503 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -69.7 | -17.7 | 179.4 | 51.6 | 0 | 0 | 0 | 0 | 114.4 | F151 Q153 K155 | F151-T257 PolarHBondContact O-N 2.82Å; Q153-T257 HydrophobicContact CB-CG2 4.09Å; Q153-T257 PolarHBondContact N-OG1 3.47Å; Q153-T257 PolarHBondContact O-N 2.61Å; K155-T257 HydrophobicContact CD-CG2 4.36Å; K155-T257 VanDerWaalsContact CE-CG2 3.43Å; K155-T257 HydrophobicContact CG-CG2 4.09Å |
| 258 | K | 98.1 | Very high | 98.4 | Very high | 117 Ų | 117 | 40.3 Ų | 40.3 | 51% | 0.509 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -123.7 | -25 | -177.1 | -63.1 | -177.9 | -177.8 | 170.9 | 0 | 113.7 | L148 E149 F151 G256 G281 | L148-K258 WeakPolarHBondContact O-CD 3.26Å; L148-K258 WeakPolarHBondContact O-CE 3.38Å; L148-K258 PolarHBondContact O-NZ 3.38Å; E149-K258 WeakPolarHBondContact O-CD 3.47Å; F151-K258 PolarHBondContact O-N 3.42Å; G256-K258 PolarHBondContact O-N 2.73Å; K258-G281 WeakPolarHBondContact O-CA 3.31Å |
| 259 | G | 98.4 | Very high | 98.4 | Very high | 6 Ų | 6 | 36.6 Ų | 36.6 | 6% | 0.062 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 175 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114 | S150 F151 G256 S280 | S150-G259 PolarHBondContact O-N 3.3Å; F151-G259 PolarHBondContact O-N 3.32Å; G256-G259 WeakPolarHBondContact CA-O 3.23Å; G256-G259 PolarHBondContact N-O 2.69Å; G259-S280 CarbonylContact C-O 3.58Å; G259-S280 WeakPolarHBondContact CA-O 3.31Å |
| 260 | S | 98.6 | Very high | 98.2 | Very high | 21 Ų | 21 | 42.4 Ų | 42.4 | 15% | 0.147 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 154.9 | 174.8 | 75.6 | 0 | 0 | 0 | 0 | 111.6 | A254 T279 S280 | A254-S260 CarbonylContact O-C 3.26Å; A254-S260 WeakPolarHBondContact O-CA 3.42Å; A254-S260 WeakPolarHBondContact O-CB 3.48Å; S260-T279 CarbonylContact O-C 3.57Å; S260-T279 VanDerWaalsContact O-CA 3.23Å; S260-T279 WeakPolarHBondContact O-CA 3.37Å; S260-S280 PolarHBondContact N-O 3.21Å; S260-S280 PolarHBondContact O-N 3.26Å; S260-S280 PolarHBondContact OG-OG 2.95Å |
| 261 | L | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 140.5 | 176.3 | 170.4 | 70.1 | 0 | 0 | 0 | 108.9 | I141 F144 V145 T253 A254 V263 F277 T278 T279 | I141-L261 HydrophobicContact CB-CD2 4.38Å; I141-L261 HydrophobicContact CG1-CD1 4.31Å; I141-L261 HydrophobicContact CG1-CD2 4.25Å; I141-L261 HydrophobicContact CG2-CD2 3.54Å; F144-L261 HydrophobicContact CD1-CB 4.09Å; F144-L261 HydrophobicContact CD1-CD1 4.35Å; F144-L261 HydrophobicContact CE1-CB 3.95Å; V145-L261 HydrophobicContact CG1-CD2 3.71Å; T253-L261 CarbonylContact C-O 3.57Å; T253-L261 WeakPolarHBondContact CA-O 3.21Å; A254-L261 HydrophobicContact CB-CB 4.21Å; A254-L261 PolarHBondContact N-O 2.96Å; A254-L261 PolarHBondContact O-N 2.59Å; L261-V263 HydrophobicContact CD1-CG2 4.08Å; L261-V263 HydrophobicContact CD2-CG2 4.4Å; L261-V263 HydrophobicContact CG-CG2 4.16Å; L261-F277 HydrophobicContact CD1-CB 4.17Å; L261-F277 HydrophobicContact CD1-CD2 3.54Å; L261-F277 HydrophobicContact CD1-CE2 4.36Å; L261-F277 HydrophobicContact CD1-CG 4.25Å; L261-T278 CarbonylContact C-O 3.52Å; L261-T278 WeakPolarHBondContact CA-O 3.48Å; L261-T279 HydrophobicContact CD1-CG2 4.34Å |
| 262 | R | 98.7 | Very high | 97.7 | Very high | 130 Ų | 130 | 48.8 Ų | 48.8 | 49% | 0.491 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 136.8 | 169.4 | -63.3 | -173.5 | -179 | -151.3 | -2.3 | 111.4 | I252 T253 T278 | I252-R262 CarbonylContact O-C 3.44Å; I252-R262 VanDerWaalsContact O-CA 3.28Å; I252-R262 WeakPolarHBondContact O-CA 3.47Å; T253-R262 HydrophobicContact CG2-CG 4.35Å; R262-T278 PolarHBondContact N-O 2.9Å; R262-T278 PolarHBondContact O-N 3.14Å |
| 263 | V | 98.7 | Very high | 97.5 | Very high | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.006 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 118 | 177.1 | -165.1 | 0 | 0 | 0 | 0 | 108.1 | I141 E251 I252 L261 F266 F277 | I141-V263 HydrophobicContact CD1-CG1 4.5Å; I141-V263 HydrophobicContact CD1-CG2 3.69Å; I141-V263 HydrophobicContact CG1-CG2 4.31Å; E251-V263 CarbonylContact C-O 3.56Å; E251-V263 VanDerWaalsContact CA-O 3.32Å; E251-V263 WeakPolarHBondContact CA-O 3.5Å; I252-V263 HydrophobicContact CB-CB 4.25Å; I252-V263 HydrophobicContact CB-CG2 4.34Å; I252-V263 PolarHBondContact N-O 3.18Å; I252-V263 PolarHBondContact O-N 3.26Å; L261-V263 HydrophobicContact CD1-CG2 4.08Å; L261-V263 HydrophobicContact CD2-CG2 4.4Å; L261-V263 HydrophobicContact CG-CG2 4.16Å; V263-F266 HydrophobicContact CB-CB 4.16Å; V263-F266 HydrophobicContact CG1-CB 3.73Å; V263-F277 HydrophobicContact CG2-CB 3.89Å |
| 264 | H | 98.4 | Very high | 97.3 | Very high | 73 Ų | 73 | 53 Ų | 53 | 34% | 0.338 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -95.7 | -8.2 | -170 | -61.1 | -59.2 | 0 | 0 | 0 | 114.2 | M250 E251 Y270 | M250-H264 CarbonylContact O-C 3.59Å; E251-H264 IonicContact OE1-CE1 3.78Å; E251-H264 IonicContact OE1-CG 3.51Å; E251-H264 IonicContact OE1-ND1 3.92Å; E251-H264 PolarHBondContact OE1-ND1 2.91Å; E251-H264 IonicContact OE2-CE1 3.48Å; E251-H264 PolarHBondContact OE2-CE1 3.26Å; E251-H264 IonicContact OE2-CG 3.76Å; E251-H264 IonicContact OE2-ND1 2.68Å; E251-H264 PolarHBondContact OE2-ND1 3.35Å; H264-Y270 PolarHBondContact O-OH 3.4Å |
| 265 | D | 98.1 | Very high | 97.3 | Very high | 6 Ų | 6 | 53.1 Ų | 53.1 | 3% | 0.032 | 26% | 0.26 | C | S | . | . | B | Isolated β-bridge | trans | -143.2 | 39.7 | -172.9 | 64.7 | -18.4 | 0 | 0 | 0 | 110.8 | R137 M250 V267 I268 P269 Y270 | R137-D265 IonicContact CZ-OD1 3.57Å; R137-D265 IonicContact NH1-OD1 3.59Å; R137-D265 PolarHBondContact NH1-OD1 2.55Å; R137-D265 IonicContact NH1-OD2 2.84Å; R137-D265 PolarHBondContact NH2-O 2.82Å; R137-D265 IonicContact NH2-OD1 3.51Å; M250-D265 HydrophobicContact CE-CB 4.28Å; M250-D265 PolarHBondContact O-N 3.47Å; D265-V267 VanDerWaalsContact C-N 3.35Å; D265-V267 PolarHBondContact O-N 3.06Å; D265-I268 CarbonylContact O-C 3.45Å; D265-I268 VanDerWaalsContact O-C 3.25Å; D265-P269 VanDerWaalsContact OD2-CA 3.29Å; D265-P269 WeakPolarHBondContact OD2-CA 3.32Å; D265-Y270 HydrophobicContact CB-CD1 4.06Å; D265-Y270 HydrophobicContact CB-CD2 3.87Å; D265-Y270 HydrophobicContact CB-CE1 3.94Å; D265-Y270 HydrophobicContact CB-CE2 3.74Å; D265-Y270 HydrophobicContact CB-CG 4.03Å; D265-Y270 WeakPolarHBondContact OD2-CD2 3.41Å; D265-Y270 PolarHBondContact OD2-N 2.99Å |
| 266 | F | 98.2 | Very high | 97.2 | Very high | 1 Ų | 1 | 50.8 Ų | 50.8 | 0% | 0.004 | 25% | 0.25 | C | C | . | . | S | Bend | trans | -65 | -35.9 | -166.6 | 84.9 | -87.6 | 0 | 0 | 0 | 113.4 | W132 R137 A196 M250 E251 I252 V263 | W132-F266 VanDerWaalsContact CB-O 3.23Å; W132-F266 WeakPolarHBondContact CB-O 3.24Å; W132-F266 AromaticContact CD2-CD2 3.8Å; W132-F266 HydrophobicContact CD2-CD2 3.8Å; W132-F266 HydrophobicContact CD2-CE2 4.21Å; W132-F266 AromaticContact CE2-CD2 3.98Å; W132-F266 AromaticContact CE2-CE2 3.92Å; W132-F266 AromaticContact CE3-CD2 3.93Å; W132-F266 HydrophobicContact CE3-CD2 3.93Å; W132-F266 HydrophobicContact CG-CD2 4.28Å; W132-F266 HydrophobicContact CH2-CD2 4.4Å; W132-F266 HydrophobicContact CZ2-CD2 4.27Å; W132-F266 HydrophobicContact CZ2-CE2 4.11Å; W132-F266 HydrophobicContact CZ3-CD2 4.23Å; R137-F266 PolarHBondContact NH2-O 2.72Å; A196-F266 HydrophobicContact CB-CE2 4.07Å; A196-F266 HydrophobicContact CB-CZ 4.32Å; M250-F266 HydrophobicContact CB-CD1 4.27Å; M250-F266 HydrophobicContact CB-CE1 4.5Å; M250-F266 WeakPolarHBondContact O-CD1 3.41Å; M250-F266 PolarHBondContact O-N 2.84Å; E251-F266 WeakPolarHBondContact O-CE1 3.49Å; I252-F266 HydrophobicContact CD1-CB 3.63Å; I252-F266 HydrophobicContact CD1-CD1 4.14Å; I252-F266 HydrophobicContact CD1-CD2 3.62Å; I252-F266 HydrophobicContact CD1-CE2 4.25Å; I252-F266 HydrophobicContact CD1-CG 3.54Å; I252-F266 HydrophobicContact CG1-CB 3.89Å; I252-F266 HydrophobicContact CG1-CD1 3.64Å; I252-F266 HydrophobicContact CG1-CD2 4.02Å; I252-F266 HydrophobicContact CG1-CE1 4.1Å; I252-F266 HydrophobicContact CG1-CE2 4.42Å; I252-F266 HydrophobicContact CG1-CG 3.59Å; I252-F266 HydrophobicContact CG1-CZ 4.46Å; V263-F266 HydrophobicContact CB-CB 4.16Å; V263-F266 HydrophobicContact CG1-CB 3.73Å |
| 267 | V | 98.2 | Very high | 97.2 | Very high | 6 Ų | 6 | 50.8 Ų | 50.8 | 4% | 0.036 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -75.7 | -49.2 | -178.7 | -175 | 0 | 0 | 0 | 0 | 111.5 | F161 Y192 M250 D265 Q296 | F161-V267 HydrophobicContact CD1-CG2 4.13Å; F161-V267 HydrophobicContact CE1-CG1 4.3Å; F161-V267 HydrophobicContact CG-CG2 4.36Å; Y192-V267 HydrophobicContact CD1-CB 4.43Å; Y192-V267 HydrophobicContact CD1-CG1 3.68Å; Y192-V267 HydrophobicContact CD1-CG2 4.02Å; Y192-V267 HydrophobicContact CD2-CG1 4.17Å; Y192-V267 HydrophobicContact CD2-CG2 4.44Å; Y192-V267 HydrophobicContact CE1-CG1 3.56Å; Y192-V267 HydrophobicContact CE2-CG1 4.03Å; Y192-V267 HydrophobicContact CG-CG1 3.98Å; Y192-V267 HydrophobicContact CG-CG2 3.85Å; M250-V267 HydrophobicContact CB-CG2 4.41Å; M250-V267 HydrophobicContact CG-CB 4.49Å; M250-V267 HydrophobicContact SD-CB 3.87Å; D265-V267 VanDerWaalsContact C-N 3.35Å; D265-V267 PolarHBondContact O-N 3.06Å; V267-Q296 PolarHBondContact O-NE2 3.12Å |
| 268 | I | 97.3 | Very high | 97.2 | Very high | 89 Ų | 89 | 48.2 Ų | 48.2 | 46% | 0.456 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -129.7 | 105.9 | 179.5 | -54.6 | 178 | 0 | 0 | 0 | 106.8 | M250 D265 | M250-I268 HydrophobicContact CE-CB 4.09Å; M250-I268 WeakPolarHBondContact CE-O 3.11Å; M250-I268 HydrophobicContact SD-CB 4.12Å; M250-I268 HydrophobicContact SD-CG1 4.3Å; D265-I268 CarbonylContact O-C 3.45Å; D265-I268 VanDerWaalsContact O-C 3.25Å |
| 269 | P | 96.9 | Very high | 97.3 | Very high | 22 Ų | 22 | 43.2 Ų | 43.2 | 14% | 0.143 | 21% | 0.21 | C | C | . | . | trans | -54.9 | 144.9 | 174.4 | -24.5 | 33 | 0 | 0 | 0 | 111.6 | D265 M271 A275 | D265-P269 VanDerWaalsContact OD2-CA 3.29Å; D265-P269 WeakPolarHBondContact OD2-CA 3.32Å; P269-M271 VanDerWaalsContact CB-O 3.3Å; P269-M271 WeakPolarHBondContact CB-O 3.3Å; P269-M271 PolarHBondContact O-N 2.88Å; P269-A275 HydrophobicContact CB-CB 4.42Å; P269-A275 HydrophobicContact CG-CB 4.46Å | ||
| 270 | Y | 95.9 | Very high | 97.2 | Very high | 172 Ų | 172 | 44.7 Ų | 44.7 | 68% | 0.675 | 22% | 0.22 | S | C | * | . | S | Bend | trans | -59.9 | -31.1 | 176.6 | -65.7 | -49 | 0 | 0 | 0 | 112.7 | H264 D265 | H264-Y270 PolarHBondContact O-OH 3.4Å; D265-Y270 HydrophobicContact CB-CD1 4.06Å; D265-Y270 HydrophobicContact CB-CD2 3.87Å; D265-Y270 HydrophobicContact CB-CE1 3.94Å; D265-Y270 HydrophobicContact CB-CE2 3.74Å; D265-Y270 HydrophobicContact CB-CG 4.03Å; D265-Y270 WeakPolarHBondContact OD2-CD2 3.41Å; D265-Y270 PolarHBondContact OD2-N 2.99Å |
| 271 | M | 94.6 | Very high | 97 | Very high | 95 Ų | 95 | 45.1 Ų | 45.1 | 47% | 0.468 | 23% | 0.228 | S | C | . | . | B | Isolated β-bridge | trans | -129.3 | 141.6 | 172.9 | -69.8 | -163.2 | -88.2 | 0 | 0 | 110.2 | P269 T273 E274 | P269-M271 VanDerWaalsContact CB-O 3.3Å; P269-M271 WeakPolarHBondContact CB-O 3.3Å; P269-M271 PolarHBondContact O-N 2.88Å; M271-T273 VanDerWaalsContact C-N 3.27Å; M271-T273 PolarHBondContact O-N 3.38Å; M271-E274 HydrophobicContact CB-CG 3.9Å; M271-E274 HydrophobicContact CE-CG 3.74Å; M271-E274 WeakPolarHBondContact CE-OE1 3.33Å; M271-E274 HydrophobicContact SD-CG 4.48Å |
| 272 | E | 91.4 | Very high | 96.5 | Very high | 86 Ų | 86 | 49.2 Ų | 49.2 | 40% | 0.402 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -23.1 | 179.9 | -167.5 | -179.1 | 168.6 | 0 | 0 | 112.8 | R23 T292 S295 | R23-E272 IonicContact CZ-OE1 2.63Å; R23-E272 IonicContact CZ-OE2 3.57Å; R23-E272 IonicContact NH1-OE1 3.52Å; R23-E272 PolarHBondContact NH1-OE1 3.35Å; R23-E272 IonicContact NH1-OE2 2.78Å; R23-E272 IonicContact NH2-OE1 3.5Å; R23-E272 PolarHBondContact NH2-OE1 3.4Å; R23-E272 IonicContact NH2-OE2 3.6Å; R23-E272 PolarHBondContact NH2-OE2 2.89Å; E272-T292 PolarHBondContact O-OG1 3.17Å; E272-S295 WeakPolarHBondContact OE1-CB 3.08Å |
| 273 | T | 94.6 | Very high | 96 | Very high | 82 Ų | 82 | 47.1 Ų | 47.1 | 50% | 0.503 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | -11 | -176.7 | 53.9 | 0 | 0 | 0 | 0 | 113.8 | M271 M291 T292 | M271-T273 VanDerWaalsContact C-N 3.27Å; M271-T273 PolarHBondContact O-N 3.38Å; T273-M291 WeakPolarHBondContact O-CE 3.35Å; T273-T292 WeakPolarHBondContact CA-OG1 3.44Å; T273-T292 PolarHBondContact O-N 2.95Å; T273-T292 PolarHBondContact O-OG1 3.28Å |
| 274 | E | 95.5 | Very high | 95.7 | Very high | 33 Ų | 33 | 51.1 Ų | 51.1 | 15% | 0.154 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 144.4 | 176.5 | 61.4 | 175.2 | -128.9 | 0 | 0 | 111.6 | M271 K289 V290 M291 T292 | M271-E274 HydrophobicContact CB-CG 3.9Å; M271-E274 HydrophobicContact CE-CG 3.74Å; M271-E274 WeakPolarHBondContact CE-OE1 3.33Å; M271-E274 HydrophobicContact SD-CG 4.48Å; E274-K289 HydrophobicContact CB-CD 4.38Å; E274-K289 HydrophobicContact CB-CG 4.15Å; E274-K289 VanDerWaalsContact OE1-CE 3.29Å; E274-K289 WeakPolarHBondContact OE1-CE 3.37Å; E274-K289 IonicContact OE1-NZ 3.33Å; E274-K289 PolarHBondContact OE1-NZ 2.83Å; E274-K289 WeakPolarHBondContact OE2-CD 3.23Å; E274-K289 WeakPolarHBondContact OE2-CE 3.43Å; E274-K289 IonicContact OE2-NZ 2.7Å; E274-K289 PolarHBondContact OE2-NZ 2.8Å; E274-V290 CarbonylContact C-O 3.55Å; E274-V290 WeakPolarHBondContact CA-O 3.31Å; E274-M291 HydrophobicContact CB-CE 4.27Å; E274-M291 HydrophobicContact CB-SD 3.96Å; E274-T292 PolarHBondContact N-OG1 2.95Å |
| 275 | A | 97.2 | Very high | 95.6 | Very high | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.008 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 126.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | R137 P269 V290 | R137-A275 HydrophobicContact CB-CB 3.68Å; R137-A275 HydrophobicContact CG-CB 4.25Å; P269-A275 HydrophobicContact CB-CB 4.42Å; P269-A275 HydrophobicContact CG-CB 4.46Å; A275-V290 PolarHBondContact N-O 3.32Å; A275-V290 PolarHBondContact O-N 2.61Å |
| 276 | V | 97.2 | Very high | 95.5 | Very high | 35 Ų | 35 | 55.2 Ų | 55.2 | 21% | 0.212 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 145.8 | -173.3 | -179.4 | 0 | 0 | 0 | 0 | 110.7 | R137 E287 H288 K289 | R137-V276 VanDerWaalsContact CD-O 3.32Å; R137-V276 WeakPolarHBondContact CD-O 3.18Å; R137-V276 PolarHBondContact NH1-O 3.44Å; V276-E287 HydrophobicContact CG1-CG 3.48Å; V276-E287 VanDerWaalsContact CG1-CG 3.48Å; V276-H288 WeakPolarHBondContact CA-O 3.39Å; V276-K289 HydrophobicContact CG2-CB 4.39Å; V276-K289 HydrophobicContact CG2-CG 4.31Å |
| 277 | F | 98.4 | Very high | 95.5 | Very high | 9 Ų | 9 | 61.9 Ų | 61.9 | 4% | 0.039 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 154.2 | 164.2 | 66.2 | -79.7 | 0 | 0 | 0 | 110.4 | R137 K140 I141 L261 V263 T279 H288 V290 | R137-F277 HydrophobicContact CG-CD1 3.83Å; R137-F277 HydrophobicContact CG-CE1 4.47Å; K140-F277 HydrophobicContact CB-CE1 3.77Å; K140-F277 HydrophobicContact CB-CZ 3.79Å; I141-F277 HydrophobicContact CG1-CG 4.33Å; L261-F277 HydrophobicContact CD1-CB 4.17Å; L261-F277 HydrophobicContact CD1-CD2 3.54Å; L261-F277 HydrophobicContact CD1-CE2 4.36Å; L261-F277 HydrophobicContact CD1-CG 4.25Å; V263-F277 HydrophobicContact CG2-CB 3.89Å; F277-T279 HydrophobicContact CD2-CG2 3.87Å; F277-T279 HydrophobicContact CE2-CG2 3.71Å; F277-H288 HydrophobicContact CD1-CB 3.86Å; F277-H288 HydrophobicContact CD2-CB 4.23Å; F277-H288 HydrophobicContact CE1-CB 3.43Å; F277-H288 VanDerWaalsContact CE1-CB 3.43Å; F277-H288 HydrophobicContact CE2-CB 3.83Å; F277-H288 AromaticContact CE2-CD2 3.63Å; F277-H288 AromaticContact CE2-CG 3.81Å; F277-H288 HydrophobicContact CG-CB 4.25Å; F277-H288 HydrophobicContact CZ-CB 3.41Å; F277-H288 VanDerWaalsContact CZ-CB 3.41Å; F277-H288 AromaticContact CZ-CG 3.7Å; F277-H288 PolarHBondContact N-O 2.9Å; F277-H288 PolarHBondContact O-N 3.28Å; F277-V290 HydrophobicContact CD1-CG2 4.37Å; F277-V290 HydrophobicContact CE1-CG2 3.8Å |
| 278 | T | 98.6 | Very high | 95.5 | Very high | 28 Ų | 28 | 65 Ų | 65 | 17% | 0.172 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 133.9 | -178.5 | -59.5 | 0 | 0 | 0 | 0 | 109.6 | L261 R262 V285 S286 | L261-T278 CarbonylContact C-O 3.52Å; L261-T278 WeakPolarHBondContact CA-O 3.48Å; R262-T278 PolarHBondContact N-O 2.9Å; R262-T278 PolarHBondContact O-N 3.14Å; T278-V285 HydrophobicContact CG2-CG1 3.35Å; T278-S286 CarbonylContact C-O 3.59Å; T278-S286 WeakPolarHBondContact CA-O 3.2Å |
| 279 | T | 98.5 | Very high | 95.5 | Very high | 11 Ų | 11 | 65.8 Ų | 65.8 | 7% | 0.067 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 152.2 | 172 | 62.9 | 0 | 0 | 0 | 0 | 110 | F144 S260 L261 F277 V285 S286 H288 | F144-T279 HydrophobicContact CD1-CG2 3.75Å; F144-T279 HydrophobicContact CD2-CG2 3.79Å; F144-T279 HydrophobicContact CE1-CG2 3.62Å; F144-T279 HydrophobicContact CE2-CG2 3.67Å; F144-T279 HydrophobicContact CG-CG2 3.83Å; F144-T279 HydrophobicContact CZ-CG2 3.58Å; S260-T279 CarbonylContact O-C 3.57Å; S260-T279 VanDerWaalsContact O-CA 3.23Å; S260-T279 WeakPolarHBondContact O-CA 3.37Å; L261-T279 HydrophobicContact CD1-CG2 4.34Å; F277-T279 HydrophobicContact CD2-CG2 3.87Å; F277-T279 HydrophobicContact CE2-CG2 3.71Å; T279-V285 CarbonylContact O-C 3.53Å; T279-V285 WeakPolarHBondContact O-CA 3.39Å; T279-S286 PolarHBondContact N-O 2.77Å; T279-S286 PolarHBondContact O-N 3.31Å; T279-H288 PolarHBondContact OG1-CD2 3.19Å; T279-H288 PolarHBondContact OG1-NE2 3.33Å |
| 280 | S | 97.6 | Very high | 95.5 | Very high | 37 Ų | 37 | 65.9 Ų | 65.9 | 26% | 0.259 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 152.5 | 166.6 | 71.8 | 0 | 0 | 0 | 0 | 111.6 | G259 S260 C284 | G259-S280 CarbonylContact C-O 3.58Å; G259-S280 WeakPolarHBondContact CA-O 3.31Å; S260-S280 PolarHBondContact N-O 3.21Å; S260-S280 PolarHBondContact O-N 3.26Å; S260-S280 PolarHBondContact OG-OG 2.95Å; S280-C284 CarbonylContact C-O 3.6Å; S280-C284 WeakPolarHBondContact CA-O 3.39Å; S280-C284 VanDerWaalsContact CB-O 3.26Å; S280-C284 WeakPolarHBondContact CB-O 3.39Å |
| 281 | G | 94.9 | Very high | 95.6 | Very high | 31 Ų | 31 | 63.5 Ų | 63.5 | 32% | 0.32 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -178.7 | 147.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | K258 G283 C284 | K258-G281 WeakPolarHBondContact O-CA 3.31Å; G281-G283 PolarHBondContact O-N 2.98Å; G281-G283 VanDerWaalsContact O-N 3.07Å; G281-C284 PolarHBondContact N-O 2.88Å; G281-C284 PolarHBondContact O-N 3.12Å |
| 282 | G | 87.7 | Confident | 95.5 | Very high | 85 Ų | 85 | 59.8 Ų | 59.8 | 88% | 0.876 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.8 | 23.6 | 179 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 283 | G | 87.3 | Confident | 95.5 | Very high | 87 Ų | 87 | 65.3 Ų | 65.3 | 90% | 0.897 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.2 | 1.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | G281 | G281-G283 PolarHBondContact O-N 2.98Å; G281-G283 VanDerWaalsContact O-N 3.07Å |
| 284 | C | 92.9 | Very high | 95.4 | Very high | 84 Ų | 84 | 63.8 Ų | 63.8 | 57% | 0.568 | 39% | 0.387 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 150.8 | 177.4 | -69.9 | 0 | 0 | 0 | 0 | 111.6 | S280 G281 | S280-C284 CarbonylContact C-O 3.6Å; S280-C284 WeakPolarHBondContact CA-O 3.39Å; S280-C284 VanDerWaalsContact CB-O 3.26Å; S280-C284 WeakPolarHBondContact CB-O 3.39Å; G281-C284 PolarHBondContact N-O 2.88Å; G281-C284 PolarHBondContact O-N 3.12Å |
| 285 | V | 96.1 | Very high | 95.4 | Very high | 109 Ų | 109 | 62.3 Ų | 62.3 | 66% | 0.661 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 136.9 | 170.5 | -178.5 | 0 | 0 | 0 | 0 | 107.9 | T278 T279 | T278-V285 HydrophobicContact CG2-CG1 3.35Å; T279-V285 CarbonylContact O-C 3.53Å; T279-V285 WeakPolarHBondContact O-CA 3.39Å |
| 286 | S | 97.3 | Very high | 95.4 | Very high | 56 Ų | 56 | 62.9 Ų | 62.9 | 39% | 0.392 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 131.9 | 178.3 | -55.9 | 0 | 0 | 0 | 0 | 109.8 | T278 T279 | T278-S286 CarbonylContact C-O 3.59Å; T278-S286 WeakPolarHBondContact CA-O 3.2Å; T279-S286 PolarHBondContact N-O 2.77Å; T279-S286 PolarHBondContact O-N 3.31Å |
| 287 | E | 97.9 | Very high | 95.4 | Very high | 141 Ų | 141 | 61.9 Ų | 61.9 | 66% | 0.659 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 131.4 | 172.1 | -174.5 | 180 | 96.3 | 0 | 0 | 109 | V276 | V276-E287 HydrophobicContact CG1-CG 3.48Å; V276-E287 VanDerWaalsContact CG1-CG 3.48Å |
| 288 | H | 97.6 | Very high | 95.3 | Very high | 73 Ų | 73 | 61.5 Ų | 61.5 | 34% | 0.338 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 119.4 | 179.1 | -59.5 | -91.9 | 0 | 0 | 0 | 108.8 | V276 F277 T279 | V276-H288 WeakPolarHBondContact CA-O 3.39Å; F277-H288 HydrophobicContact CD1-CB 3.86Å; F277-H288 HydrophobicContact CD2-CB 4.23Å; F277-H288 HydrophobicContact CE1-CB 3.43Å; F277-H288 VanDerWaalsContact CE1-CB 3.43Å; F277-H288 HydrophobicContact CE2-CB 3.83Å; F277-H288 AromaticContact CE2-CD2 3.63Å; F277-H288 AromaticContact CE2-CG 3.81Å; F277-H288 HydrophobicContact CG-CB 4.25Å; F277-H288 HydrophobicContact CZ-CB 3.41Å; F277-H288 VanDerWaalsContact CZ-CB 3.41Å; F277-H288 AromaticContact CZ-CG 3.7Å; F277-H288 PolarHBondContact N-O 2.9Å; F277-H288 PolarHBondContact O-N 3.28Å; T279-H288 PolarHBondContact OG1-CD2 3.19Å; T279-H288 PolarHBondContact OG1-NE2 3.33Å |
| 289 | K | 97.5 | Very high | 95.2 | Very high | 105 Ų | 105 | 61.4 Ų | 61.4 | 46% | 0.457 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 120 | 174.8 | -179.7 | 179.5 | -71 | -149.4 | 0 | 109.4 | E274 V276 M291 | E274-K289 HydrophobicContact CB-CD 4.38Å; E274-K289 HydrophobicContact CB-CG 4.15Å; E274-K289 VanDerWaalsContact OE1-CE 3.29Å; E274-K289 WeakPolarHBondContact OE1-CE 3.37Å; E274-K289 IonicContact OE1-NZ 3.33Å; E274-K289 PolarHBondContact OE1-NZ 2.83Å; E274-K289 WeakPolarHBondContact OE2-CD 3.23Å; E274-K289 WeakPolarHBondContact OE2-CE 3.43Å; E274-K289 IonicContact OE2-NZ 2.7Å; E274-K289 PolarHBondContact OE2-NZ 2.8Å; V276-K289 HydrophobicContact CG2-CB 4.39Å; V276-K289 HydrophobicContact CG2-CG 4.31Å; K289-M291 HydrophobicContact CD-SD 4.1Å; K289-M291 HydrophobicContact CG-SD 4.2Å |
| 290 | V | 97.5 | Very high | 95.2 | Very high | 24 Ų | 24 | 60.9 Ų | 60.9 | 15% | 0.145 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 116.3 | 177 | -175 | 0 | 0 | 0 | 0 | 108.6 | P136 R137 K140 E274 A275 F277 | P136-V290 HydrophobicContact CB-CG1 3.93Å; R137-V290 HydrophobicContact CB-CB 4.42Å; R137-V290 HydrophobicContact CB-CG2 4.42Å; K140-V290 HydrophobicContact CB-CG2 4.38Å; K140-V290 HydrophobicContact CG-CG2 4.06Å; E274-V290 CarbonylContact C-O 3.55Å; E274-V290 WeakPolarHBondContact CA-O 3.31Å; A275-V290 PolarHBondContact N-O 3.32Å; A275-V290 PolarHBondContact O-N 2.61Å; F277-V290 HydrophobicContact CD1-CG2 4.37Å; F277-V290 HydrophobicContact CE1-CG2 3.8Å |
| 291 | M | 97 | Very high | 95.3 | Very high | 122 Ų | 122 | 59.1 Ų | 59.1 | 60% | 0.601 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 138.8 | 174.9 | -59 | -53.1 | -61.1 | 0 | 0 | 110.3 | T273 E274 K289 | T273-M291 WeakPolarHBondContact O-CE 3.35Å; E274-M291 HydrophobicContact CB-CE 4.27Å; E274-M291 HydrophobicContact CB-SD 3.96Å; K289-M291 HydrophobicContact CD-SD 4.1Å; K289-M291 HydrophobicContact CG-SD 4.2Å |
| 292 | T | 92.6 | Very high | 95.4 | Very high | 16 Ų | 16 | 60.3 Ų | 60.3 | 10% | 0.098 | 36% | 0.357 | C | S | . | . | trans | -125 | 114.9 | -178 | 46.2 | 0 | 0 | 0 | 0 | 110.1 | P136 E272 T273 E274 L294 | P136-T292 HydrophobicContact CB-CG2 4.37Å; P136-T292 HydrophobicContact CG-CG2 3.98Å; E272-T292 PolarHBondContact O-OG1 3.17Å; T273-T292 WeakPolarHBondContact CA-OG1 3.44Å; T273-T292 PolarHBondContact O-N 2.95Å; T273-T292 PolarHBondContact O-OG1 3.28Å; E274-T292 PolarHBondContact N-OG1 2.95Å; T292-L294 VanDerWaalsContact C-N 3.34Å | ||
| 293 | E | 91.7 | Very high | 95.9 | Very high | 203 Ų | 203 | 58.6 Ų | 58.6 | 95% | 0.949 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -74.2 | -29.7 | 175.9 | -64.9 | -173.8 | 171.1 | 0 | 0 | 112.2 | ||
| 294 | L | 93.5 | Very high | 96.5 | Very high | 50 Ų | 50 | 54.5 Ų | 54.5 | 26% | 0.262 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -122.4 | 149.3 | 178.5 | -68.3 | 176.2 | 0 | 0 | 0 | 110.3 | L27 T292 A298 M302 | L27-L294 HydrophobicContact CB-CD2 4.3Å; T292-L294 VanDerWaalsContact C-N 3.34Å; L294-A298 HydrophobicContact CB-CB 4.18Å; L294-M302 HydrophobicContact CD1-CE 4.27Å; L294-M302 HydrophobicContact CD1-SD 3.21Å; L294-M302 WeakPolarHBondContact CD1-SD 3.31Å |
| 295 | S | 94.5 | Very high | 96.7 | Very high | 2 Ų | 2 | 50.6 Ų | 50.6 | 1% | 0.014 | 26% | 0.257 | C | S | . | . | trans | -62.4 | 151.7 | 174 | 100.5 | 0 | 0 | 0 | 0 | 111.2 | E272 E297 A298 C299 | E272-S295 WeakPolarHBondContact OE1-CB 3.08Å; S295-E297 WeakPolarHBondContact CB-OE2 3.43Å; S295-E297 PolarHBondContact O-N 3.01Å; S295-E297 PolarHBondContact OG-N 3.09Å; S295-E297 PolarHBondContact OG-OE2 2.92Å; S295-A298 WeakPolarHBondContact O-CB 3.04Å; S295-A298 PolarHBondContact O-N 2.87Å; S295-A298 PolarHBondContact OG-N 3.18Å; S295-C299 PolarHBondContact O-N 3.3Å; S295-C299 PolarHBondContact O-SG 3.18Å; S295-C299 VanDerWaalsContact O-SG 3.39Å | ||
| 296 | Q | 96.8 | Very high | 96.8 | Very high | 13 Ų | 13 | 50.4 Ų | 50.4 | 6% | 0.061 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -58.8 | -29.9 | 175.3 | 61.1 | 179 | 15.3 | 0 | 0 | 112.5 | Q131 V267 M300 | Q131-Q296 HydrophobicContact CB-CG 4.09Å; V267-Q296 PolarHBondContact O-NE2 3.12Å; Q296-M300 WeakPolarHBondContact O-CB 3.29Å; Q296-M300 PolarHBondContact O-N 3.28Å |
| 297 | E | 96.7 | Very high | 96.9 | Very high | 14 Ų | 14 | 48.2 Ų | 48.2 | 7% | 0.065 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -70.9 | -40.1 | 174 | -52.9 | 81 | -173.9 | 0 | 0 | 111.8 | K20 A24 Q131 S295 C299 M300 V301 | K20-E297 HydrophobicContact CD-CG 4.47Å; K20-E297 VanDerWaalsContact CE-CD 3.48Å; K20-E297 WeakPolarHBondContact CE-OE1 3.44Å; K20-E297 IonicContact NZ-OE1 2.91Å; K20-E297 PolarHBondContact NZ-OE1 3.09Å; A24-E297 HydrophobicContact CB-CB 3.64Å; Q131-E297 HydrophobicContact CB-CG 4.06Å; Q131-E297 HydrophobicContact CG-CB 4.36Å; Q131-E297 HydrophobicContact CG-CG 3.63Å; Q131-E297 VanDerWaalsContact OE1-CG 3.22Å; Q131-E297 PolarHBondContact OE1-OE1 3.31Å; Q131-E297 VanDerWaalsContact OE1-OE1 3.1Å; S295-E297 WeakPolarHBondContact CB-OE2 3.43Å; S295-E297 PolarHBondContact O-N 3.01Å; S295-E297 PolarHBondContact OG-N 3.09Å; S295-E297 PolarHBondContact OG-OE2 2.92Å; E297-C299 VanDerWaalsContact C-N 3.35Å; E297-M300 WeakPolarHBondContact O-CB 3.44Å; E297-M300 PolarHBondContact O-N 3.22Å; E297-V301 WeakPolarHBondContact O-CG2 3.38Å; E297-V301 PolarHBondContact O-N 2.91Å |
| 298 | A | 97.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.2 | -41.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | A24 L27 L294 S295 M300 V301 M302 | A24-A298 HydrophobicContact CB-CB 4.42Å; L27-A298 HydrophobicContact CB-CB 3.96Å; L27-A298 HydrophobicContact CD1-CB 4.49Å; L294-A298 HydrophobicContact CB-CB 4.18Å; S295-A298 WeakPolarHBondContact O-CB 3.04Å; S295-A298 PolarHBondContact O-N 2.87Å; S295-A298 PolarHBondContact OG-N 3.18Å; A298-M300 VanDerWaalsContact C-N 3.34Å; A298-M300 PolarHBondContact O-N 2.74Å; A298-V301 PolarHBondContact O-N 3.24Å; A298-M302 WeakPolarHBondContact O-CB 3.39Å; A298-M302 VanDerWaalsContact O-CG 3.3Å; A298-M302 WeakPolarHBondContact O-CG 3.32Å; A298-M302 PolarHBondContact O-N 2.81Å |
| 299 | C | 97.5 | Very high | 96.9 | Very high | 26 Ų | 26 | 38.6 Ų | 38.6 | 18% | 0.176 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60 | -41.6 | 172.6 | -65.6 | 0 | 0 | 0 | 0 | 112.3 | H134 S295 E297 M302 E303 | H134-C299 HydrophobicContact CB-CB 3.94Å; H134-C299 WeakPolarHBondContact O-CB 3.4Å; S295-C299 PolarHBondContact O-N 3.3Å; S295-C299 PolarHBondContact O-SG 3.18Å; S295-C299 VanDerWaalsContact O-SG 3.39Å; E297-C299 VanDerWaalsContact C-N 3.35Å; C299-M302 PolarHBondContact O-N 2.9Å; C299-E303 WeakPolarHBondContact O-CB 3.44Å; C299-E303 PolarHBondContact O-N 3.37Å |
| 300 | M | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.4 | -49.6 | 174.6 | 179.9 | -177.3 | 76.2 | 0 | 0 | 111.6 | L21 L100 M127 Q131 H134 Q296 E297 A298 M302 E303 F304 | L21-M300 HydrophobicContact CD1-CE 3.67Å; L100-M300 HydrophobicContact CD1-CE 4.48Å; L100-M300 HydrophobicContact CD1-SD 4.49Å; L100-M300 HydrophobicContact CD2-CE 4.26Å; M127-M300 HydrophobicContact SD-CG 4.09Å; Q131-M300 HydrophobicContact CG-CE 3.98Å; Q131-M300 HydrophobicContact CG-SD 3.91Å; H134-M300 HydrophobicContact CB-CB 4.06Å; H134-M300 VanDerWaalsContact CD2-CB 3.47Å; H134-M300 WeakPolarHBondContact CD2-CB 3.49Å; H134-M300 VanDerWaalsContact CG-CA 3.47Å; Q296-M300 WeakPolarHBondContact O-CB 3.29Å; Q296-M300 PolarHBondContact O-N 3.28Å; E297-M300 WeakPolarHBondContact O-CB 3.44Å; E297-M300 PolarHBondContact O-N 3.22Å; A298-M300 VanDerWaalsContact C-N 3.34Å; A298-M300 PolarHBondContact O-N 2.74Å; M300-M302 VanDerWaalsContact C-N 3.31Å; M300-M302 PolarHBondContact O-N 3.47Å; M300-E303 PolarHBondContact O-N 2.74Å; M300-F304 WeakPolarHBondContact O-CB 3.18Å; M300-F304 PolarHBondContact O-N 2.92Å |
| 301 | V | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.8 | -41.6 | 177.5 | 173.6 | 0 | 0 | 0 | 0 | 111.2 | I9 L21 A24 I25 A31 E297 A298 F304 A305 | I9-V301 HydrophobicContact CD1-CG1 4.1Å; L21-V301 HydrophobicContact CD1-CG2 3.66Å; L21-V301 HydrophobicContact CG-CG2 4.29Å; A24-V301 HydrophobicContact CB-CG2 4.06Å; I25-V301 HydrophobicContact CB-CG1 4.46Å; I25-V301 HydrophobicContact CG1-CG1 3.9Å; I25-V301 HydrophobicContact CG1-CG2 4.01Å; A31-V301 HydrophobicContact CB-CG1 3.59Å; E297-V301 WeakPolarHBondContact O-CG2 3.38Å; E297-V301 PolarHBondContact O-N 2.91Å; A298-V301 PolarHBondContact O-N 3.24Å; V301-F304 PolarHBondContact O-N 3.33Å; V301-A305 WeakPolarHBondContact O-CB 3.18Å; V301-A305 PolarHBondContact O-N 2.97Å |
| 302 | M | 97.6 | Very high | 96.9 | Very high | 57 Ų | 57 | 34.3 Ų | 34.3 | 28% | 0.281 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -60.1 | -46.7 | 177.7 | -81.6 | 179.9 | 59.1 | 0 | 0 | 112.5 | S28 P29 N30 L294 A298 C299 M300 A305 R306 | S28-M302 WeakPolarHBondContact OG-CG 3.37Å; P29-M302 HydrophobicContact CG-CE 4.29Å; P29-M302 HydrophobicContact CG-SD 4.4Å; N30-M302 PolarHBondContact ND2-O 3.32Å; N30-M302 WeakPolarHBondContact OD1-CA 3.28Å; L294-M302 HydrophobicContact CD1-CE 4.27Å; L294-M302 HydrophobicContact CD1-SD 3.21Å; L294-M302 WeakPolarHBondContact CD1-SD 3.31Å; A298-M302 WeakPolarHBondContact O-CB 3.39Å; A298-M302 VanDerWaalsContact O-CG 3.3Å; A298-M302 WeakPolarHBondContact O-CG 3.32Å; A298-M302 PolarHBondContact O-N 2.81Å; C299-M302 PolarHBondContact O-N 2.9Å; M300-M302 VanDerWaalsContact C-N 3.31Å; M300-M302 PolarHBondContact O-N 3.47Å; M302-A305 PolarHBondContact O-N 3.05Å; M302-R306 WeakPolarHBondContact O-CB 3.13Å; M302-R306 PolarHBondContact O-N 2.63Å |
| 303 | E | 98.3 | Very high | 97 | Very high | 49 Ų | 49 | 38 Ų | 38 | 23% | 0.229 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -68 | -44.3 | 180 | 177.8 | 55.2 | -167.4 | 0 | 0 | 111.2 | M127 C299 M300 A305 R306 L307 W322 | M127-E303 HydrophobicContact CE-CG 4.17Å; C299-E303 WeakPolarHBondContact O-CB 3.44Å; C299-E303 PolarHBondContact O-N 3.37Å; M300-E303 PolarHBondContact O-N 2.74Å; E303-A305 PolarHBondContact O-N 3.46Å; E303-R306 WeakPolarHBondContact O-CB 3.44Å; E303-R306 PolarHBondContact O-N 2.83Å; E303-R306 IonicContact OE1-CZ 3.72Å; E303-R306 IonicContact OE1-NE 3.5Å; E303-R306 IonicContact OE1-NH2 3.29Å; E303-R306 PolarHBondContact OE1-NH2 3.49Å; E303-R306 IonicContact OE2-CZ 3.58Å; E303-R306 IonicContact OE2-NE 2.72Å; E303-R306 PolarHBondContact OE2-NE 2.85Å; E303-R306 IonicContact OE2-NH2 3.64Å; E303-R306 PolarHBondContact OE2-NH2 2.89Å; E303-L307 HydrophobicContact CG-CD1 4.4Å; E303-L307 WeakPolarHBondContact O-CG 3.36Å; E303-L307 PolarHBondContact O-N 2.88Å; E303-W322 HydrophobicContact CG-CZ2 4.15Å |
| 304 | F | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -57.6 | -49.6 | 174 | 179.3 | -112 | 0 | 0 | 0 | 111.7 | A75 H98 I99 L100 Q125 M127 M300 V301 R306 L307 V308 | A75-F304 HydrophobicContact CB-CE1 3.52Å; A75-F304 HydrophobicContact CB-CZ 3.8Å; H98-F304 HydrophobicContact CB-CE2 4.48Å; H98-F304 HydrophobicContact CB-CZ 3.92Å; I99-F304 VanDerWaalsContact O-CE2 3.32Å; I99-F304 WeakPolarHBondContact O-CE2 3.35Å; L100-F304 HydrophobicContact CB-CD1 4.29Å; L100-F304 HydrophobicContact CB-CE1 3.96Å; L100-F304 HydrophobicContact CB-CE2 4.36Å; L100-F304 HydrophobicContact CB-CZ 4Å; L100-F304 HydrophobicContact CD1-CD2 4.42Å; L100-F304 HydrophobicContact CD1-CG 4.33Å; L100-F304 HydrophobicContact CD2-CD1 4.43Å; Q125-F304 HydrophobicContact CB-CE2 4.47Å; Q125-F304 HydrophobicContact CG-CD2 4.38Å; Q125-F304 HydrophobicContact CG-CE2 4.18Å; M127-F304 HydrophobicContact CB-CD2 3.72Å; M127-F304 HydrophobicContact CB-CE2 4.23Å; M127-F304 HydrophobicContact CE-CB 3.92Å; M127-F304 HydrophobicContact CE-CD2 4.22Å; M127-F304 HydrophobicContact SD-CB 3.81Å; M127-F304 HydrophobicContact SD-CD2 4.31Å; M127-F304 HydrophobicContact SD-CG 4.48Å; M300-F304 WeakPolarHBondContact O-CB 3.18Å; M300-F304 PolarHBondContact O-N 2.92Å; V301-F304 PolarHBondContact O-N 3.33Å; F304-R306 VanDerWaalsContact C-N 3.29Å; F304-R306 PolarHBondContact O-N 3.45Å; F304-L307 PolarHBondContact O-N 3.39Å; F304-V308 HydrophobicContact CD1-CG2 4.42Å; F304-V308 HydrophobicContact CD2-CG2 4.37Å; F304-V308 HydrophobicContact CE1-CG2 4.07Å; F304-V308 HydrophobicContact CE2-CG2 4.01Å; F304-V308 HydrophobicContact CZ-CG2 3.85Å; F304-V308 VanDerWaalsContact O-CG2 3.32Å; F304-V308 WeakPolarHBondContact O-CG2 3.23Å; F304-V308 PolarHBondContact O-N 3.27Å |
| 305 | A | 98.5 | Very high | 97.1 | Very high | 2 Ų | 2 | 37.9 Ų | 37.9 | 2% | 0.017 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64 | -33.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | I7 A31 V301 M302 E303 G309 | I7-A305 HydrophobicContact CB-CB 4.01Å; I7-A305 HydrophobicContact CG1-CB 3.87Å; I7-A305 VanDerWaalsContact CG1-O 3.28Å; I7-A305 WeakPolarHBondContact CG1-O 3.37Å; A31-A305 HydrophobicContact CB-CB 4.01Å; V301-A305 WeakPolarHBondContact O-CB 3.18Å; V301-A305 PolarHBondContact O-N 2.97Å; M302-A305 PolarHBondContact O-N 3.05Å; E303-A305 PolarHBondContact O-N 3.46Å; A305-G309 PolarHBondContact O-N 3.39Å |
| 306 | R | 98.1 | Very high | 97.3 | Very high | 105 Ų | 105 | 39.7 Ų | 39.7 | 40% | 0.396 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -61.7 | -50.7 | 172.9 | -171.9 | -166.2 | 68 | 74.1 | -1.5 | 110.5 | N30 M302 E303 F304 V308 G309 E310 | N30-R306 PolarHBondContact ND2-N 2.91Å; M302-R306 WeakPolarHBondContact O-CB 3.13Å; M302-R306 PolarHBondContact O-N 2.63Å; E303-R306 WeakPolarHBondContact O-CB 3.44Å; E303-R306 PolarHBondContact O-N 2.83Å; E303-R306 IonicContact OE1-CZ 3.72Å; E303-R306 IonicContact OE1-NE 3.5Å; E303-R306 IonicContact OE1-NH2 3.29Å; E303-R306 PolarHBondContact OE1-NH2 3.49Å; E303-R306 IonicContact OE2-CZ 3.58Å; E303-R306 IonicContact OE2-NE 2.72Å; E303-R306 PolarHBondContact OE2-NE 2.85Å; E303-R306 IonicContact OE2-NH2 3.64Å; E303-R306 PolarHBondContact OE2-NH2 2.89Å; F304-R306 VanDerWaalsContact C-N 3.29Å; F304-R306 PolarHBondContact O-N 3.45Å; R306-V308 PolarHBondContact O-N 3.43Å; R306-G309 PolarHBondContact O-N 3.3Å; R306-G309 VanDerWaalsContact O-N 3.16Å; R306-E310 WeakPolarHBondContact O-CG 3.48Å; R306-E310 PolarHBondContact O-N 2.99Å |
| 307 | L | 98.4 | Very high | 97.3 | Very high | 11 Ų | 11 | 48 Ų | 48 | 6% | 0.058 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59.7 | -45.7 | 178.9 | -68.5 | 169.7 | 0 | 0 | 0 | 112 | Q125 M127 E303 F304 G309 E310 I311 D319 | Q125-L307 HydrophobicContact CG-CB 4.05Å; Q125-L307 HydrophobicContact CG-CD1 4.45Å; M127-L307 HydrophobicContact CE-CD1 3.59Å; E303-L307 HydrophobicContact CG-CD1 4.4Å; E303-L307 WeakPolarHBondContact O-CG 3.36Å; E303-L307 PolarHBondContact O-N 2.88Å; F304-L307 PolarHBondContact O-N 3.39Å; L307-G309 VanDerWaalsContact C-N 3.32Å; L307-G309 PolarHBondContact O-N 3.26Å; L307-E310 PolarHBondContact O-N 2.67Å; L307-I311 WeakPolarHBondContact O-CG1 3.32Å; L307-I311 PolarHBondContact O-N 2.91Å; L307-D319 HydrophobicContact CD1-CB 4.43Å; L307-D319 HydrophobicContact CD2-CB 3.76Å |
| 308 | V | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.4 | -42.9 | 174.7 | 173.9 | 0 | 0 | 0 | 0 | 111.2 | I7 H98 Q125 F304 R306 E310 I311 K312 | I7-V308 HydrophobicContact CD1-CB 4.36Å; I7-V308 HydrophobicContact CD1-CG1 3.84Å; I7-V308 HydrophobicContact CG1-CB 4.18Å; I7-V308 HydrophobicContact CG1-CG1 4.05Å; I7-V308 HydrophobicContact CG2-CB 4.21Å; I7-V308 HydrophobicContact CG2-CG1 3.71Å; H98-V308 HydrophobicContact CB-CG1 4.37Å; H98-V308 HydrophobicContact CB-CG2 3.58Å; H98-V308 VanDerWaalsContact CD2-CG1 3.5Å; H98-V308 WeakPolarHBondContact CD2-CG1 3.05Å; Q125-V308 HydrophobicContact CB-CG2 4.19Å; F304-V308 HydrophobicContact CD1-CG2 4.42Å; F304-V308 HydrophobicContact CD2-CG2 4.37Å; F304-V308 HydrophobicContact CE1-CG2 4.07Å; F304-V308 HydrophobicContact CE2-CG2 4.01Å; F304-V308 HydrophobicContact CZ-CG2 3.85Å; F304-V308 VanDerWaalsContact O-CG2 3.32Å; F304-V308 WeakPolarHBondContact O-CG2 3.23Å; F304-V308 PolarHBondContact O-N 3.27Å; R306-V308 PolarHBondContact O-N 3.43Å; V308-E310 PolarHBondContact O-N 3.42Å; V308-I311 PolarHBondContact O-N 3.24Å; V308-K312 HydrophobicContact CG1-CD 3.92Å; V308-K312 HydrophobicContact CG1-CG 4.2Å; V308-K312 WeakPolarHBondContact O-CB 3.36Å; V308-K312 WeakPolarHBondContact O-CG 3.46Å; V308-K312 PolarHBondContact O-N 3.2Å |
| 309 | G | 97.7 | Very high | 97.5 | Very high | 11 Ų | 11 | 52.5 Ų | 52.5 | 11% | 0.113 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.9 | -39.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | A305 R306 L307 I311 N313 | A305-G309 PolarHBondContact O-N 3.39Å; R306-G309 PolarHBondContact O-N 3.3Å; R306-G309 VanDerWaalsContact O-N 3.16Å; L307-G309 VanDerWaalsContact C-N 3.32Å; L307-G309 PolarHBondContact O-N 3.26Å; G309-I311 VanDerWaalsContact C-N 3.33Å; G309-I311 PolarHBondContact O-N 2.88Å; G309-N313 WeakPolarHBondContact O-CB 3.49Å; G309-N313 PolarHBondContact O-N 2.83Å; G309-N313 PolarHBondContact O-ND2 3.04Å |
| 310 | E | 97.4 | Very high | 97.5 | Very high | 51 Ų | 51 | 53.1 Ų | 53.1 | 24% | 0.238 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.2 | -39.9 | 175 | -66.3 | -59.2 | 120.7 | 0 | 0 | 111.6 | R306 L307 V308 R314 G315 A316 | R306-E310 WeakPolarHBondContact O-CG 3.48Å; R306-E310 PolarHBondContact O-N 2.99Å; L307-E310 PolarHBondContact O-N 2.67Å; V308-E310 PolarHBondContact O-N 3.42Å; E310-R314 CarbonylContact O-C 3.58Å; E310-R314 WeakPolarHBondContact O-CA 3.43Å; E310-R314 VanDerWaalsContact O-CB 3.29Å; E310-R314 WeakPolarHBondContact O-CB 3.18Å; E310-R314 PolarHBondContact O-N 2.77Å; E310-R314 VanDerWaalsContact O-N 3.12Å; E310-R314 IonicContact OE1-CZ 3.14Å; E310-R314 IonicContact OE1-NE 3.47Å; E310-R314 PolarHBondContact OE1-NE 2.8Å; E310-R314 IonicContact OE1-NH1 2.61Å; E310-R314 PolarHBondContact OE1-NH1 2.92Å; E310-R314 IonicContact OE1-NH2 2.95Å; E310-R314 WeakPolarHBondContact OE2-CD 3.33Å; E310-R314 IonicContact OE2-CZ 3.96Å; E310-R314 IonicContact OE2-NE 3.65Å; E310-R314 IonicContact OE2-NH1 3.63Å; E310-R314 PolarHBondContact OE2-NH1 3.2Å; E310-G315 PolarHBondContact O-N 3.11Å; E310-A316 HydrophobicContact CB-CB 3.87Å; E310-A316 WeakPolarHBondContact O-CB 3.17Å; E310-A316 PolarHBondContact O-N 2.89Å; E310-A316 VanDerWaalsContact O-N 3.12Å |
| 311 | I | 97.8 | Very high | 97.5 | Very high | 25 Ų | 25 | 55.5 Ų | 55.5 | 13% | 0.128 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -67.2 | -56.4 | 176.9 | -60.7 | 161 | 0 | 0 | 0 | 109.9 | Q125 L307 V308 G309 N313 G315 P318 | Q125-I311 HydrophobicContact CB-CD1 3.7Å; L307-I311 WeakPolarHBondContact O-CG1 3.32Å; L307-I311 PolarHBondContact O-N 2.91Å; V308-I311 PolarHBondContact O-N 3.24Å; G309-I311 VanDerWaalsContact C-N 3.33Å; G309-I311 PolarHBondContact O-N 2.88Å; I311-N313 PolarHBondContact O-N 2.77Å; I311-G315 VanDerWaalsContact O-CA 3.28Å; I311-G315 WeakPolarHBondContact O-CA 3.32Å; I311-G315 PolarHBondContact O-N 3.12Å; I311-P318 HydrophobicContact CD1-CB 4.27Å; I311-P318 HydrophobicContact CD1-CG 4.1Å |
| 312 | K | 95.8 | Very high | 97.5 | Very high | 85 Ų | 85 | 56.7 Ų | 56.7 | 37% | 0.37 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -64.3 | -42.9 | -173.6 | -75.2 | -168.8 | 67 | -170.1 | 0 | 113.6 | D74 V308 | D74-K312 HydrophobicContact CB-CD 4.2Å; D74-K312 IonicContact OD1-NZ 2.64Å; D74-K312 PolarHBondContact OD1-NZ 2.68Å; D74-K312 IonicContact OD2-NZ 3.27Å; D74-K312 PolarHBondContact OD2-NZ 2.79Å; V308-K312 HydrophobicContact CG1-CD 3.92Å; V308-K312 HydrophobicContact CG1-CG 4.2Å; V308-K312 WeakPolarHBondContact O-CB 3.36Å; V308-K312 WeakPolarHBondContact O-CG 3.46Å; V308-K312 PolarHBondContact O-N 3.2Å |
| 313 | N | 94.8 | Very high | 97.5 | Very high | 95 Ų | 95 | 54.8 Ų | 54.8 | 51% | 0.508 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -100.4 | -18.2 | -168.6 | -55.8 | -31.5 | 0 | 0 | 0 | 112.9 | G309 I311 | G309-N313 WeakPolarHBondContact O-CB 3.49Å; G309-N313 PolarHBondContact O-N 2.83Å; G309-N313 PolarHBondContact O-ND2 3.04Å; I311-N313 PolarHBondContact O-N 2.77Å |
| 314 | R | 94.3 | Very high | 97.5 | Very high | 182 Ų | 182 | 59.2 Ų | 59.2 | 69% | 0.687 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -127.1 | -0.3 | -176.2 | -57.6 | 171 | 177.7 | -173.2 | 2.5 | 113.6 | E310 A316 | E310-R314 CarbonylContact O-C 3.58Å; E310-R314 WeakPolarHBondContact O-CA 3.43Å; E310-R314 VanDerWaalsContact O-CB 3.29Å; E310-R314 WeakPolarHBondContact O-CB 3.18Å; E310-R314 PolarHBondContact O-N 2.77Å; E310-R314 VanDerWaalsContact O-N 3.12Å; E310-R314 IonicContact OE1-CZ 3.14Å; E310-R314 IonicContact OE1-NE 3.47Å; E310-R314 PolarHBondContact OE1-NE 2.8Å; E310-R314 IonicContact OE1-NH1 2.61Å; E310-R314 PolarHBondContact OE1-NH1 2.92Å; E310-R314 IonicContact OE1-NH2 2.95Å; E310-R314 WeakPolarHBondContact OE2-CD 3.33Å; E310-R314 IonicContact OE2-CZ 3.96Å; E310-R314 IonicContact OE2-NE 3.65Å; E310-R314 IonicContact OE2-NH1 3.63Å; E310-R314 PolarHBondContact OE2-NH1 3.2Å; R314-A316 PolarHBondContact O-N 3.25Å |
| 315 | G | 94.7 | Very high | 97.5 | Very high | 67 Ų | 67 | 59.5 Ų | 59.5 | 69% | 0.691 | 30% | 0.302 | S | S | * | . | trans | 66.2 | 25 | -180 | 0 | 0 | 0 | 0 | 0 | 113.4 | E310 I311 | E310-G315 PolarHBondContact O-N 3.11Å; I311-G315 VanDerWaalsContact O-CA 3.28Å; I311-G315 WeakPolarHBondContact O-CA 3.32Å; I311-G315 PolarHBondContact O-N 3.12Å | ||
| 316 | A | 97.5 | Very high | 97.5 | Very high | 40 Ų | 40 | 59.4 Ų | 59.4 | 33% | 0.331 | 30% | 0.301 | S | S | . | . | P | Polyproline II helix | trans | -65.6 | 158.1 | 174 | 0 | 0 | 0 | 0 | 0 | 111 | E310 R314 | E310-A316 HydrophobicContact CB-CB 3.87Å; E310-A316 WeakPolarHBondContact O-CB 3.17Å; E310-A316 PolarHBondContact O-N 2.89Å; E310-A316 VanDerWaalsContact O-N 3.12Å; R314-A316 PolarHBondContact O-N 3.25Å |
| 317 | K | 97.9 | Very high | 97.5 | Very high | 189 Ų | 189 | 57.4 Ų | 57.4 | 82% | 0.822 | 29% | 0.294 | S | S | * | . | P | Polyproline II helix | trans | -80.2 | 153.7 | 169.3 | -67.2 | -172.5 | 177.3 | -173.7 | 0 | 110.4 | ||
| 318 | P | 98.5 | Very high | 97.5 | Very high | 45 Ų | 45 | 58 Ų | 58 | 29% | 0.292 | 30% | 0.297 | S | S | . | . | P | Polyproline II helix | trans | -52.7 | 139.7 | 168.5 | -25.7 | 34.7 | 0 | 0 | 0 | 112.5 | G123 V124 I311 G320 | G123-P318 WeakPolarHBondContact O-CG 3.28Å; V124-P318 WeakPolarHBondContact O-CG 3.31Å; I311-P318 HydrophobicContact CD1-CB 4.27Å; I311-P318 HydrophobicContact CD1-CG 4.1Å; P318-G320 PolarHBondContact O-N 3.11Å |
| 319 | D | 98.5 | Very high | 97.5 | Very high | 63 Ų | 63 | 58 Ų | 58 | 34% | 0.337 | 30% | 0.297 | S | S | . | . | trans | -75.3 | 111.5 | 170.6 | -172.9 | -16.5 | 0 | 0 | 0 | 109.5 | Q125 L307 F321 | Q125-D319 PolarHBondContact NE2-O 2.92Å; L307-D319 HydrophobicContact CD1-CB 4.43Å; L307-D319 HydrophobicContact CD2-CB 3.76Å; D319-F321 VanDerWaalsContact C-N 3.26Å; D319-F321 PolarHBondContact O-N 2.97Å; D319-F321 VanDerWaalsContact OD1-CB 3.23Å; D319-F321 WeakPolarHBondContact OD1-CB 3.39Å; D319-F321 PolarHBondContact OD1-N 2.85Å | ||
| 320 | G | 98 | Very high | 97.6 | Very high | 38 Ų | 38 | 57.4 Ų | 57.4 | 39% | 0.392 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -75.8 | -4.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | P318 R324 | P318-G320 PolarHBondContact O-N 3.11Å; G320-R324 VanDerWaalsContact O-CB 3.29Å; G320-R324 WeakPolarHBondContact O-CB 3.22Å; G320-R324 PolarHBondContact O-N 2.93Å; G320-R324 VanDerWaalsContact O-N 3.1Å |
| 321 | F | 98.3 | Very high | 97.6 | Very high | 51 Ų | 51 | 55.1 Ų | 55.1 | 22% | 0.224 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -58.8 | -53.1 | 178 | 169.3 | -99.5 | 0 | 0 | 0 | 111.7 | F203 D319 M323 R324 F325 | F203-F321 HydrophobicContact CD1-CE2 4.34Å; F203-F321 HydrophobicContact CD1-CZ 4.44Å; F203-F321 HydrophobicContact CD2-CE2 4.28Å; F203-F321 HydrophobicContact CE1-CE2 4.18Å; F203-F321 AromaticContact CE1-CZ 3.93Å; F203-F321 HydrophobicContact CE1-CZ 3.93Å; F203-F321 HydrophobicContact CE2-CE2 4.12Å; F203-F321 HydrophobicContact CE2-CZ 4.4Å; F203-F321 HydrophobicContact CG-CE2 4.38Å; F203-F321 HydrophobicContact CZ-CE2 4.07Å; F203-F321 AromaticContact CZ-CZ 3.9Å; F203-F321 HydrophobicContact CZ-CZ 3.9Å; D319-F321 VanDerWaalsContact C-N 3.26Å; D319-F321 PolarHBondContact O-N 2.97Å; D319-F321 VanDerWaalsContact OD1-CB 3.23Å; D319-F321 WeakPolarHBondContact OD1-CB 3.39Å; D319-F321 PolarHBondContact OD1-N 2.85Å; F321-M323 PolarHBondContact O-N 3.35Å; F321-R324 PolarHBondContact O-N 2.83Å; F321-F325 HydrophobicContact CZ-CB 4.39Å; F321-F325 HydrophobicContact CZ-CD1 4.47Å; F321-F325 HydrophobicContact CZ-CG 4.44Å; F321-F325 WeakPolarHBondContact O-CB 3.47Å; F321-F325 PolarHBondContact O-N 3Å |
| 322 | W | 98.5 | Very high | 97.7 | Very high | 24 Ų | 24 | 53.9 Ų | 53.9 | 9% | 0.091 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.9 | -46.5 | -173.8 | -60.9 | 104.2 | 0 | 0 | 0 | 111.6 | F126 M127 M133 H134 E303 R324 F325 S326 | F126-W322 WeakPolarHBondContact O-CB 3.32Å; M127-W322 HydrophobicContact CB-CB 4.45Å; M127-W322 HydrophobicContact CE-CD2 3.87Å; M127-W322 HydrophobicContact CE-CG 4Å; M127-W322 HydrophobicContact CE-CZ2 4.19Å; M127-W322 HydrophobicContact CG-CB 4.41Å; M127-W322 HydrophobicContact CG-CD2 4.14Å; M127-W322 HydrophobicContact CG-CE3 4.23Å; M127-W322 HydrophobicContact CG-CG 4.21Å; M133-W322 HydrophobicContact CB-CZ3 4.39Å; H134-W322 AromaticContact CE1-CH2 3.13Å; H134-W322 WeakPolarHBondContact CE1-CH2 2.91Å; H134-W322 AromaticContact CE1-CZ2 3.65Å; H134-W322 AromaticContact CE1-CZ3 3.47Å; H134-W322 VanDerWaalsContact CE1-CZ3 3.47Å; H134-W322 WeakPolarHBondContact CE1-CZ3 3.45Å; H134-W322 AromaticContact ND1-CH2 3.72Å; H134-W322 AromaticContact NE2-CH2 3.75Å; H134-W322 AromaticContact NE2-CZ3 3.63Å; E303-W322 HydrophobicContact CG-CZ2 4.15Å; W322-R324 PolarHBondContact O-N 2.83Å; W322-F325 PolarHBondContact O-N 3.07Å; W322-S326 PolarHBondContact O-N 2.84Å; W322-S326 PolarHBondContact O-OG 2.83Å |
| 323 | M | 97.8 | Very high | 97.8 | Very high | 17 Ų | 17 | 49.9 Ų | 49.9 | 8% | 0.084 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.1 | -45.6 | 178.2 | -167.2 | 177.7 | -71.2 | 0 | 0 | 112.4 | F112 V116 C119 E120 F126 F321 F325 S326 R327 | F112-M323 HydrophobicContact CE1-CG 4.49Å; F112-M323 HydrophobicContact CZ-CG 4.36Å; V116-M323 HydrophobicContact CB-CG 4.37Å; V116-M323 HydrophobicContact CB-SD 3.86Å; V116-M323 HydrophobicContact CG1-CG 4.33Å; V116-M323 HydrophobicContact CG1-SD 3.57Å; V116-M323 VanDerWaalsContact CG1-SD 3.57Å; V116-M323 HydrophobicContact CG2-CG 3.64Å; V116-M323 HydrophobicContact CG2-SD 3.8Å; C119-M323 HydrophobicContact CB-CE 3.34Å; E120-M323 HydrophobicContact CG-SD 4.36Å; F126-M323 HydrophobicContact CB-CE 3.28Å; F126-M323 HydrophobicContact CD1-CB 4.16Å; F126-M323 HydrophobicContact CD1-CG 4.31Å; F126-M323 HydrophobicContact CG-CE 4.03Å; F321-M323 PolarHBondContact O-N 3.35Å; M323-F325 VanDerWaalsContact C-N 3.33Å; M323-F325 PolarHBondContact O-N 2.99Å; M323-S326 PolarHBondContact O-N 2.96Å; M323-R327 WeakPolarHBondContact O-CB 3.37Å; M323-R327 PolarHBondContact O-N 2.81Å |
| 324 | R | 98 | Very high | 98 | Very high | 143 Ų | 143 | 46.4 Ų | 46.4 | 54% | 0.54 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.4 | -39.6 | 176.2 | -179.2 | 172.1 | 60 | -104.8 | -1.1 | 111.8 | G320 F321 W322 R327 N328 | G320-R324 VanDerWaalsContact O-CB 3.29Å; G320-R324 WeakPolarHBondContact O-CB 3.22Å; G320-R324 PolarHBondContact O-N 2.93Å; G320-R324 VanDerWaalsContact O-N 3.1Å; F321-R324 PolarHBondContact O-N 2.83Å; W322-R324 PolarHBondContact O-N 2.83Å; R324-R327 PolarHBondContact O-N 3.08Å; R324-N328 WeakPolarHBondContact O-CB 3.23Å; R324-N328 PolarHBondContact O-N 3.34Å; R324-N328 PolarHBondContact O-OD1 2.88Å |
| 325 | F | 98.1 | Very high | 98.2 | Very high | 5 Ų | 5 | 37.8 Ų | 37.8 | 2% | 0.022 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -67.2 | -43.1 | 179.4 | -176.4 | -133.6 | 0 | 0 | 0 | 112 | M133 Q195 L198 F203 F321 W322 M323 N328 T329 | M133-F325 HydrophobicContact CE-CD1 4.19Å; M133-F325 HydrophobicContact CE-CE1 3.41Å; M133-F325 VanDerWaalsContact CE-CE1 3.41Å; M133-F325 HydrophobicContact CE-CZ 3.87Å; M133-F325 HydrophobicContact CG-CE1 4.06Å; M133-F325 HydrophobicContact SD-CE1 3.79Å; M133-F325 HydrophobicContact SD-CZ 4.07Å; Q195-F325 HydrophobicContact CB-CE1 4.31Å; Q195-F325 HydrophobicContact CB-CZ 3.7Å; Q195-F325 VanDerWaalsContact CD-CE1 3.47Å; Q195-F325 HydrophobicContact CG-CE1 3.9Å; Q195-F325 HydrophobicContact CG-CE2 4.29Å; Q195-F325 HydrophobicContact CG-CZ 3.58Å; L198-F325 HydrophobicContact CB-CE2 3.83Å; L198-F325 HydrophobicContact CD1-CD2 4.34Å; L198-F325 HydrophobicContact CD1-CE2 3.89Å; F203-F325 AromaticContact CD1-CD2 3.79Å; F203-F325 HydrophobicContact CD1-CD2 3.79Å; F203-F325 AromaticContact CD1-CE2 3.69Å; F203-F325 HydrophobicContact CD1-CE2 3.69Å; F203-F325 HydrophobicContact CD1-CZ 4.32Å; F203-F325 HydrophobicContact CE1-CD2 4.3Å; F203-F325 HydrophobicContact CE1-CE2 4.02Å; F203-F325 HydrophobicContact CE1-CZ 4.2Å; F321-F325 HydrophobicContact CZ-CB 4.39Å; F321-F325 HydrophobicContact CZ-CD1 4.47Å; F321-F325 HydrophobicContact CZ-CG 4.44Å; F321-F325 WeakPolarHBondContact O-CB 3.47Å; F321-F325 PolarHBondContact O-N 3Å; W322-F325 PolarHBondContact O-N 3.07Å; M323-F325 VanDerWaalsContact C-N 3.33Å; M323-F325 PolarHBondContact O-N 2.99Å; F325-N328 PolarHBondContact O-N 2.92Å; F325-T329 WeakPolarHBondContact O-CB 3.46Å; F325-T329 PolarHBondContact O-N 3.22Å; F325-T329 PolarHBondContact O-OG1 3.37Å |
| 326 | S | 98.7 | Very high | 98.4 | Very high | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.007 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.6 | -43 | 172.9 | -49.9 | 0 | 0 | 0 | 0 | 112 | D128 W322 M323 N328 T329 Q330 | D128-S326 WeakPolarHBondContact OD2-CB 3.29Å; D128-S326 PolarHBondContact OD2-OG 2.84Å; W322-S326 PolarHBondContact O-N 2.84Å; W322-S326 PolarHBondContact O-OG 2.83Å; M323-S326 PolarHBondContact O-N 2.96Å; S326-N328 PolarHBondContact O-N 2.85Å; S326-T329 PolarHBondContact O-N 2.8Å; S326-Q330 PolarHBondContact O-N 2.8Å |
| 327 | R | 98.4 | Very high | 98.4 | Very high | 62 Ų | 62 | 35.9 Ų | 35.9 | 23% | 0.234 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.4 | -48.2 | 176.4 | -169.4 | -173.3 | -174.8 | -91.8 | -5.2 | 111.3 | V109 F112 D113 M323 R324 T329 Q330 L331 R352 | V109-R327 HydrophobicContact CG2-CG 3.75Å; F112-R327 HydrophobicContact CD1-CB 3.89Å; F112-R327 HydrophobicContact CD1-CG 4.18Å; F112-R327 HydrophobicContact CE1-CB 3.79Å; D113-R327 WeakPolarHBondContact OD1-CD 3.39Å; D113-R327 IonicContact OD1-CZ 3.53Å; D113-R327 IonicContact OD1-NE 2.74Å; D113-R327 PolarHBondContact OD1-NE 3.27Å; D113-R327 IonicContact OD1-NH2 2.89Å; D113-R327 IonicContact OD2-CZ 2.79Å; D113-R327 IonicContact OD2-NE 3.47Å; D113-R327 IonicContact OD2-NH2 3.8Å; D113-R327 PolarHBondContact OD2-NH2 2.83Å; M323-R327 WeakPolarHBondContact O-CB 3.37Å; M323-R327 PolarHBondContact O-N 2.81Å; R324-R327 PolarHBondContact O-N 3.08Å; R327-T329 VanDerWaalsContact C-N 3.31Å; R327-T329 PolarHBondContact O-N 2.82Å; R327-Q330 PolarHBondContact O-N 2.84Å; R327-L331 WeakPolarHBondContact O-CB 3.03Å; R327-L331 PolarHBondContact O-N 2.79Å; R327-R352 PolarHBondContact NH1-OXT 3.48Å; R327-R352 VanDerWaalsContact NH1-OXT 3.12Å; R327-R352 PolarHBondContact NH2-OXT 3.39Å |
| 328 | N | 98.3 | Very high | 98.4 | Very high | 23 Ų | 23 | 29.6 Ų | 29.6 | 12% | 0.123 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -62.2 | -39.4 | 178.3 | -73.9 | -0.7 | 0 | 0 | 0 | 111.8 | L198 L205 R324 F325 S326 L332 | L198-N328 HydrophobicContact CD1-CB 4.34Å; L205-N328 HydrophobicContact CD2-CB 3.86Å; L205-N328 HydrophobicContact CG-CB 4.36Å; R324-N328 WeakPolarHBondContact O-CB 3.23Å; R324-N328 PolarHBondContact O-N 3.34Å; R324-N328 PolarHBondContact O-OD1 2.88Å; F325-N328 PolarHBondContact O-N 2.92Å; S326-N328 PolarHBondContact O-N 2.85Å; N328-L332 WeakPolarHBondContact O-CG 3.14Å; N328-L332 PolarHBondContact O-N 2.91Å |
| 329 | T | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -64.2 | -47.1 | 176 | -54.8 | 0 | 0 | 0 | 0 | 110.9 | W191 I194 Q195 F325 S326 R327 L331 L332 V333 | W191-T329 HydrophobicContact CD2-CG2 3.58Å; W191-T329 HydrophobicContact CE3-CG2 3.67Å; W191-T329 HydrophobicContact CG-CG2 4.17Å; W191-T329 HydrophobicContact CH2-CG2 3.87Å; W191-T329 HydrophobicContact CZ2-CG2 3.82Å; W191-T329 HydrophobicContact CZ3-CG2 3.81Å; I194-T329 HydrophobicContact CB-CG2 4.27Å; I194-T329 HydrophobicContact CG2-CG2 3.83Å; Q195-T329 HydrophobicContact CG-CG2 3.64Å; Q195-T329 WeakPolarHBondContact CG-OG1 3.4Å; F325-T329 WeakPolarHBondContact O-CB 3.46Å; F325-T329 PolarHBondContact O-N 3.22Å; F325-T329 PolarHBondContact O-OG1 3.37Å; S326-T329 PolarHBondContact O-N 2.8Å; R327-T329 VanDerWaalsContact C-N 3.31Å; R327-T329 PolarHBondContact O-N 2.82Å; T329-L331 PolarHBondContact O-N 2.86Å; T329-L332 PolarHBondContact O-N 3.23Å; T329-V333 WeakPolarHBondContact O-CG2 3.29Å; T329-V333 PolarHBondContact O-N 3Å |
| 330 | Q | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -63.3 | -41.3 | 178 | -173 | 63.9 | 56.9 | 0 | 0 | 111.9 | V105 A106 V109 W191 S326 R327 L332 V333 D334 | V105-Q330 HydrophobicContact CG2-CB 4.02Å; V105-Q330 HydrophobicContact CG2-CG 4.25Å; A106-Q330 PolarHBondContact O-OE1 2.89Å; V109-Q330 HydrophobicContact CB-CG 4.28Å; W191-Q330 HydrophobicContact CH2-CB 4.4Å; W191-Q330 HydrophobicContact CZ3-CB 4.09Å; S326-Q330 PolarHBondContact O-N 2.8Å; R327-Q330 PolarHBondContact O-N 2.84Å; Q330-L332 PolarHBondContact O-N 2.68Å; Q330-V333 WeakPolarHBondContact O-CB 3.35Å; Q330-V333 PolarHBondContact O-N 2.86Å; Q330-V333 VanDerWaalsContact O-N 3.13Å; Q330-D334 PolarHBondContact NE2-OD1 2.84Å; Q330-D334 VanDerWaalsContact O-CG 3.25Å; Q330-D334 PolarHBondContact O-N 2.81Å |
| 331 | L | 98.6 | Very high | 98.4 | Very high | 2 Ų | 2 | 27.8 Ų | 27.8 | 1% | 0.01 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -56.3 | -40 | 175 | 177.4 | 60.4 | 0 | 0 | 0 | 111.9 | V109 L205 R327 T329 D334 A335 L349 R352 | V109-L331 HydrophobicContact CG1-CD1 4.3Å; V109-L331 HydrophobicContact CG2-CB 4.28Å; L205-L331 HydrophobicContact CD1-CD2 4.06Å; L205-L331 HydrophobicContact CD2-CD2 4.48Å; R327-L331 WeakPolarHBondContact O-CB 3.03Å; R327-L331 PolarHBondContact O-N 2.79Å; T329-L331 PolarHBondContact O-N 2.86Å; L331-D334 PolarHBondContact O-N 2.87Å; L331-A335 WeakPolarHBondContact O-CB 3.47Å; L331-A335 PolarHBondContact O-N 2.82Å; L331-L349 HydrophobicContact CD1-CD2 4.38Å; L331-L349 HydrophobicContact CG-CD2 4.24Å; L331-R352 HydrophobicContact CD1-CB 3.87Å; L331-R352 HydrophobicContact CD2-CB 4.28Å |
| 332 | L | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -73.3 | -36.6 | 176.9 | -68.3 | -171.9 | 0 | 0 | 0 | 112.8 | I194 L198 L205 P206 V209 F230 N328 T329 Q330 D334 A335 V336 L349 | I194-L332 HydrophobicContact CD1-CB 4.27Å; I194-L332 HydrophobicContact CG2-CB 3.6Å; I194-L332 HydrophobicContact CG2-CD1 3.69Å; I194-L332 HydrophobicContact CG2-CG 4.23Å; L198-L332 HydrophobicContact CD1-CD1 3.99Å; L198-L332 HydrophobicContact CD2-CD1 3.82Å; L198-L332 HydrophobicContact CG-CD1 3.92Å; L205-L332 HydrophobicContact CD2-CD1 4.23Å; L205-L332 HydrophobicContact CD2-CD2 4.08Å; L205-L332 HydrophobicContact CD2-CG 4.03Å; P206-L332 HydrophobicContact CG-CD1 4.25Å; P206-L332 HydrophobicContact CG-CD2 3.67Å; V209-L332 HydrophobicContact CG2-CD2 3.88Å; F230-L332 HydrophobicContact CD1-CD1 4.3Å; F230-L332 HydrophobicContact CD1-CD2 4.26Å; F230-L332 HydrophobicContact CE1-CB 4.1Å; F230-L332 HydrophobicContact CE1-CD1 4.17Å; F230-L332 HydrophobicContact CE1-CD2 4.2Å; F230-L332 HydrophobicContact CE1-CG 4.38Å; N328-L332 WeakPolarHBondContact O-CG 3.14Å; N328-L332 PolarHBondContact O-N 2.91Å; T329-L332 PolarHBondContact O-N 3.23Å; Q330-L332 PolarHBondContact O-N 2.68Å; L332-D334 VanDerWaalsContact C-N 3.3Å; L332-D334 PolarHBondContact O-N 2.84Å; L332-A335 PolarHBondContact O-N 3.47Å; L332-V336 WeakPolarHBondContact O-CG2 3.46Å; L332-V336 PolarHBondContact O-N 3.19Å; L332-L349 HydrophobicContact CD2-CD1 3.3Å |
| 333 | V | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -57.1 | -47.6 | 170.2 | 165.6 | 0 | 0 | 0 | 0 | 110.1 | L183 L186 W191 I194 T329 Q330 A335 V336 K337 | L183-V333 HydrophobicContact CD1-CG1 4.05Å; L183-V333 HydrophobicContact CD2-CG1 4.41Å; L186-V333 HydrophobicContact CD2-CG1 4.26Å; L186-V333 HydrophobicContact CG-CG1 4.12Å; W191-V333 HydrophobicContact CE3-CG2 4.1Å; I194-V333 HydrophobicContact CD1-CB 4.39Å; I194-V333 HydrophobicContact CD1-CG2 3.56Å; T329-V333 WeakPolarHBondContact O-CG2 3.29Å; T329-V333 PolarHBondContact O-N 3Å; Q330-V333 WeakPolarHBondContact O-CB 3.35Å; Q330-V333 PolarHBondContact O-N 2.86Å; Q330-V333 VanDerWaalsContact O-N 3.13Å; V333-A335 PolarHBondContact O-N 3.26Å; V333-V336 PolarHBondContact O-N 3.07Å; V333-K337 PolarHBondContact O-N 3Å |
| 334 | D | 98.6 | Very high | 98.3 | Very high | 23 Ų | 23 | 37.3 Ų | 37.3 | 12% | 0.123 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63 | -42.9 | 179.2 | -65.4 | 1.4 | 0 | 0 | 0 | 111.5 | N108 V109 Q330 L331 L332 V336 K337 E338 | N108-D334 WeakPolarHBondContact CA-OD1 3.37Å; N108-D334 WeakPolarHBondContact CA-OD2 3.32Å; N108-D334 WeakPolarHBondContact CB-OD2 3.13Å; V109-D334 WeakPolarHBondContact CB-OD2 3.27Å; V109-D334 WeakPolarHBondContact CG1-OD2 3.26Å; V109-D334 PolarHBondContact N-OD2 2.77Å; Q330-D334 PolarHBondContact NE2-OD1 2.84Å; Q330-D334 VanDerWaalsContact O-CG 3.25Å; Q330-D334 PolarHBondContact O-N 2.81Å; L331-D334 PolarHBondContact O-N 2.87Å; L332-D334 VanDerWaalsContact C-N 3.3Å; L332-D334 PolarHBondContact O-N 2.84Å; D334-V336 PolarHBondContact O-N 2.83Å; D334-K337 PolarHBondContact O-N 3Å; D334-E338 WeakPolarHBondContact O-CB 3.26Å; D334-E338 PolarHBondContact O-N 3.21Å |
| 335 | A | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.7 | -38.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | V209 L331 L332 V333 S339 V347 L349 | V209-A335 HydrophobicContact CB-CB 3.94Å; V209-A335 HydrophobicContact CG1-CB 4.27Å; V209-A335 HydrophobicContact CG2-CB 3.92Å; L331-A335 WeakPolarHBondContact O-CB 3.47Å; L331-A335 PolarHBondContact O-N 2.82Å; L332-A335 PolarHBondContact O-N 3.47Å; V333-A335 PolarHBondContact O-N 3.26Å; A335-S339 WeakPolarHBondContact O-CB 3.42Å; A335-S339 PolarHBondContact O-N 3.46Å; A335-V347 HydrophobicContact CB-CB 4.23Å; A335-V347 HydrophobicContact CB-CG1 3.89Å; A335-V347 WeakPolarHBondContact O-CG2 3.26Å; A335-L349 HydrophobicContact CB-CD2 3.86Å |
| 336 | V | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.5 | -46 | 172.4 | 173.7 | 0 | 0 | 0 | 0 | 110.1 | L186 V209 A228 F230 I240 L332 V333 D334 S339 I340 | L186-V336 HydrophobicContact CD1-CB 4.06Å; L186-V336 HydrophobicContact CD1-CG1 3.73Å; L186-V336 HydrophobicContact CD2-CB 3.97Å; L186-V336 HydrophobicContact CD2-CG1 3.78Å; L186-V336 HydrophobicContact CG-CG1 4.42Å; V209-V336 HydrophobicContact CG1-CB 4.49Å; V209-V336 HydrophobicContact CG1-CG2 3.6Å; A228-V336 HydrophobicContact CB-CB 4.39Å; A228-V336 HydrophobicContact CB-CG1 3.98Å; A228-V336 HydrophobicContact CB-CG2 3.56Å; F230-V336 HydrophobicContact CE1-CG2 4.08Å; F230-V336 HydrophobicContact CZ-CG2 3.6Å; I240-V336 HydrophobicContact CD1-CG2 4.49Å; L332-V336 WeakPolarHBondContact O-CG2 3.46Å; L332-V336 PolarHBondContact O-N 3.19Å; V333-V336 PolarHBondContact O-N 3.07Å; D334-V336 PolarHBondContact O-N 2.83Å; V336-S339 PolarHBondContact O-N 2.76Å; V336-I340 HydrophobicContact CG1-CD1 4.19Å; V336-I340 WeakPolarHBondContact O-CG1 3.23Å; V336-I340 PolarHBondContact O-N 3.14Å |
| 337 | K | 98.2 | Very high | 98.3 | Very high | 67 Ų | 67 | 39.1 Ų | 39.1 | 29% | 0.291 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -62.8 | -46.3 | 179 | -166.8 | -165.2 | 179 | -50.7 | 0 | 111.8 | L183 L186 V333 D334 S339 I340 D341 | L183-K337 HydrophobicContact CD2-CD 4.4Å; L186-K337 HydrophobicContact CD2-CB 4.07Å; V333-K337 PolarHBondContact O-N 3Å; D334-K337 PolarHBondContact O-N 3Å; K337-S339 VanDerWaalsContact C-N 3.3Å; K337-S339 PolarHBondContact O-N 3.32Å; K337-I340 WeakPolarHBondContact O-CB 3.46Å; K337-I340 PolarHBondContact O-N 2.84Å; K337-I340 VanDerWaalsContact O-N 3.12Å; K337-D341 VanDerWaalsContact NZ-CG 3.29Å; K337-D341 IonicContact NZ-OD1 2.83Å; K337-D341 PolarHBondContact NZ-OD1 3.27Å; K337-D341 VanDerWaalsContact NZ-OD1 3.14Å; K337-D341 IonicContact NZ-OD2 3.87Å; K337-D341 PolarHBondContact NZ-OD2 3.47Å; K337-D341 VanDerWaalsContact O-CG 3.25Å; K337-D341 PolarHBondContact O-N 3.48Å |
| 338 | E | 98.2 | Very high | 98.2 | Very high | 57 Ų | 57 | 42 Ų | 42 | 27% | 0.266 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -59.3 | -40.7 | 177.3 | 178.7 | -179.5 | 165.6 | 0 | 0 | 111.2 | D334 D341 N342 V347 R352 | D334-E338 WeakPolarHBondContact O-CB 3.26Å; D334-E338 PolarHBondContact O-N 3.21Å; E338-D341 PolarHBondContact O-N 3.09Å; E338-N342 WeakPolarHBondContact CG-ND2 3.48Å; E338-N342 VanDerWaalsContact O-CB 3.24Å; E338-N342 WeakPolarHBondContact O-CB 3.18Å; E338-N342 PolarHBondContact O-N 2.86Å; E338-N342 PolarHBondContact O-ND2 3.19Å; E338-V347 HydrophobicContact CB-CG2 3.96Å; E338-V347 HydrophobicContact CG-CG2 3.75Å; E338-R352 IonicContact OE1-CZ 2.82Å; E338-R352 IonicContact OE1-NH1 3.46Å; E338-R352 IonicContact OE1-NH2 3.55Å; E338-R352 PolarHBondContact OE1-NH2 2.78Å; E338-R352 IonicContact OE2-CZ 3.14Å; E338-R352 IonicContact OE2-NH1 3.55Å; E338-R352 PolarHBondContact OE2-NH1 3.05Å; E338-R352 IonicContact OE2-NH2 3.42Å; E338-R352 PolarHBondContact OE2-NH2 2.72Å; E338-R352 VanDerWaalsContact OE2-NH2 3.11Å |
| 339 | S | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64.3 | -41.4 | 174.9 | -171.4 | 0 | 0 | 0 | 0 | 111.9 | A211 A335 V336 K337 N342 L344 E345 | A211-S339 PolarHBondContact N-OG 3.36Å; A335-S339 WeakPolarHBondContact O-CB 3.42Å; A335-S339 PolarHBondContact O-N 3.46Å; V336-S339 PolarHBondContact O-N 2.76Å; K337-S339 VanDerWaalsContact C-N 3.3Å; K337-S339 PolarHBondContact O-N 3.32Å; S339-N342 CarbonylContact O-C 3.36Å; S339-N342 PolarHBondContact O-N 2.96Å; S339-L344 WeakPolarHBondContact O-CA 3.43Å; S339-L344 PolarHBondContact O-N 3.24Å; S339-E345 WeakPolarHBondContact CB-O 3.34Å; S339-E345 PolarHBondContact OG-O 2.96Å |
| 340 | I | 98.2 | Very high | 97.5 | Very high | 21 Ų | 21 | 46.4 Ų | 46.4 | 11% | 0.108 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.3 | -49.5 | 173.9 | -66.7 | 169.1 | 0 | 0 | 0 | 110.8 | A211 L217 V223 C226 V336 K337 N342 N343 | A211-I340 HydrophobicContact CB-CB 4.5Å; A211-I340 HydrophobicContact CB-CD1 4.47Å; A211-I340 HydrophobicContact CB-CG1 3.49Å; A211-I340 VanDerWaalsContact CB-CG1 3.49Å; L217-I340 HydrophobicContact CD1-CG2 4.3Å; V223-I340 HydrophobicContact CG2-CD1 4.22Å; C226-I340 HydrophobicContact CB-CD1 3.82Å; V336-I340 HydrophobicContact CG1-CD1 4.19Å; V336-I340 WeakPolarHBondContact O-CG1 3.23Å; V336-I340 PolarHBondContact O-N 3.14Å; K337-I340 WeakPolarHBondContact O-CB 3.46Å; K337-I340 PolarHBondContact O-N 2.84Å; K337-I340 VanDerWaalsContact O-N 3.12Å; I340-N342 PolarHBondContact O-N 3.47Å; I340-N343 PolarHBondContact O-N 3.46Å |
| 341 | D | 97.1 | Very high | 96.4 | Very high | 87 Ų | 87 | 50.6 Ų | 50.6 | 47% | 0.465 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -64.7 | -31.3 | -177.2 | -64.4 | -19.7 | 0 | 0 | 0 | 111.7 | K337 E338 N343 | K337-D341 VanDerWaalsContact NZ-CG 3.29Å; K337-D341 IonicContact NZ-OD1 2.83Å; K337-D341 PolarHBondContact NZ-OD1 3.27Å; K337-D341 VanDerWaalsContact NZ-OD1 3.14Å; K337-D341 IonicContact NZ-OD2 3.87Å; K337-D341 PolarHBondContact NZ-OD2 3.47Å; K337-D341 VanDerWaalsContact O-CG 3.25Å; K337-D341 PolarHBondContact O-N 3.48Å; E338-D341 PolarHBondContact O-N 3.09Å; D341-N343 PolarHBondContact O-N 2.93Å |
| 342 | N | 97.5 | Very high | 95.6 | Very high | 82 Ų | 82 | 56.5 Ų | 56.5 | 44% | 0.439 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | 34.5 | -179.9 | -67.6 | -31.6 | 0 | 0 | 0 | 113.4 | E338 S339 I340 L344 E345 | E338-N342 WeakPolarHBondContact CG-ND2 3.48Å; E338-N342 VanDerWaalsContact O-CB 3.24Å; E338-N342 WeakPolarHBondContact O-CB 3.18Å; E338-N342 PolarHBondContact O-N 2.86Å; E338-N342 PolarHBondContact O-ND2 3.19Å; S339-N342 CarbonylContact O-C 3.36Å; S339-N342 PolarHBondContact O-N 2.96Å; I340-N342 PolarHBondContact O-N 3.47Å; N342-L344 VanDerWaalsContact C-N 3.33Å; N342-L344 PolarHBondContact O-N 3.11Å; N342-E345 HydrophobicContact CB-CB 4.37Å; N342-E345 WeakPolarHBondContact O-CB 3.09Å; N342-E345 VanDerWaalsContact O-CG 3.27Å; N342-E345 WeakPolarHBondContact O-CG 3.12Å; N342-E345 PolarHBondContact O-N 3.22Å |
| 343 | N | 96.7 | Very high | 95.5 | Very high | 145 Ų | 145 | 59.4 Ų | 59.4 | 78% | 0.775 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56 | 40.6 | 176.2 | -61.8 | -52.5 | 0 | 0 | 0 | 114.7 | I340 D341 E345 | I340-N343 PolarHBondContact O-N 3.46Å; D341-N343 PolarHBondContact O-N 2.93Å; N343-E345 VanDerWaalsContact C-N 3.27Å; N343-E345 PolarHBondContact O-N 2.89Å |
| 344 | L | 97.7 | Very high | 95.3 | Very high | 65 Ų | 65 | 62.5 Ų | 62.5 | 34% | 0.34 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.2 | 19.5 | 177.2 | -41.2 | 174.9 | 0 | 0 | 0 | 114.3 | T210 A211 S339 N342 | T210-L344 VanDerWaalsContact CG2-O 3.31Å; T210-L344 WeakPolarHBondContact CG2-O 3.36Å; A211-L344 HydrophobicContact CB-CD2 3.85Å; S339-L344 WeakPolarHBondContact O-CA 3.43Å; S339-L344 PolarHBondContact O-N 3.24Å; N342-L344 VanDerWaalsContact C-N 3.33Å; N342-L344 PolarHBondContact O-N 3.11Å |
| 345 | E | 98.1 | Very high | 95.1 | Very high | 125 Ų | 125 | 64.7 Ų | 64.7 | 58% | 0.584 | 35% | 0.354 | S | S | * | . | P | Polyproline II helix | trans | -64.9 | 144.1 | 171.9 | -72.2 | -63.3 | 146.1 | 0 | 0 | 111.1 | S339 N342 N343 | S339-E345 WeakPolarHBondContact CB-O 3.34Å; S339-E345 PolarHBondContact OG-O 2.96Å; N342-E345 HydrophobicContact CB-CB 4.37Å; N342-E345 WeakPolarHBondContact O-CB 3.09Å; N342-E345 VanDerWaalsContact O-CG 3.27Å; N342-E345 WeakPolarHBondContact O-CG 3.12Å; N342-E345 PolarHBondContact O-N 3.22Å; N343-E345 VanDerWaalsContact C-N 3.27Å; N343-E345 PolarHBondContact O-N 2.89Å |
| 346 | P | 97.9 | Very high | 94.9 | Very high | 58 Ų | 58 | 68.5 Ų | 68.5 | 38% | 0.377 | 38% | 0.375 | S | S | . | . | P | Polyproline II helix | trans | -64 | 134.2 | 175.4 | -21.6 | 33.2 | 0 | 0 | 0 | 112.5 | F348 | P346-F348 HydrophobicContact CB-CE2 4.34Š|
| 347 | V | 98.5 | Very high | 94.6 | Very high | 5 Ų | 5 | 72.8 Ų | 72.8 | 3% | 0.03 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 120.3 | 173.9 | -180 | 0 | 0 | 0 | 0 | 109.4 | T208 V209 A335 E338 | T208-V347 VanDerWaalsContact CA-O 3.31Å; T208-V347 WeakPolarHBondContact CA-O 3.23Å; V209-V347 PolarHBondContact N-O 2.96Å; V209-V347 PolarHBondContact O-N 2.78Å; A335-V347 HydrophobicContact CB-CB 4.23Å; A335-V347 HydrophobicContact CB-CG1 3.89Å; A335-V347 WeakPolarHBondContact O-CG2 3.26Å; E338-V347 HydrophobicContact CB-CG2 3.96Å; E338-V347 HydrophobicContact CG-CG2 3.75Å |
| 348 | F | 97.9 | Very high | 94.4 | Very high | 122 Ų | 122 | 73.1 Ų | 73.1 | 54% | 0.535 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 130.6 | 177.9 | -64.3 | -94.9 | 0 | 0 | 0 | 110.9 | T208 P346 | T208-F348 HydrophobicContact CG2-CD1 3.46Å; T208-F348 VanDerWaalsContact CG2-CD1 3.46Å; T208-F348 HydrophobicContact CG2-CE1 3.52Å; T208-F348 HydrophobicContact CG2-CG 4.18Å; T208-F348 HydrophobicContact CG2-CZ 4.28Å; P346-F348 HydrophobicContact CB-CE2 4.34Å |
| 349 | L | 96.3 | Very high | 94.1 | Very high | 13 Ų | 13 | 74.3 Ų | 74.3 | 7% | 0.068 | 42% | 0.416 | C | S | . | . | trans | -93.7 | -2.1 | -177.5 | -59.9 | -177.5 | 0 | 0 | 0 | 113.9 | P206 K207 V209 L331 L332 A335 G351 R352 | P206-L349 HydrophobicContact CG-CD1 3.93Å; P206-L349 WeakPolarHBondContact O-CD1 3.48Å; K207-L349 PolarHBondContact O-N 3.2Å; V209-L349 HydrophobicContact CG2-CD1 4.03Å; V209-L349 HydrophobicContact CG2-CG 4.46Å; L331-L349 HydrophobicContact CD1-CD2 4.38Å; L331-L349 HydrophobicContact CG-CD2 4.24Å; L332-L349 HydrophobicContact CD2-CD1 3.3Å; A335-L349 HydrophobicContact CB-CD2 3.86Å; L349-G351 PolarHBondContact O-N 3.27Å; L349-G351 VanDerWaalsContact O-N 3.09Å; L349-R352 PolarHBondContact O-N 3.05Å | ||
| 350 | S | 85.7 | Confident | 93.8 | Very high | 102 Ų | 102 | 80 Ų | 80 | 71% | 0.713 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | 113.7 | 177.3 | 54.6 | 0 | 0 | 0 | 0 | 111.2 | ||
| 351 | G | 76.1 | Confident | 93.4 | Very high | 88 Ų | 88 | 84.9 Ų | 84.9 | 91% | 0.907 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92.4 | 12.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 116 | L349 | L349-G351 PolarHBondContact O-N 3.27Å; L349-G351 VanDerWaalsContact O-N 3.09Å |
| 352 | R | 81.5 | Confident | 93.1 | Very high | 127 Ų | 127 | 84.7 Ų | 84.7 | 48% | 0.479 | 48% | 0.477 | S | S | . | . | trans | -105.6 | 0 | 175.2 | -58 | -170.1 | -178.8 | -155.2 | 6 | 113 | R327 L331 E338 L349 | R327-R352 PolarHBondContact NH1-OXT 3.48Å; R327-R352 VanDerWaalsContact NH1-OXT 3.12Å; R327-R352 PolarHBondContact NH2-OXT 3.39Å; L331-R352 HydrophobicContact CD1-CB 3.87Å; L331-R352 HydrophobicContact CD2-CB 4.28Å; E338-R352 IonicContact OE1-CZ 2.82Å; E338-R352 IonicContact OE1-NH1 3.46Å; E338-R352 IonicContact OE1-NH2 3.55Å; E338-R352 PolarHBondContact OE1-NH2 2.78Å; E338-R352 IonicContact OE2-CZ 3.14Å; E338-R352 IonicContact OE2-NH1 3.55Å; E338-R352 PolarHBondContact OE2-NH1 3.05Å; E338-R352 IonicContact OE2-NH2 3.42Å; E338-R352 PolarHBondContact OE2-NH2 2.72Å; E338-R352 VanDerWaalsContact OE2-NH2 3.11Å; L349-R352 PolarHBondContact O-N 3.05Å |
Retrieved 352 of 352 residues in 1470.2 ms
(Link to these results)