| 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 | 79.2 | Confident | 90.6 | Very high | 50 Ų | 50 | 76.5 Ų | 76.5 | 25% | 0.246 | 39% | 0.386 | C | S | . | . | 0 | -14.9 | 0 | -83.1 | -75.1 | -65.3 | 0 | 0 | 112.1 | D3 Y4 M32 L70 Q72 | M1-D3 VanDerWaalsContact C-N 3.27Å; M1-D3 PolarHBondContact O-N 3.06Å; M1-Y4 PolarHBondContact O-N 3.49Å; M1-M32 HydrophobicContact CE-CE 4.35Å; M1-M32 HydrophobicContact SD-CE 3.31Å; M1-M32 WeakPolarHBondContact SD-CE 3.43Å; M1-L70 HydrophobicContact CG-CD1 4.48Å; M1-Q72 HydrophobicContact CG-CB 4.27Å | |||
| 2 | E | 83.8 | Confident | 89.9 | Confident | 169 Ų | 169 | 79 Ų | 79 | 79% | 0.79 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -34.9 | 173.5 | -60.1 | -170.8 | 163.7 | 0 | 0 | 112.8 | Y4 K24 | E2-Y4 PolarHBondContact O-N 2.93Å; E2-K24 VanDerWaalsContact O-CD 3.24Å; E2-K24 WeakPolarHBondContact O-CD 3.27Å; E2-K24 WeakPolarHBondContact O-CE 3.34Å; E2-K24 PolarHBondContact O-NZ 3.27Å |
| 3 | D | 92.1 | Very high | 88.4 | Confident | 80 Ų | 80 | 76.1 Ų | 76.1 | 43% | 0.428 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -5.2 | -179.8 | -55.5 | -57.4 | 0 | 0 | 0 | 115.2 | M1 H23 K24 | M1-D3 VanDerWaalsContact C-N 3.27Å; M1-D3 PolarHBondContact O-N 3.06Å; D3-H23 CarbonylContact O-C 3.58Å; D3-H23 WeakPolarHBondContact O-CA 3.49Å; D3-K24 WeakPolarHBondContact O-CG 3.42Å; D3-K24 PolarHBondContact O-N 3.28Å |
| 4 | Y | 94.8 | Very high | 86.9 | Confident | 16 Ų | 16 | 77.9 Ų | 77.9 | 6% | 0.063 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 141.4 | -172.3 | -62.9 | -89.4 | 0 | 0 | 0 | 112.1 | M1 E2 R22 H23 V30 M32 L70 I79 | M1-Y4 PolarHBondContact O-N 3.49Å; E2-Y4 PolarHBondContact O-N 2.93Å; Y4-R22 CarbonylContact C-O 3.42Å; Y4-R22 WeakPolarHBondContact CA-O 3.34Å; Y4-H23 HydrophobicContact CD1-CB 4.17Å; Y4-H23 HydrophobicContact CE1-CB 4Å; Y4-H23 AromaticContact CE1-CD2 3.58Å; Y4-H23 AromaticContact CZ-CD2 3.6Å; Y4-V30 HydrophobicContact CD1-CG2 3.73Å; Y4-V30 HydrophobicContact CE1-CG1 4.19Å; Y4-V30 HydrophobicContact CE1-CG2 3.89Å; Y4-M32 HydrophobicContact CD1-CE 4.45Å; Y4-M32 HydrophobicContact CG-CE 3.96Å; Y4-L70 HydrophobicContact CD2-CD1 3.62Å; Y4-L70 HydrophobicContact CE2-CD1 3.7Å; Y4-I79 HydrophobicContact CE1-CG2 3.68Å; Y4-I79 HydrophobicContact CE2-CG1 4.34Å |
| 5 | T | 94.6 | Very high | 85.9 | Confident | 72 Ų | 72 | 76.7 Ų | 76.7 | 44% | 0.442 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 120.1 | 170.2 | -58.4 | 0 | 0 | 0 | 0 | 108.7 | G21 R22 K24 | T5-G21 CarbonylContact O-C 3.59Å; T5-G21 WeakPolarHBondContact O-CA 3.31Å; T5-R22 PolarHBondContact N-O 2.85Å; T5-R22 PolarHBondContact O-N 3.38Å; T5-K24 VanDerWaalsContact OG1-CE 3.31Å; T5-K24 WeakPolarHBondContact OG1-CE 3.25Å |
| 6 | K | 94.7 | Very high | 85.6 | Confident | 76 Ų | 76 | 72 Ų | 72 | 33% | 0.33 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 133.7 | 172 | 179.4 | 179 | -79 | -172.2 | 0 | 109.4 | Y19 | K6-Y19 HydrophobicContact CD-CD1 3.42Å; K6-Y19 VanDerWaalsContact CD-CD1 3.42Å; K6-Y19 HydrophobicContact CD-CD2 4.37Å; K6-Y19 HydrophobicContact CD-CE1 3.8Å; K6-Y19 HydrophobicContact CD-CG 3.74Å; K6-Y19 VanDerWaalsContact CE-CD1 3.42Å; K6-Y19 VanDerWaalsContact CE-CD2 3.43Å; K6-Y19 HydrophobicContact CG-CD1 3.97Å; K6-Y19 HydrophobicContact CG-CG 4.13Å; K6-Y19 VanDerWaalsContact NZ-CD2 3.29Å; K6-Y19 VanDerWaalsContact NZ-CE1 3.33Å |
| 7 | I | 94.9 | Very high | 85.7 | Confident | 81 Ų | 81 | 68.8 Ų | 68.8 | 42% | 0.415 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | -66.4 | -177.9 | -60.4 | 171.8 | 0 | 0 | 0 | 110 | K20 R22 | I7-K20 WeakPolarHBondContact CB-O 3.47Å; I7-K20 HydrophobicContact CD1-CG 4.41Å; I7-K20 PolarHBondContact N-O 2.72Å; I7-R22 HydrophobicContact CD1-CB 3.97Å |
| 8 | E | 94.8 | Very high | 86.1 | Confident | 96 Ų | 96 | 66.8 Ų | 66.8 | 45% | 0.449 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 156 | -173.2 | 61.6 | -176.1 | 143.8 | 0 | 0 | 111.1 | I10 Y19 K20 | E8-I10 HydrophobicContact CG-CG2 3.89Å; E8-Y19 CarbonylContact O-C 3.53Å; E8-Y19 VanDerWaalsContact O-CA 3.23Å; E8-Y19 WeakPolarHBondContact O-CA 3.35Å; E8-K20 HydrophobicContact CG-CB 3.89Å; E8-K20 HydrophobicContact CG-CD 4.17Å; E8-K20 PolarHBondContact N-O 3.22Å; E8-K20 PolarHBondContact O-N 3.39Å; E8-K20 WeakPolarHBondContact OE1-CD 3.45Å; E8-K20 IonicContact OE1-NZ 2.68Å; E8-K20 PolarHBondContact OE1-NZ 2.92Å |
| 9 | K | 94.3 | Very high | 86.5 | Confident | 112 Ų | 112 | 65.6 Ų | 65.6 | 49% | 0.487 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 124.3 | 170.6 | -179.9 | -179.3 | 172.8 | -178 | 0 | 108.1 | E12 V17 Y19 | K9-E12 IonicContact NZ-OE2 2.89Å; K9-E12 PolarHBondContact NZ-OE2 3.08Å; K9-V17 HydrophobicContact CD-CG1 3.88Å; K9-V17 HydrophobicContact CG-CG1 3.82Å; K9-Y19 HydrophobicContact CB-CD1 3.91Å; K9-Y19 HydrophobicContact CB-CE1 3.9Å; K9-Y19 HydrophobicContact CG-CD1 4.46Å; K9-Y19 HydrophobicContact CG-CE1 4.26Å |
| 10 | I | 89.5 | Confident | 86.9 | Confident | 63 Ų | 63 | 65.1 Ų | 65.1 | 32% | 0.323 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | -13.7 | -177.7 | 59.2 | 175.9 | 0 | 0 | 0 | 113.4 | E8 V18 K20 F82 | E8-I10 HydrophobicContact CG-CG2 3.89Å; I10-V18 HydrophobicContact CD1-CG1 3.79Å; I10-V18 HydrophobicContact CG1-CB 4.07Å; I10-V18 HydrophobicContact CG1-CG1 3.76Å; I10-V18 WeakPolarHBondContact CG1-O 3.49Å; I10-V18 PolarHBondContact N-O 2.95Å; I10-K20 HydrophobicContact CD1-CB 4.33Å; I10-K20 HydrophobicContact CG2-CB 3.73Å; I10-F82 HydrophobicContact CD1-CD2 4.17Å; I10-F82 HydrophobicContact CD1-CE2 3.73Å |
| 11 | G | 83.6 | Confident | 87.4 | Confident | 27 Ų | 27 | 62 Ų | 62 | 28% | 0.278 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.5 | 159.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | V17 V18 | G11-V17 WeakPolarHBondContact O-CG1 3.3Å; G11-V18 PolarHBondContact N-O 3.15Å; G11-V18 PolarHBondContact O-N 3.28Å |
| 12 | E | 82.5 | Confident | 88.2 | Confident | 106 Ų | 106 | 65.6 Ų | 65.6 | 50% | 0.495 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 132.3 | 168.1 | 178.1 | 167.8 | -176.5 | 0 | 0 | 107.7 | K9 V17 R36 | K9-E12 IonicContact NZ-OE2 2.89Å; K9-E12 PolarHBondContact NZ-OE2 3.08Å; E12-V17 HydrophobicContact CG-CG2 4.11Å; E12-R36 IonicContact OE1-CZ 3.6Å; E12-R36 IonicContact OE1-NH2 2.74Å; E12-R36 PolarHBondContact OE1-NH2 3.3Å |
| 13 | G | 70.5 | Confident | 88.8 | Confident | 41 Ų | 41 | 59.1 Ų | 59.1 | 42% | 0.423 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | -176.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y15 G16 | G13-Y15 PolarHBondContact O-N 2.94Å; G13-Y15 VanDerWaalsContact O-N 3.12Å; G13-G16 PolarHBondContact N-O 3.39Å; G13-G16 PolarHBondContact O-N 2.73Å; G13-G16 VanDerWaalsContact O-O 3.1Å |
| 14 | T | 67.2 | Low | 89 | Confident | 102 Ų | 102 | 61 Ų | 61 | 63% | 0.626 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | -38 | -178.3 | -48 | 0 | 0 | 0 | 0 | 112.8 | ||
| 15 | Y | 71.9 | Confident | 89 | Confident | 59 Ų | 59 | 65.6 Ų | 65.6 | 23% | 0.231 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -0.9 | -174 | -50.8 | -65.4 | 0 | 0 | 0 | 114.2 | G13 I35 R36 L149 A150 | G13-Y15 PolarHBondContact O-N 2.94Å; G13-Y15 VanDerWaalsContact O-N 3.12Å; Y15-I35 WeakPolarHBondContact O-CA 3.5Å; Y15-R36 PolarHBondContact O-N 3.14Å; Y15-R36 VanDerWaalsContact O-N 3.11Å; Y15-L149 HydrophobicContact CG-CB 4.45Å; Y15-A150 HydrophobicContact CE1-CB 4.1Å |
| 16 | G | 80.8 | Confident | 89 | Confident | 2 Ų | 2 | 66.5 Ų | 66.5 | 2% | 0.021 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 133.9 | -156.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | G13 K34 | G13-G16 PolarHBondContact N-O 3.39Å; G13-G16 PolarHBondContact O-N 2.73Å; G13-G16 VanDerWaalsContact O-O 3.1Å; G16-K34 CarbonylContact C-O 3.38Å; G16-K34 WeakPolarHBondContact CA-O 3.4Å |
| 17 | V | 88.4 | Confident | 89 | Confident | 18 Ų | 18 | 64.5 Ų | 64.5 | 11% | 0.109 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 131.7 | -169.8 | -174.4 | 0 | 0 | 0 | 0 | 110.2 | K9 G11 E12 Y19 K34 | K9-V17 HydrophobicContact CD-CG1 3.88Å; K9-V17 HydrophobicContact CG-CG1 3.82Å; G11-V17 WeakPolarHBondContact O-CG1 3.3Å; E12-V17 HydrophobicContact CG-CG2 4.11Å; V17-Y19 HydrophobicContact CB-CE2 3.75Å; V17-Y19 HydrophobicContact CG1-CD2 4.1Å; V17-Y19 HydrophobicContact CG1-CE1 4.05Å; V17-Y19 HydrophobicContact CG1-CE2 3.42Å; V17-Y19 VanDerWaalsContact CG1-CE2 3.42Å; V17-K34 PolarHBondContact N-O 3.18Å; V17-K34 PolarHBondContact O-N 2.88Å |
| 18 | V | 91.4 | Very high | 89 | Confident | 32 Ų | 32 | 65 Ų | 65 | 19% | 0.194 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 128.8 | 177.5 | -167.9 | 0 | 0 | 0 | 0 | 109.5 | I10 G11 A31 K33 | I10-V18 HydrophobicContact CD1-CG1 3.79Å; I10-V18 HydrophobicContact CG1-CB 4.07Å; I10-V18 HydrophobicContact CG1-CG1 3.76Å; I10-V18 WeakPolarHBondContact CG1-O 3.49Å; I10-V18 PolarHBondContact N-O 2.95Å; G11-V18 PolarHBondContact N-O 3.15Å; G11-V18 PolarHBondContact O-N 3.28Å; V18-A31 HydrophobicContact CG1-CB 4.29Å; V18-K33 HydrophobicContact CG2-CB 4.39Å; V18-K33 HydrophobicContact CG2-CD 4.37Å; V18-K33 HydrophobicContact CG2-CG 4.08Å |
| 19 | Y | 94.4 | Very high | 89.1 | Confident | 45 Ų | 45 | 62.6 Ų | 62.6 | 18% | 0.176 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 144.9 | 175.1 | -58.6 | -91.4 | 0 | 0 | 0 | 110.4 | K6 E8 K9 V17 A31 M32 K34 | K6-Y19 HydrophobicContact CD-CD1 3.42Å; K6-Y19 VanDerWaalsContact CD-CD1 3.42Å; K6-Y19 HydrophobicContact CD-CD2 4.37Å; K6-Y19 HydrophobicContact CD-CE1 3.8Å; K6-Y19 HydrophobicContact CD-CG 3.74Å; K6-Y19 VanDerWaalsContact CE-CD1 3.42Å; K6-Y19 VanDerWaalsContact CE-CD2 3.43Å; K6-Y19 HydrophobicContact CG-CD1 3.97Å; K6-Y19 HydrophobicContact CG-CG 4.13Å; K6-Y19 VanDerWaalsContact NZ-CD2 3.29Å; K6-Y19 VanDerWaalsContact NZ-CE1 3.33Å; E8-Y19 CarbonylContact O-C 3.53Å; E8-Y19 VanDerWaalsContact O-CA 3.23Å; E8-Y19 WeakPolarHBondContact O-CA 3.35Å; K9-Y19 HydrophobicContact CB-CD1 3.91Å; K9-Y19 HydrophobicContact CB-CE1 3.9Å; K9-Y19 HydrophobicContact CG-CD1 4.46Å; K9-Y19 HydrophobicContact CG-CE1 4.26Å; V17-Y19 HydrophobicContact CB-CE2 3.75Å; V17-Y19 HydrophobicContact CG1-CD2 4.1Å; V17-Y19 HydrophobicContact CG1-CE1 4.05Å; V17-Y19 HydrophobicContact CG1-CE2 3.42Å; V17-Y19 VanDerWaalsContact CG1-CE2 3.42Å; Y19-A31 CarbonylContact O-C 3.55Å; Y19-M32 PolarHBondContact N-O 2.95Å; Y19-M32 PolarHBondContact O-N 2.72Å; Y19-K34 HydrophobicContact CE2-CB 4.21Å |
| 20 | K | 95.4 | Very high | 89.2 | Confident | 54 Ų | 54 | 57.2 Ų | 57.2 | 24% | 0.235 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 135.1 | 161.3 | -172 | 179.6 | -177.9 | 179.4 | 0 | 108.3 | I7 E8 I10 V29 F82 | I7-K20 WeakPolarHBondContact CB-O 3.47Å; I7-K20 HydrophobicContact CD1-CG 4.41Å; I7-K20 PolarHBondContact N-O 2.72Å; E8-K20 HydrophobicContact CG-CB 3.89Å; E8-K20 HydrophobicContact CG-CD 4.17Å; E8-K20 PolarHBondContact N-O 3.22Å; E8-K20 PolarHBondContact O-N 3.39Å; E8-K20 WeakPolarHBondContact OE1-CD 3.45Å; E8-K20 IonicContact OE1-NZ 2.68Å; E8-K20 PolarHBondContact OE1-NZ 2.92Å; I10-K20 HydrophobicContact CD1-CB 4.33Å; I10-K20 HydrophobicContact CG2-CB 3.73Å; K20-V29 HydrophobicContact CD-CG1 4.35Å; K20-V29 HydrophobicContact CG-CG1 3.84Å; K20-F82 HydrophobicContact CB-CE2 4.39Å; K20-F82 HydrophobicContact CD-CE2 4.13Å; K20-F82 HydrophobicContact CD-CZ 4.11Å; K20-F82 HydrophobicContact CG-CD2 4.21Å; K20-F82 HydrophobicContact CG-CE2 4.01Å; K20-F82 HydrophobicContact CG-CZ 4.44Å |
| 21 | G | 96.2 | Very high | 89.5 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 175.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | T5 V29 V30 | T5-G21 CarbonylContact O-C 3.59Å; T5-G21 WeakPolarHBondContact O-CA 3.31Å; G21-V29 WeakPolarHBondContact O-CA 3.42Å; G21-V30 PolarHBondContact N-O 3.3Å; G21-V30 PolarHBondContact O-N 3.49Å |
| 22 | R | 97.1 | Very high | 90 | Very high | 127 Ų | 127 | 53.6 Ų | 53.6 | 48% | 0.479 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 131.5 | 173.6 | -176.1 | 175.6 | -62.2 | -158.7 | -0.3 | 110.3 | Y4 T5 I7 G27 Q28 | Y4-R22 CarbonylContact C-O 3.42Å; Y4-R22 WeakPolarHBondContact CA-O 3.34Å; T5-R22 PolarHBondContact N-O 2.85Å; T5-R22 PolarHBondContact O-N 3.38Å; I7-R22 HydrophobicContact CD1-CB 3.97Å; R22-G27 WeakPolarHBondContact CG-O 3.45Å; R22-Q28 CarbonylContact C-O 3.54Å; R22-Q28 VanDerWaalsContact CA-O 3.3Å; R22-Q28 WeakPolarHBondContact CA-O 3.32Å |
| 23 | H | 96.4 | Very high | 90.4 | Very high | 32 Ų | 32 | 49 Ų | 49 | 15% | 0.148 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 127.9 | 170.5 | -167.2 | -63.7 | 0 | 0 | 0 | 109.5 | D3 Y4 T25 T26 G27 Q28 | D3-H23 CarbonylContact O-C 3.58Å; D3-H23 WeakPolarHBondContact O-CA 3.49Å; Y4-H23 HydrophobicContact CD1-CB 4.17Å; Y4-H23 HydrophobicContact CE1-CB 4Å; Y4-H23 AromaticContact CE1-CD2 3.58Å; Y4-H23 AromaticContact CZ-CD2 3.6Å; H23-T25 PolarHBondContact CE1-OG1 3.16Å; H23-T25 PolarHBondContact ND1-N 3.05Å; H23-T25 PolarHBondContact ND1-OG1 3.07Å; H23-T25 VanDerWaalsContact ND1-OG1 3.08Å; H23-T26 VanDerWaalsContact CB-OG1 3.32Å; H23-T26 WeakPolarHBondContact CB-OG1 3.42Å; H23-T26 PolarHBondContact ND1-N 3.26Å; H23-G27 VanDerWaalsContact O-CA 3.25Å; H23-G27 WeakPolarHBondContact O-CA 3.47Å; H23-G27 PolarHBondContact O-N 3.42Å; H23-Q28 HydrophobicContact CB-CB 4.34Å; H23-Q28 PolarHBondContact N-O 2.76Å |
| 24 | K | 95.6 | Very high | 91.3 | Very high | 119 Ų | 119 | 49.2 Ų | 49.2 | 52% | 0.517 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -39.5 | -169.1 | -70.1 | -178.3 | -171.5 | 170.3 | 0 | 113.2 | E2 D3 T5 | E2-K24 VanDerWaalsContact O-CD 3.24Å; E2-K24 WeakPolarHBondContact O-CD 3.27Å; E2-K24 WeakPolarHBondContact O-CE 3.34Å; E2-K24 PolarHBondContact O-NZ 3.27Å; D3-K24 WeakPolarHBondContact O-CG 3.42Å; D3-K24 PolarHBondContact O-N 3.28Å; T5-K24 VanDerWaalsContact OG1-CE 3.31Å; T5-K24 WeakPolarHBondContact OG1-CE 3.25Å |
| 25 | T | 94.7 | Very high | 92.1 | Very high | 114 Ų | 114 | 44.6 Ų | 44.6 | 70% | 0.699 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -48.5 | -179.4 | 60.4 | 0 | 0 | 0 | 0 | 113.1 | H23 | H23-T25 PolarHBondContact CE1-OG1 3.16Å; H23-T25 PolarHBondContact ND1-N 3.05Å; H23-T25 PolarHBondContact ND1-OG1 3.07Å; H23-T25 VanDerWaalsContact ND1-OG1 3.08Å |
| 26 | T | 95.6 | Very high | 92.3 | Very high | 91 Ų | 91 | 48 Ų | 48 | 56% | 0.558 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -16.4 | -176.2 | 66.9 | 0 | 0 | 0 | 0 | 113.7 | H23 Q28 | H23-T26 VanDerWaalsContact CB-OG1 3.32Å; H23-T26 WeakPolarHBondContact CB-OG1 3.42Å; H23-T26 PolarHBondContact ND1-N 3.26Å; T26-Q28 PolarHBondContact O-N 3.09Å; T26-Q28 WeakPolarHBondContact OG1-CB 3.47Å; T26-Q28 PolarHBondContact OG1-N 3.18Å |
| 27 | G | 94.6 | Very high | 91.9 | Very high | 34 Ų | 34 | 49.5 Ų | 49.5 | 35% | 0.351 | 25% | 0.248 | S | C | . | . | trans | 70.2 | 2.2 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | R22 H23 V29 | R22-G27 WeakPolarHBondContact CG-O 3.45Å; H23-G27 VanDerWaalsContact O-CA 3.25Å; H23-G27 WeakPolarHBondContact O-CA 3.47Å; H23-G27 PolarHBondContact O-N 3.42Å; G27-V29 PolarHBondContact O-N 2.75Å | ||
| 28 | Q | 95.1 | Very high | 90.8 | Very high | 91 Ų | 91 | 54.4 Ų | 54.4 | 43% | 0.425 | 27% | 0.27 | S | S | . | . | trans | -63.6 | 132.2 | -177.2 | -174.5 | 179.3 | 21.5 | 0 | 0 | 111.3 | R22 H23 T26 V30 Q67 | R22-Q28 CarbonylContact C-O 3.54Å; R22-Q28 VanDerWaalsContact CA-O 3.3Å; R22-Q28 WeakPolarHBondContact CA-O 3.32Å; H23-Q28 HydrophobicContact CB-CB 4.34Å; H23-Q28 PolarHBondContact N-O 2.76Å; T26-Q28 PolarHBondContact O-N 3.09Å; T26-Q28 WeakPolarHBondContact OG1-CB 3.47Å; T26-Q28 PolarHBondContact OG1-N 3.18Å; Q28-V30 HydrophobicContact CG-CG1 4.34Å; Q28-Q67 VanDerWaalsContact NE2-NE2 3.14Å | ||
| 29 | V | 95.9 | Very high | 89.6 | Confident | 45 Ų | 45 | 54.7 Ų | 54.7 | 27% | 0.273 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 133.8 | 172.8 | -176.4 | 0 | 0 | 0 | 0 | 109.5 | K20 G21 G27 F82 | K20-V29 HydrophobicContact CD-CG1 4.35Å; K20-V29 HydrophobicContact CG-CG1 3.84Å; G21-V29 WeakPolarHBondContact O-CA 3.42Å; G27-V29 PolarHBondContact O-N 2.75Å; V29-F82 HydrophobicContact CB-CB 4.47Å; V29-F82 HydrophobicContact CG1-CB 3.92Å; V29-F82 HydrophobicContact CG1-CD1 3.78Å; V29-F82 HydrophobicContact CG1-CD2 4.42Å; V29-F82 HydrophobicContact CG1-CE1 4.43Å; V29-F82 HydrophobicContact CG1-CG 3.77Å |
| 30 | V | 96.1 | Very high | 87.9 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 157.6 | -175.3 | -62.9 | 0 | 0 | 0 | 0 | 111.7 | Y4 G21 Q28 M32 I79 F80 | Y4-V30 HydrophobicContact CD1-CG2 3.73Å; Y4-V30 HydrophobicContact CE1-CG1 4.19Å; Y4-V30 HydrophobicContact CE1-CG2 3.89Å; G21-V30 PolarHBondContact N-O 3.3Å; G21-V30 PolarHBondContact O-N 3.49Å; Q28-V30 HydrophobicContact CG-CG1 4.34Å; V30-M32 HydrophobicContact CG2-CG 3.94Å; V30-I79 HydrophobicContact CB-CG2 3.91Å; V30-I79 HydrophobicContact CG1-CG2 4.07Å; V30-I79 HydrophobicContact CG2-CG2 4.07Å; V30-F80 WeakPolarHBondContact CA-O 3.37Å; V30-F80 WeakPolarHBondContact CB-O 3.43Å |
| 31 | A | 95.2 | Very high | 86.4 | Confident | 13 Ų | 13 | 66.2 Ų | 66.2 | 11% | 0.107 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 123.8 | 166.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | V18 Y19 F80 F82 | V18-A31 HydrophobicContact CG1-CB 4.29Å; Y19-A31 CarbonylContact O-C 3.55Å; A31-F80 HydrophobicContact CB-CB 4.31Å; A31-F80 PolarHBondContact N-O 3.18Å; A31-F80 PolarHBondContact O-N 3.3Å; A31-F82 HydrophobicContact CB-CD2 4.39Å |
| 32 | M | 94.3 | Very high | 84.9 | Confident | 0 Ų | 0 | 74.3 Ų | 74.3 | 0% | 0 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 100.9 | -177.7 | -45 | 179.7 | 78.4 | 0 | 0 | 108.8 | M1 Y4 Y19 V30 K34 I79 | M1-M32 HydrophobicContact CE-CE 4.35Å; M1-M32 HydrophobicContact SD-CE 3.31Å; M1-M32 WeakPolarHBondContact SD-CE 3.43Å; Y4-M32 HydrophobicContact CD1-CE 4.45Å; Y4-M32 HydrophobicContact CG-CE 3.96Å; Y19-M32 PolarHBondContact N-O 2.95Å; Y19-M32 PolarHBondContact O-N 2.72Å; V30-M32 HydrophobicContact CG2-CG 3.94Å; M32-K34 PolarHBondContact O-N 3.25Å; M32-I79 HydrophobicContact CB-CD1 3.99Å; M32-I79 HydrophobicContact CE-CD1 3.69Å; M32-I79 HydrophobicContact CG-CD1 3.91Å |
| 33 | K | 91.1 | Very high | 83.4 | Confident | 9 Ų | 9 | 69.2 Ų | 69.2 | 4% | 0.039 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 105 | 178.4 | -171.7 | 169.7 | -167.1 | 172.9 | 0 | 109.8 | V18 I35 Y77 L78 F80 D146 L149 | V18-K33 HydrophobicContact CG2-CB 4.39Å; V18-K33 HydrophobicContact CG2-CD 4.37Å; V18-K33 HydrophobicContact CG2-CG 4.08Å; K33-I35 HydrophobicContact CD-CD1 4.31Å; K33-I35 HydrophobicContact CG-CD1 4.09Å; K33-I35 PolarHBondContact O-N 3.46Å; K33-Y77 WeakPolarHBondContact O-CA 3.47Å; K33-L78 HydrophobicContact CB-CB 4.37Å; K33-L78 PolarHBondContact N-O 2.85Å; K33-L78 PolarHBondContact O-N 3.36Å; K33-F80 HydrophobicContact CB-CD2 4.38Å; K33-F80 HydrophobicContact CB-CE2 4.06Å; K33-F80 HydrophobicContact CD-CE2 4.4Å; K33-D146 IonicContact NZ-OD1 2.64Å; K33-D146 PolarHBondContact NZ-OD1 2.99Å; K33-D146 IonicContact NZ-OD2 3.36Å; K33-D146 PolarHBondContact NZ-OD2 3.44Å; K33-L149 HydrophobicContact CD-CD1 4.09Å |
| 34 | K | 89.8 | Confident | 82.1 | Confident | 46 Ų | 46 | 68.6 Ų | 68.6 | 20% | 0.2 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 115 | 170.3 | -175.4 | -174.4 | 174.9 | -173.4 | 0 | 108.5 | G16 V17 Y19 M32 Y77 | G16-K34 CarbonylContact C-O 3.38Å; G16-K34 WeakPolarHBondContact CA-O 3.4Å; V17-K34 PolarHBondContact N-O 3.18Å; V17-K34 PolarHBondContact O-N 2.88Å; Y19-K34 HydrophobicContact CE2-CB 4.21Å; M32-K34 PolarHBondContact O-N 3.25Å; K34-Y77 HydrophobicContact CB-CD1 3.79Å; K34-Y77 HydrophobicContact CB-CE1 3.56Å; K34-Y77 HydrophobicContact CD-CE1 3.99Å; K34-Y77 HydrophobicContact CG-CD1 4.15Å; K34-Y77 HydrophobicContact CG-CE1 3.63Å |
| 35 | I | 84.8 | Confident | 80.8 | Confident | 6 Ų | 6 | 66 Ų | 66 | 3% | 0.031 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 137.4 | 178.8 | -55.5 | -63.2 | 0 | 0 | 0 | 109.8 | Y15 K33 L76 L78 F153 | Y15-I35 WeakPolarHBondContact O-CA 3.5Å; K33-I35 HydrophobicContact CD-CD1 4.31Å; K33-I35 HydrophobicContact CG-CD1 4.09Å; K33-I35 PolarHBondContact O-N 3.46Å; I35-L76 HydrophobicContact CB-CB 4.28Å; I35-L76 HydrophobicContact CG1-CB 4.43Å; I35-L76 HydrophobicContact CG1-CD2 4.18Å; I35-L76 HydrophobicContact CG1-CG 4.38Å; I35-L76 PolarHBondContact N-O 2.94Å; I35-L78 HydrophobicContact CD1-CD1 3.89Å; I35-L78 HydrophobicContact CD1-CG 4.17Å; I35-L78 HydrophobicContact CG1-CD1 4.26Å; I35-L78 HydrophobicContact CG1-CG 4.09Å; I35-F153 HydrophobicContact CB-CZ 4.26Å; I35-F153 HydrophobicContact CD1-CE2 4.12Å; I35-F153 HydrophobicContact CD1-CZ 4.19Å; I35-F153 HydrophobicContact CG1-CE2 4.24Å; I35-F153 HydrophobicContact CG1-CZ 3.81Å; I35-F153 HydrophobicContact CG2-CD1 4.42Å; I35-F153 HydrophobicContact CG2-CD2 4.44Å; I35-F153 HydrophobicContact CG2-CE1 3.94Å; I35-F153 HydrophobicContact CG2-CE2 3.99Å; I35-F153 HydrophobicContact CG2-CZ 3.71Å |
| 36 | R | 76.4 | Confident | 79.5 | Confident | 129 Ų | 129 | 65.1 Ų | 65.1 | 49% | 0.487 | 35% | 0.347 | S | S | . | . | P | Polyproline II helix | trans | -85.3 | 116.8 | 171.3 | -171.5 | 174.5 | -70.1 | 173.7 | 1.9 | 108.3 | E12 Y15 | E12-R36 IonicContact OE1-CZ 3.6Å; E12-R36 IonicContact OE1-NH2 2.74Å; E12-R36 PolarHBondContact OE1-NH2 3.3Å; Y15-R36 PolarHBondContact O-N 3.14Å; Y15-R36 VanDerWaalsContact O-N 3.11Å |
| 37 | L | 71.2 | Confident | 78.2 | Confident | 34 Ų | 34 | 65.1 Ų | 65.1 | 18% | 0.178 | 35% | 0.346 | C | S | . | . | P | Polyproline II helix | trans | -89.1 | 145.3 | 174.2 | -62.7 | 169.3 | 0 | 0 | 0 | 109.3 | V44 S74 | L37-V44 HydrophobicContact CD1-CG2 3.74Å; L37-V44 HydrophobicContact CD2-CB 4.48Å; L37-V44 HydrophobicContact CD2-CG2 3.94Å; L37-V44 HydrophobicContact CG-CG2 4.45Å; L37-S74 VanDerWaalsContact CD1-O 3.22Å; L37-S74 WeakPolarHBondContact CD1-O 3.18Å |
| 38 | E | 65.4 | Low | 77 | Confident | 121 Ų | 121 | 63.5 Ų | 63.5 | 57% | 0.565 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -76.5 | -30.2 | 179.7 | -65.2 | -169.2 | 146.9 | 0 | 0 | 112.3 | I155 | E38-I155 HydrophobicContact CG-CG1 4.49Š|
| 39 | S | 65.6 | Low | 75.9 | Confident | 39 Ų | 39 | 62 Ų | 62 | 27% | 0.273 | 32% | 0.324 | S | S | . | . | trans | -126.5 | 119.6 | 173 | 179.4 | 0 | 0 | 0 | 0 | 109.8 | E41 E42 | S39-E41 PolarHBondContact OG-N 2.89Å; S39-E42 PolarHBondContact OG-N 3.23Å | ||
| 40 | E | 60.5 | Low | 74.6 | Confident | 147 Ų | 147 | 69.2 Ų | 69.2 | 69% | 0.687 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -22.1 | 172.7 | -74.9 | -166.5 | 150.6 | 0 | 0 | 111.8 | ||
| 41 | E | 62.7 | Low | 73.3 | Confident | 193 Ų | 193 | 72.5 Ų | 72.5 | 90% | 0.902 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -34.7 | -178.7 | -66.8 | -171.8 | 168.6 | 0 | 0 | 113.2 | S39 G43 | S39-E41 PolarHBondContact OG-N 2.89Å; E41-G43 VanDerWaalsContact C-N 3.34Å |
| 42 | E | 64.6 | Low | 72.4 | Confident | 171 Ų | 171 | 71.9 Ų | 71.9 | 80% | 0.799 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -10.2 | -178.7 | -66.3 | -172.4 | 162.2 | 0 | 0 | 113.4 | S39 | S39-E42 PolarHBondContact OG-N 3.23Š|
| 43 | G | 65.7 | Low | 71.2 | Confident | 19 Ų | 19 | 74.5 Ų | 74.5 | 20% | 0.196 | 38% | 0.375 | C | S | . | . | trans | 63.5 | -154.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | E41 | E41-G43 VanDerWaalsContact C-N 3.34Š| ||
| 44 | V | 68.5 | Low | 70.1 | Confident | 20 Ų | 20 | 79.2 Ų | 79.2 | 12% | 0.121 | 40% | 0.4 | C | S | . | . | trans | -93.5 | 125.4 | 178.4 | -171.9 | 0 | 0 | 0 | 0 | 109.1 | L37 S46 A48 I49 L76 F153 | L37-V44 HydrophobicContact CD1-CG2 3.74Å; L37-V44 HydrophobicContact CD2-CB 4.48Å; L37-V44 HydrophobicContact CD2-CG2 3.94Å; L37-V44 HydrophobicContact CG-CG2 4.45Å; V44-S46 PolarHBondContact O-N 2.89Å; V44-A48 HydrophobicContact CG1-CB 4.12Å; V44-I49 HydrophobicContact CB-CD1 4.34Å; V44-I49 HydrophobicContact CB-CG1 4.34Å; V44-I49 HydrophobicContact CG1-CD1 4.28Å; V44-I49 HydrophobicContact CG1-CG1 3.75Å; V44-L76 HydrophobicContact CG1-CD2 4Å; V44-L76 HydrophobicContact CG2-CB 3.85Å; V44-L76 HydrophobicContact CG2-CD2 4.3Å; V44-F153 HydrophobicContact CG1-CE1 4.25Å | ||
| 45 | P | 68.5 | Low | 69.3 | Low | 63 Ų | 63 | 78.2 Ų | 78.2 | 41% | 0.409 | 40% | 0.397 | S | S | . | . | trans | -56.7 | 136.8 | 173.3 | -24.1 | 33.1 | 0 | 0 | 0 | 111.6 | T47 A48 I49 | P45-T47 WeakPolarHBondContact CB-OG1 3.49Å; P45-T47 PolarHBondContact O-N 2.84Å; P45-A48 HydrophobicContact CB-CB 4.32Å; P45-A48 WeakPolarHBondContact O-CB 3.39Å; P45-A48 PolarHBondContact O-N 2.9Å; P45-I49 PolarHBondContact O-N 3.25Å | ||
| 46 | S | 68.4 | Low | 69.1 | Low | 97 Ų | 97 | 80.9 Ų | 80.9 | 68% | 0.678 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -60.5 | -29.1 | 177.8 | 60 | 0 | 0 | 0 | 0 | 112.6 | V44 I49 R50 | V44-S46 PolarHBondContact O-N 2.89Å; S46-I49 PolarHBondContact O-N 3.24Å; S46-R50 PolarHBondContact O-N 3.35Å |
| 47 | T | 67.4 | Low | 69.3 | Low | 90 Ų | 90 | 80.4 Ų | 80.4 | 55% | 0.552 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -60.8 | -42.9 | 171.1 | 48.7 | 0 | 0 | 0 | 0 | 111.8 | P45 R50 E51 | P45-T47 WeakPolarHBondContact CB-OG1 3.49Å; P45-T47 PolarHBondContact O-N 2.84Å; T47-R50 WeakPolarHBondContact O-CB 3.31Å; T47-R50 PolarHBondContact O-N 3.38Å; T47-E51 WeakPolarHBondContact O-CG 3.17Å; T47-E51 PolarHBondContact O-N 3.45Å |
| 48 | A | 69.3 | Low | 70 | Confident | 0 Ų | 0 | 79.3 Ų | 79.3 | 0% | 0 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -66.7 | -42.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112 | V44 P45 R50 E51 I52 A152 F153 | V44-A48 HydrophobicContact CG1-CB 4.12Å; P45-A48 HydrophobicContact CB-CB 4.32Å; P45-A48 WeakPolarHBondContact O-CB 3.39Å; P45-A48 PolarHBondContact O-N 2.9Å; A48-R50 VanDerWaalsContact C-N 3.26Å; A48-R50 PolarHBondContact O-N 3.02Å; A48-E51 PolarHBondContact O-N 2.95Å; A48-I52 WeakPolarHBondContact O-CB 3.24Å; A48-I52 WeakPolarHBondContact O-CD1 3.48Å; A48-I52 WeakPolarHBondContact O-CG1 3.37Å; A48-I52 PolarHBondContact O-N 2.8Å; A48-A152 WeakPolarHBondContact CA-O 3.35Å; A48-A152 VanDerWaalsContact CB-O 3.31Å; A48-A152 WeakPolarHBondContact CB-O 3.45Å; A48-F153 HydrophobicContact CB-CD1 3.56Å; A48-F153 HydrophobicContact CB-CE1 3.96Å; A48-F153 HydrophobicContact CB-CG 4.32Å |
| 49 | I | 72.4 | Confident | 71.2 | Confident | 61 Ų | 61 | 81.6 Ų | 81.6 | 31% | 0.313 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -58.7 | -41.6 | 174 | -62.9 | 174.5 | 0 | 0 | 0 | 110.6 | V44 P45 S46 S53 | V44-I49 HydrophobicContact CB-CD1 4.34Å; V44-I49 HydrophobicContact CB-CG1 4.34Å; V44-I49 HydrophobicContact CG1-CD1 4.28Å; V44-I49 HydrophobicContact CG1-CG1 3.75Å; P45-I49 PolarHBondContact O-N 3.25Å; S46-I49 PolarHBondContact O-N 3.24Å; I49-S53 WeakPolarHBondContact O-CB 3.42Å; I49-S53 PolarHBondContact O-N 2.94Å; I49-S53 PolarHBondContact O-OG 3.42Å |
| 50 | R | 68.3 | Low | 72.5 | Confident | 195 Ų | 195 | 81.4 Ų | 81.4 | 74% | 0.736 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -64.6 | -46 | 177.2 | -171.8 | 177.7 | -177.7 | 175.7 | 1 | 111.9 | S46 T47 A48 S53 L54 | S46-R50 PolarHBondContact O-N 3.35Å; T47-R50 WeakPolarHBondContact O-CB 3.31Å; T47-R50 PolarHBondContact O-N 3.38Å; A48-R50 VanDerWaalsContact C-N 3.26Å; A48-R50 PolarHBondContact O-N 3.02Å; R50-S53 WeakPolarHBondContact O-CB 3.5Å; R50-S53 PolarHBondContact O-N 3.2Å; R50-L54 WeakPolarHBondContact O-CG 3.22Å; R50-L54 PolarHBondContact O-N 3.31Å; R50-L54 VanDerWaalsContact O-N 3.14Å |
| 51 | E | 69.3 | Low | 74.2 | Confident | 70 Ų | 70 | 77.1 Ų | 77.1 | 33% | 0.327 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -65.9 | -37.1 | 178.6 | -71.8 | -162.5 | -153.7 | 0 | 0 | 112.5 | T47 A48 S53 L54 L55 A152 | T47-E51 WeakPolarHBondContact O-CG 3.17Å; T47-E51 PolarHBondContact O-N 3.45Å; A48-E51 PolarHBondContact O-N 2.95Å; E51-S53 VanDerWaalsContact C-N 3.34Å; E51-L54 WeakPolarHBondContact O-CB 3.11Å; E51-L54 PolarHBondContact O-N 3.35Å; E51-L55 PolarHBondContact O-N 3.24Å; E51-A152 HydrophobicContact CB-CB 3.58Å; E51-A152 WeakPolarHBondContact OE2-CA 3.49Å; E51-A152 PolarHBondContact OE2-N 3.04Å |
| 52 | I | 75.4 | Confident | 75.8 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -67.4 | -37.8 | 173.1 | -65.3 | 159.6 | 0 | 0 | 0 | 111.1 | A48 L54 L55 L66 V69 L76 L78 A152 F153 | A48-I52 WeakPolarHBondContact O-CB 3.24Å; A48-I52 WeakPolarHBondContact O-CD1 3.48Å; A48-I52 WeakPolarHBondContact O-CG1 3.37Å; A48-I52 PolarHBondContact O-N 2.8Å; I52-L54 PolarHBondContact O-N 3.4Å; I52-L55 WeakPolarHBondContact O-CA 3.19Å; I52-L55 WeakPolarHBondContact O-CB 3.39Å; I52-L55 PolarHBondContact O-N 3.22Å; I52-L66 HydrophobicContact CG2-CD2 3.86Å; I52-L66 WeakPolarHBondContact O-CD2 3.43Å; I52-V69 HydrophobicContact CG2-CG1 4.41Å; I52-V69 HydrophobicContact CG2-CG2 3.68Å; I52-L76 HydrophobicContact CD1-CD2 3.56Å; I52-L78 HydrophobicContact CD1-CD2 4.34Å; I52-L78 HydrophobicContact CG2-CD1 4.37Å; I52-L78 HydrophobicContact CG2-CD2 3.53Å; I52-A152 HydrophobicContact CG1-CB 4.34Å; I52-F153 HydrophobicContact CD1-CE1 3.52Å; I52-F153 HydrophobicContact CD1-CE2 3.89Å; I52-F153 HydrophobicContact CD1-CZ 3.12Å; I52-F153 HydrophobicContact CG1-CE2 4.27Å; I52-F153 HydrophobicContact CG1-CZ 3.96Å |
| 53 | S | 69.4 | Low | 77.2 | Confident | 54 Ų | 54 | 60 Ų | 60 | 38% | 0.378 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -63 | -30.5 | 176.5 | -60.5 | 0 | 0 | 0 | 0 | 111.2 | I49 R50 E51 L55 K56 | I49-S53 WeakPolarHBondContact O-CB 3.42Å; I49-S53 PolarHBondContact O-N 2.94Å; I49-S53 PolarHBondContact O-OG 3.42Å; R50-S53 WeakPolarHBondContact O-CB 3.5Å; R50-S53 PolarHBondContact O-N 3.2Å; E51-S53 VanDerWaalsContact C-N 3.34Å; S53-L55 PolarHBondContact O-N 3.2Å; S53-K56 WeakPolarHBondContact O-CB 3.46Å; S53-K56 PolarHBondContact O-N 3.43Å; S53-K56 VanDerWaalsContact O-N 3.09Å |
| 54 | L | 68.9 | Low | 78.5 | Confident | 109 Ų | 109 | 59.7 Ų | 59.7 | 57% | 0.571 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -66.2 | -25.4 | 170.4 | -62 | 173 | 0 | 0 | 0 | 112.7 | R50 E51 I52 K56 E57 | R50-L54 WeakPolarHBondContact O-CG 3.22Å; R50-L54 PolarHBondContact O-N 3.31Å; R50-L54 VanDerWaalsContact O-N 3.14Å; E51-L54 WeakPolarHBondContact O-CB 3.11Å; E51-L54 PolarHBondContact O-N 3.35Å; I52-L54 PolarHBondContact O-N 3.4Å; L54-K56 VanDerWaalsContact C-N 3.25Å; L54-K56 PolarHBondContact O-N 3.11Å; L54-E57 WeakPolarHBondContact O-CB 3.37Å; L54-E57 PolarHBondContact O-N 3.4Å; L54-E57 VanDerWaalsContact O-N 3.16Å |
| 55 | L | 73.5 | Confident | 79.6 | Confident | 25 Ų | 25 | 60.8 Ų | 60.8 | 13% | 0.131 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -67.6 | -24.6 | 172 | -57.5 | 173.4 | 0 | 0 | 0 | 112.1 | E51 I52 S53 E57 L58 L66 F147 L149 | E51-L55 PolarHBondContact O-N 3.24Å; I52-L55 WeakPolarHBondContact O-CA 3.19Å; I52-L55 WeakPolarHBondContact O-CB 3.39Å; I52-L55 PolarHBondContact O-N 3.22Å; S53-L55 PolarHBondContact O-N 3.2Å; L55-E57 PolarHBondContact O-N 2.82Å; L55-L58 HydrophobicContact CD2-CD1 3.73Å; L55-L58 WeakPolarHBondContact O-CB 3.29Å; L55-L58 PolarHBondContact O-N 2.7Å; L55-L58 VanDerWaalsContact O-N 3.07Å; L55-L66 HydrophobicContact CB-CD2 4Å; L55-F147 HydrophobicContact CD2-CB 4Å; L55-L149 HydrophobicContact CD1-CD2 4.38Å |
| 56 | K | 79.5 | Confident | 80.7 | Confident | 61 Ų | 61 | 58.3 Ų | 58.3 | 27% | 0.265 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -20.4 | 172.2 | -69 | -164.1 | 173.3 | -167.2 | 0 | 112.7 | S53 L54 L58 R59 L66 D68 | S53-K56 WeakPolarHBondContact O-CB 3.46Å; S53-K56 PolarHBondContact O-N 3.43Å; S53-K56 VanDerWaalsContact O-N 3.09Å; L54-K56 VanDerWaalsContact C-N 3.25Å; L54-K56 PolarHBondContact O-N 3.11Å; K56-L58 VanDerWaalsContact C-N 3.35Å; K56-R59 WeakPolarHBondContact O-CG 3.33Å; K56-R59 PolarHBondContact O-NE 2.97Å; K56-L66 HydrophobicContact CG-CB 4.46Å; K56-L66 HydrophobicContact CG-CD2 3.69Å; K56-L66 HydrophobicContact CG-CG 3.98Å; K56-D68 IonicContact NZ-OD1 2.94Å; K56-D68 PolarHBondContact NZ-OD1 3.44Å |
| 57 | E | 80.1 | Confident | 81.8 | Confident | 120 Ų | 120 | 56.3 Ų | 56.3 | 56% | 0.561 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -10.7 | 175.6 | -61.3 | -56.1 | 129.3 | 0 | 0 | 112.7 | L54 L55 R59 | L54-E57 WeakPolarHBondContact O-CB 3.37Å; L54-E57 PolarHBondContact O-N 3.4Å; L54-E57 VanDerWaalsContact O-N 3.16Å; L55-E57 PolarHBondContact O-N 2.82Å; E57-R59 PolarHBondContact O-N 3.24Å |
| 58 | L | 85.4 | Confident | 82.8 | Confident | 11 Ų | 11 | 54.3 Ų | 54.3 | 6% | 0.058 | 26% | 0.261 | C | S | . | . | trans | -80.4 | 68.8 | 175 | -62.8 | -179.2 | 0 | 0 | 0 | 111.3 | L55 K56 I63 F118 V124 F147 | L55-L58 HydrophobicContact CD2-CD1 3.73Å; L55-L58 WeakPolarHBondContact O-CB 3.29Å; L55-L58 PolarHBondContact O-N 2.7Å; L55-L58 VanDerWaalsContact O-N 3.07Å; K56-L58 VanDerWaalsContact C-N 3.35Å; L58-I63 HydrophobicContact CB-CG2 4.25Å; L58-I63 WeakPolarHBondContact O-CG2 3.42Å; L58-F118 HydrophobicContact CB-CE1 4.43Å; L58-F118 HydrophobicContact CD2-CD1 4.44Å; L58-F118 HydrophobicContact CD2-CE1 3.93Å; L58-V124 HydrophobicContact CD1-CG1 4.25Å; L58-V124 HydrophobicContact CD2-CG2 4.25Å; L58-F147 HydrophobicContact CD1-CD1 4.47Å; L58-F147 HydrophobicContact CD1-CG 4.42Å | ||
| 59 | R | 91.4 | Very high | 83.7 | Confident | 169 Ų | 169 | 55.9 Ų | 55.9 | 64% | 0.638 | 27% | 0.271 | S | S | * | . | trans | -98 | 104 | 179.2 | -57.4 | -175.1 | -163.2 | 174.9 | 9.6 | 110.4 | K56 E57 F118 | K56-R59 WeakPolarHBondContact O-CG 3.33Å; K56-R59 PolarHBondContact O-NE 2.97Å; E57-R59 PolarHBondContact O-N 3.24Å; R59-F118 VanDerWaalsContact O-CZ 3.27Å; R59-F118 WeakPolarHBondContact O-CZ 3.17Å | ||
| 60 | H | 93.9 | Very high | 84.5 | Confident | 35 Ų | 35 | 54 Ų | 54 | 16% | 0.162 | 26% | 0.261 | C | S | . | . | trans | -149.2 | 144.4 | 177.6 | -174.4 | -91.6 | 0 | 0 | 0 | 109.5 | N62 I63 F118 | H60-N62 PolarHBondContact CE1-OD1 3.39Å; H60-N62 VanDerWaalsContact CE1-OD1 3.24Å; H60-N62 PolarHBondContact ND1-N 3.05Å; H60-N62 PolarHBondContact O-N 3.4Å; H60-N62 VanDerWaalsContact O-N 3.15Å; H60-I63 HydrophobicContact CB-CB 4.06Å; H60-I63 HydrophobicContact CB-CD1 3.73Å; H60-I63 HydrophobicContact CB-CG1 3.9Å; H60-I63 PolarHBondContact O-N 3.01Å; H60-I63 VanDerWaalsContact O-O 3.09Å; H60-F118 HydrophobicContact CB-CB 4.43Å; H60-F118 HydrophobicContact CB-CD1 3.96Å; H60-F118 HydrophobicContact CB-CD2 4.04Å; H60-F118 HydrophobicContact CB-CE1 4.16Å; H60-F118 HydrophobicContact CB-CE2 4.2Å; H60-F118 HydrophobicContact CB-CG 3.89Å; H60-F118 HydrophobicContact CB-CZ 4.27Å; H60-F118 AromaticContact CD2-CD2 3.49Å; H60-F118 VanDerWaalsContact CD2-CD2 3.49Å; H60-F118 WeakPolarHBondContact CD2-CD2 3.38Å; H60-F118 AromaticContact CD2-CG 3.71Å; H60-F118 AromaticContact CG-CG 3.93Å | ||
| 61 | P | 95.2 | Very high | 85.3 | Confident | 57 Ų | 57 | 50.8 Ų | 50.8 | 37% | 0.37 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -33 | -178.5 | -32.5 | 42.7 | 0 | 0 | 0 | 114.2 | K143 M297 | P61-K143 WeakPolarHBondContact O-CD 3.37Å; P61-K143 WeakPolarHBondContact O-CE 3.39Å; P61-K143 WeakPolarHBondContact O-CG 3.44Å; P61-K143 PolarHBondContact O-NZ 3.21Å; P61-M297 VanDerWaalsContact CG-O 3.31Å; P61-M297 WeakPolarHBondContact CG-O 3.5Å |
| 62 | N | 96.3 | Very high | 85.9 | Confident | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | 22 | 176.9 | -48.9 | 107.2 | 0 | 0 | 0 | 114.6 | H60 Q111 I142 K143 L144 | H60-N62 PolarHBondContact CE1-OD1 3.39Å; H60-N62 VanDerWaalsContact CE1-OD1 3.24Å; H60-N62 PolarHBondContact ND1-N 3.05Å; H60-N62 PolarHBondContact O-N 3.4Å; H60-N62 VanDerWaalsContact O-N 3.15Å; N62-Q111 WeakPolarHBondContact CB-O 3.47Å; N62-Q111 VanDerWaalsContact ND2-CB 3.33Å; N62-Q111 WeakPolarHBondContact ND2-CB 3.33Å; N62-Q111 WeakPolarHBondContact ND2-CG 3.25Å; N62-Q111 PolarHBondContact ND2-OE1 2.85Å; N62-I142 WeakPolarHBondContact CB-O 3.22Å; N62-I142 PolarHBondContact ND2-O 3.47Å; N62-K143 WeakPolarHBondContact O-CA 3Å; N62-L144 WeakPolarHBondContact O-CG 3.35Å; N62-L144 PolarHBondContact O-N 3.33Å |
| 63 | I | 94.1 | Very high | 86.3 | Confident | 3 Ų | 3 | 56.6 Ų | 56.6 | 2% | 0.015 | 29% | 0.287 | C | S | . | . | B | Isolated β-bridge | trans | -125.8 | 132.8 | 172.4 | -67.2 | 176.8 | 0 | 0 | 0 | 107.7 | L58 H60 S65 F118 C119 F147 | L58-I63 HydrophobicContact CB-CG2 4.25Å; L58-I63 WeakPolarHBondContact O-CG2 3.42Å; H60-I63 HydrophobicContact CB-CB 4.06Å; H60-I63 HydrophobicContact CB-CD1 3.73Å; H60-I63 HydrophobicContact CB-CG1 3.9Å; H60-I63 PolarHBondContact O-N 3.01Å; H60-I63 VanDerWaalsContact O-O 3.09Å; I63-S65 PolarHBondContact O-N 3.08Å; I63-F118 HydrophobicContact CD1-CB 4.48Å; I63-F118 HydrophobicContact CD1-CD1 3.49Å; I63-F118 VanDerWaalsContact CD1-CD1 3.49Å; I63-F118 HydrophobicContact CD1-CE1 4.06Å; I63-F118 HydrophobicContact CD1-CG 4.3Å; I63-C119 WeakPolarHBondContact CD1-SG 3.45Å; I63-F147 HydrophobicContact CB-CE2 4.24Å; I63-F147 HydrophobicContact CD1-CZ 4.12Å; I63-F147 HydrophobicContact CG1-CE2 4.06Å; I63-F147 HydrophobicContact CG1-CZ 3.92Å; I63-F147 HydrophobicContact CG2-CD2 4.16Å; I63-F147 HydrophobicContact CG2-CE2 3.56Å; I63-F147 HydrophobicContact CG2-CZ 4.22Å |
| 64 | V | 93.4 | Very high | 86.7 | Confident | 13 Ų | 13 | 57.5 Ų | 57.5 | 8% | 0.079 | 29% | 0.293 | C | S | . | . | trans | -63.3 | 119.9 | 175.8 | 175.6 | 0 | 0 | 0 | 0 | 109.3 | L66 F80 E81 L83 L135 K143 L144 A145 | V64-L66 PolarHBondContact O-N 2.98Å; V64-F80 HydrophobicContact CG1-CB 3.81Å; V64-F80 HydrophobicContact CG1-CD1 3.8Å; V64-F80 HydrophobicContact CG1-CG 4.1Å; V64-E81 HydrophobicContact CG1-CG 3.92Å; V64-L83 HydrophobicContact CG2-CD1 3.96Å; V64-L135 HydrophobicContact CG2-CD1 4.01Å; V64-L135 HydrophobicContact CG2-CG 4.47Å; V64-K143 HydrophobicContact CG2-CB 3.72Å; V64-K143 HydrophobicContact CG2-CD 4.49Å; V64-L144 WeakPolarHBondContact CG2-O 3.18Å; V64-L144 PolarHBondContact N-O 3.44Å; V64-A145 HydrophobicContact CB-CB 4.33Å; V64-A145 HydrophobicContact CG2-CB 3.72Å | ||
| 65 | S | 91.9 | Very high | 87.4 | Confident | 43 Ų | 43 | 56.8 Ų | 56.8 | 30% | 0.301 | 28% | 0.283 | S | S | . | . | trans | -74.7 | 120.9 | -176.6 | -172.9 | 0 | 0 | 0 | 0 | 111.4 | I63 Q67 F80 E81 | I63-S65 PolarHBondContact O-N 3.08Å; S65-Q67 PolarHBondContact O-N 3.15Å; S65-F80 WeakPolarHBondContact O-CA 3.41Å; S65-E81 WeakPolarHBondContact CB-OE1 3.46Å; S65-E81 PolarHBondContact N-OE1 3.4Å; S65-E81 PolarHBondContact O-N 3.19Å | ||
| 66 | L | 91.3 | Very high | 87.9 | Confident | 11 Ų | 11 | 55.7 Ų | 55.7 | 6% | 0.058 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 107.8 | 164 | 179.9 | 64.3 | 0 | 0 | 0 | 108.7 | I52 L55 K56 V64 D68 V69 L78 F80 | I52-L66 HydrophobicContact CG2-CD2 3.86Å; I52-L66 WeakPolarHBondContact O-CD2 3.43Å; L55-L66 HydrophobicContact CB-CD2 4Å; K56-L66 HydrophobicContact CG-CB 4.46Å; K56-L66 HydrophobicContact CG-CD2 3.69Å; K56-L66 HydrophobicContact CG-CG 3.98Å; V64-L66 PolarHBondContact O-N 2.98Å; L66-D68 WeakPolarHBondContact CD1-O 3.46Å; L66-V69 HydrophobicContact CD1-CG2 4.34Å; L66-V69 HydrophobicContact CD2-CG2 3.91Å; L66-V69 HydrophobicContact CG-CG2 4.38Å; L66-L78 HydrophobicContact CD1-CB 3.89Å; L66-L78 HydrophobicContact CD1-CD2 4.48Å; L66-F80 HydrophobicContact CB-CD1 4.09Å; L66-F80 HydrophobicContact CB-CE1 3.83Å; L66-F80 HydrophobicContact CD1-CD1 4.08Å; L66-F80 HydrophobicContact CD1-CE1 3.71Å; L66-F80 HydrophobicContact CD1-CE2 4.38Å; L66-F80 HydrophobicContact CD1-CZ 3.88Å; L66-F80 HydrophobicContact CG-CE1 4.33Å |
| 67 | Q | 90.5 | Very high | 88.4 | Confident | 54 Ų | 54 | 53.5 Ų | 53.5 | 25% | 0.252 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | -47.1 | 179.9 | -60.2 | -178.5 | -10.5 | 0 | 0 | 110.6 | Q28 S65 I79 | Q28-Q67 VanDerWaalsContact NE2-NE2 3.14Å; S65-Q67 PolarHBondContact O-N 3.15Å; Q67-I79 WeakPolarHBondContact CA-O 3.36Å; Q67-I79 HydrophobicContact CB-CG2 4.37Å; Q67-I79 WeakPolarHBondContact CB-O 3.44Å; Q67-I79 PolarHBondContact N-O 3.47Å |
| 68 | D | 89 | Confident | 88.9 | Confident | 49 Ų | 49 | 47.8 Ų | 47.8 | 26% | 0.262 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 163.3 | -177.9 | -149 | 6.7 | 0 | 0 | 0 | 115.3 | K56 L66 L70 I79 | K56-D68 IonicContact NZ-OD1 2.94Å; K56-D68 PolarHBondContact NZ-OD1 3.44Å; L66-D68 WeakPolarHBondContact CD1-O 3.46Å; D68-L70 HydrophobicContact CB-CD2 4.49Å; D68-L70 VanDerWaalsContact OD2-CD2 3.3Å; D68-L70 WeakPolarHBondContact OD2-CD2 3.44Å; D68-I79 HydrophobicContact CB-CB 4.08Å; D68-I79 HydrophobicContact CB-CG1 4.16Å; D68-I79 PolarHBondContact N-O 3.19Å; D68-I79 PolarHBondContact O-N 3.42Å |
| 69 | V | 88.8 | Confident | 89.2 | Confident | 33 Ų | 33 | 47.2 Ų | 47.2 | 20% | 0.2 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 111.3 | 178.2 | -178.5 | 0 | 0 | 0 | 0 | 107.4 | I52 L66 L76 L78 | I52-V69 HydrophobicContact CG2-CG1 4.41Å; I52-V69 HydrophobicContact CG2-CG2 3.68Å; L66-V69 HydrophobicContact CD1-CG2 4.34Å; L66-V69 HydrophobicContact CD2-CG2 3.91Å; L66-V69 HydrophobicContact CG-CG2 4.38Å; V69-L76 HydrophobicContact CG1-CD1 3.57Å; V69-L78 HydrophobicContact CB-CD2 4.48Å; V69-L78 HydrophobicContact CG1-CD2 4.01Å; V69-L78 HydrophobicContact CG2-CD2 4.04Å |
| 70 | L | 88.4 | Confident | 89.3 | Confident | 21 Ų | 21 | 40.5 Ų | 40.5 | 11% | 0.11 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 142.8 | -175.7 | -50.7 | 175.7 | 0 | 0 | 0 | 110.4 | M1 Y4 D68 Y77 I79 | M1-L70 HydrophobicContact CG-CD1 4.48Å; Y4-L70 HydrophobicContact CD2-CD1 3.62Å; Y4-L70 HydrophobicContact CE2-CD1 3.7Å; D68-L70 HydrophobicContact CB-CD2 4.49Å; D68-L70 VanDerWaalsContact OD2-CD2 3.3Å; D68-L70 WeakPolarHBondContact OD2-CD2 3.44Å; L70-Y77 PolarHBondContact N-O 3.34Å; L70-Y77 PolarHBondContact O-N 2.88Å; L70-I79 HydrophobicContact CD1-CD1 3.81Å; L70-I79 HydrophobicContact CD1-CG1 3.72Å; L70-I79 HydrophobicContact CG-CD1 4.4Å; L70-I79 HydrophobicContact CG-CG1 3.93Å |
| 71 | M | 84.5 | Confident | 89.3 | Confident | 128 Ų | 128 | 40.6 Ų | 40.6 | 63% | 0.631 | 21% | 0.214 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 129.1 | 170.7 | -168.4 | 164.2 | 64.1 | 0 | 0 | 109.1 | R75 | M71-R75 WeakPolarHBondContact CA-O 3.16Å |
| 72 | Q | 83.1 | Confident | 89.2 | Confident | 73 Ų | 73 | 40.8 Ų | 40.8 | 34% | 0.341 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 128 | 174.1 | -173.7 | -171.8 | -0.6 | 0 | 0 | 109 | M1 S74 R75 Y77 | M1-Q72 HydrophobicContact CG-CB 4.27Å; Q72-S74 VanDerWaalsContact C-N 3.3Å; Q72-S74 PolarHBondContact O-N 2.76Å; Q72-R75 PolarHBondContact N-O 3.34Å; Q72-R75 WeakPolarHBondContact O-CA 3.46Å; Q72-R75 VanDerWaalsContact O-CB 3.24Å; Q72-R75 WeakPolarHBondContact O-CB 3.39Å; Q72-R75 PolarHBondContact O-N 2.83Å; Q72-Y77 HydrophobicContact CB-CE2 4.28Å |
| 73 | D | 82.8 | Confident | 89.1 | Confident | 119 Ų | 119 | 41.5 Ų | 41.5 | 64% | 0.636 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.4 | 48.8 | 178.6 | -47.4 | -38.4 | 0 | 0 | 0 | 112.1 | R75 | D73-R75 PolarHBondContact O-N 3.46Š|
| 74 | S | 78.8 | Confident | 88.7 | Confident | 73 Ų | 73 | 45.3 Ų | 45.3 | 51% | 0.51 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.2 | 14.3 | -174.8 | -55.3 | 0 | 0 | 0 | 0 | 115.3 | L37 Q72 | L37-S74 VanDerWaalsContact CD1-O 3.22Å; L37-S74 WeakPolarHBondContact CD1-O 3.18Å; Q72-S74 VanDerWaalsContact C-N 3.3Å; Q72-S74 PolarHBondContact O-N 2.76Å |
| 75 | R | 82.9 | Confident | 88.7 | Confident | 94 Ų | 94 | 47.4 Ų | 47.4 | 36% | 0.355 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 133.3 | 177.3 | -63.4 | 154.4 | 170.1 | -178.4 | 5.7 | 110.6 | M71 Q72 D73 Y77 | M71-R75 WeakPolarHBondContact CA-O 3.16Å; Q72-R75 PolarHBondContact N-O 3.34Å; Q72-R75 WeakPolarHBondContact O-CA 3.46Å; Q72-R75 VanDerWaalsContact O-CB 3.24Å; Q72-R75 WeakPolarHBondContact O-CB 3.39Å; Q72-R75 PolarHBondContact O-N 2.83Å; D73-R75 PolarHBondContact O-N 3.46Å; R75-Y77 HydrophobicContact CB-CE2 3.81Å |
| 76 | L | 85.6 | Confident | 88.8 | Confident | 2 Ų | 2 | 46.5 Ų | 46.5 | 1% | 0.01 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 132 | 178.1 | -170.4 | 66.4 | 0 | 0 | 0 | 111.4 | I35 V44 I52 V69 L78 F153 | I35-L76 HydrophobicContact CB-CB 4.28Å; I35-L76 HydrophobicContact CG1-CB 4.43Å; I35-L76 HydrophobicContact CG1-CD2 4.18Å; I35-L76 HydrophobicContact CG1-CG 4.38Å; I35-L76 PolarHBondContact N-O 2.94Å; V44-L76 HydrophobicContact CG1-CD2 4Å; V44-L76 HydrophobicContact CG2-CB 3.85Å; V44-L76 HydrophobicContact CG2-CD2 4.3Å; I52-L76 HydrophobicContact CD1-CD2 3.56Å; V69-L76 HydrophobicContact CG1-CD1 3.57Å; L76-L78 HydrophobicContact CD2-CD2 4.33Å; L76-L78 HydrophobicContact CG-CD2 4.24Å; L76-F153 HydrophobicContact CD2-CE1 3.5Å; L76-F153 HydrophobicContact CD2-CZ 3.55Å |
| 77 | Y | 89 | Confident | 89.1 | Confident | 14 Ų | 14 | 46 Ų | 46 | 6% | 0.055 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 126.7 | 174 | -62.5 | -96.9 | 0 | 0 | 0 | 109.6 | K33 K34 L70 Q72 R75 | K33-Y77 WeakPolarHBondContact O-CA 3.47Å; K34-Y77 HydrophobicContact CB-CD1 3.79Å; K34-Y77 HydrophobicContact CB-CE1 3.56Å; K34-Y77 HydrophobicContact CD-CE1 3.99Å; K34-Y77 HydrophobicContact CG-CD1 4.15Å; K34-Y77 HydrophobicContact CG-CE1 3.63Å; L70-Y77 PolarHBondContact N-O 3.34Å; L70-Y77 PolarHBondContact O-N 2.88Å; Q72-Y77 HydrophobicContact CB-CE2 4.28Å; R75-Y77 HydrophobicContact CB-CE2 3.81Å |
| 78 | L | 90.1 | Very high | 89.3 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 124.7 | 171 | -53.3 | -173.1 | 0 | 0 | 0 | 108.5 | K33 I35 I52 L66 V69 L76 F80 L149 | K33-L78 HydrophobicContact CB-CB 4.37Å; K33-L78 PolarHBondContact N-O 2.85Å; K33-L78 PolarHBondContact O-N 3.36Å; I35-L78 HydrophobicContact CD1-CD1 3.89Å; I35-L78 HydrophobicContact CD1-CG 4.17Å; I35-L78 HydrophobicContact CG1-CD1 4.26Å; I35-L78 HydrophobicContact CG1-CG 4.09Å; I52-L78 HydrophobicContact CD1-CD2 4.34Å; I52-L78 HydrophobicContact CG2-CD1 4.37Å; I52-L78 HydrophobicContact CG2-CD2 3.53Å; L66-L78 HydrophobicContact CD1-CB 3.89Å; L66-L78 HydrophobicContact CD1-CD2 4.48Å; V69-L78 HydrophobicContact CB-CD2 4.48Å; V69-L78 HydrophobicContact CG1-CD2 4.01Å; V69-L78 HydrophobicContact CG2-CD2 4.04Å; L76-L78 HydrophobicContact CD2-CD2 4.33Å; L76-L78 HydrophobicContact CG-CD2 4.24Å; L78-F80 HydrophobicContact CB-CD2 4.13Å; L78-F80 HydrophobicContact CB-CE2 3.36Å; L78-F80 HydrophobicContact CB-CZ 3.81Å; L78-F80 HydrophobicContact CD1-CE2 4.16Å; L78-F80 HydrophobicContact CD1-CZ 3.99Å; L78-F80 HydrophobicContact CG-CE2 4.41Å; L78-L149 HydrophobicContact CD1-CD2 3.6Å |
| 79 | I | 93.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 114.6 | -178.1 | -50.5 | -55 | 0 | 0 | 0 | 108.4 | Y4 V30 M32 Q67 D68 L70 | Y4-I79 HydrophobicContact CE1-CG2 3.68Å; Y4-I79 HydrophobicContact CE2-CG1 4.34Å; V30-I79 HydrophobicContact CB-CG2 3.91Å; V30-I79 HydrophobicContact CG1-CG2 4.07Å; V30-I79 HydrophobicContact CG2-CG2 4.07Å; M32-I79 HydrophobicContact CB-CD1 3.99Å; M32-I79 HydrophobicContact CE-CD1 3.69Å; M32-I79 HydrophobicContact CG-CD1 3.91Å; Q67-I79 WeakPolarHBondContact CA-O 3.36Å; Q67-I79 HydrophobicContact CB-CG2 4.37Å; Q67-I79 WeakPolarHBondContact CB-O 3.44Å; Q67-I79 PolarHBondContact N-O 3.47Å; D68-I79 HydrophobicContact CB-CB 4.08Å; D68-I79 HydrophobicContact CB-CG1 4.16Å; D68-I79 PolarHBondContact N-O 3.19Å; D68-I79 PolarHBondContact O-N 3.42Å; L70-I79 HydrophobicContact CD1-CD1 3.81Å; L70-I79 HydrophobicContact CD1-CG1 3.72Å; L70-I79 HydrophobicContact CG-CD1 4.4Å; L70-I79 HydrophobicContact CG-CG1 3.93Å |
| 80 | F | 93.3 | Very high | 89.9 | Confident | 28 Ų | 28 | 49.5 Ų | 49.5 | 12% | 0.123 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 160.1 | 179.4 | -62.4 | -82.6 | 0 | 0 | 0 | 110.9 | V30 A31 K33 V64 S65 L66 L78 | V30-F80 WeakPolarHBondContact CA-O 3.37Å; V30-F80 WeakPolarHBondContact CB-O 3.43Å; A31-F80 HydrophobicContact CB-CB 4.31Å; A31-F80 PolarHBondContact N-O 3.18Å; A31-F80 PolarHBondContact O-N 3.3Å; K33-F80 HydrophobicContact CB-CD2 4.38Å; K33-F80 HydrophobicContact CB-CE2 4.06Å; K33-F80 HydrophobicContact CD-CE2 4.4Å; V64-F80 HydrophobicContact CG1-CB 3.81Å; V64-F80 HydrophobicContact CG1-CD1 3.8Å; V64-F80 HydrophobicContact CG1-CG 4.1Å; S65-F80 WeakPolarHBondContact O-CA 3.41Å; L66-F80 HydrophobicContact CB-CD1 4.09Å; L66-F80 HydrophobicContact CB-CE1 3.83Å; L66-F80 HydrophobicContact CD1-CD1 4.08Å; L66-F80 HydrophobicContact CD1-CE1 3.71Å; L66-F80 HydrophobicContact CD1-CE2 4.38Å; L66-F80 HydrophobicContact CD1-CZ 3.88Å; L66-F80 HydrophobicContact CG-CE1 4.33Å; L78-F80 HydrophobicContact CB-CD2 4.13Å; L78-F80 HydrophobicContact CB-CE2 3.36Å; L78-F80 HydrophobicContact CB-CZ 3.81Å; L78-F80 HydrophobicContact CD1-CE2 4.16Å; L78-F80 HydrophobicContact CD1-CZ 3.99Å; L78-F80 HydrophobicContact CG-CE2 4.41Å |
| 81 | E | 92.9 | Very high | 90.3 | Very high | 37 Ų | 37 | 48.7 Ų | 48.7 | 17% | 0.173 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56 | 143.9 | 161.4 | 64 | -180 | 127.3 | 0 | 0 | 110.8 | V64 S65 L83 K143 | V64-E81 HydrophobicContact CG1-CG 3.92Å; S65-E81 WeakPolarHBondContact CB-OE1 3.46Å; S65-E81 PolarHBondContact N-OE1 3.4Å; S65-E81 PolarHBondContact O-N 3.19Å; E81-L83 HydrophobicContact CG-CD1 3.95Å; E81-K143 IonicContact OE1-NZ 2.88Å; E81-K143 PolarHBondContact OE1-NZ 2.96Å; E81-K143 IonicContact OE2-NZ 2.76Å; E81-K143 PolarHBondContact OE2-NZ 3.14Å |
| 82 | F | 93.8 | Very high | 90.9 | Very high | 60 Ų | 60 | 47.5 Ų | 47.5 | 26% | 0.263 | 24% | 0.238 | S | C | . | . | trans | -91.4 | 126 | 178.5 | 178.9 | -99.3 | 0 | 0 | 0 | 110.6 | I10 K20 V29 A31 | I10-F82 HydrophobicContact CD1-CD2 4.17Å; I10-F82 HydrophobicContact CD1-CE2 3.73Å; K20-F82 HydrophobicContact CB-CE2 4.39Å; K20-F82 HydrophobicContact CD-CE2 4.13Å; K20-F82 HydrophobicContact CD-CZ 4.11Å; K20-F82 HydrophobicContact CG-CD2 4.21Å; K20-F82 HydrophobicContact CG-CE2 4.01Å; K20-F82 HydrophobicContact CG-CZ 4.44Å; V29-F82 HydrophobicContact CB-CB 4.47Å; V29-F82 HydrophobicContact CG1-CB 3.92Å; V29-F82 HydrophobicContact CG1-CD1 3.78Å; V29-F82 HydrophobicContact CG1-CD2 4.42Å; V29-F82 HydrophobicContact CG1-CE1 4.43Å; V29-F82 HydrophobicContact CG1-CG 3.77Å; A31-F82 HydrophobicContact CB-CD2 4.39Å | ||
| 83 | L | 93.2 | Very high | 91.5 | Very high | 16 Ų | 16 | 47.6 Ų | 47.6 | 8% | 0.084 | 25% | 0.247 | C | C | . | . | trans | -113.9 | 141.6 | 165 | -67.1 | 99.1 | 0 | 0 | 0 | 108.5 | V64 E81 L135 D137 K143 | V64-L83 HydrophobicContact CG2-CD1 3.96Å; E81-L83 HydrophobicContact CG-CD1 3.95Å; L83-L135 HydrophobicContact CB-CB 3.76Å; L83-L135 HydrophobicContact CB-CD1 4.22Å; L83-L135 HydrophobicContact CD1-CB 4.05Å; L83-L135 HydrophobicContact CD1-CD1 4.04Å; L83-L135 HydrophobicContact CD2-CB 3.95Å; L83-L135 HydrophobicContact CG-CB 4.13Å; L83-D137 HydrophobicContact CD2-CB 4.33Å; L83-K143 HydrophobicContact CD1-CD 4.3Å; L83-K143 HydrophobicContact CD2-CB 4.44Å; L83-K143 HydrophobicContact CD2-CD 4.18Å; L83-K143 HydrophobicContact CD2-CG 4.1Å | ||
| 84 | S | 86.9 | Confident | 92.1 | Very high | 83 Ų | 83 | 42.9 Ų | 42.9 | 58% | 0.58 | 22% | 0.221 | S | C | * | . | S | Bend | trans | -78.2 | -23.8 | -168.2 | 54 | 0 | 0 | 0 | 0 | 113.8 | ||
| 85 | M | 92.8 | Very high | 93 | Very high | 58 Ų | 58 | 42.3 Ų | 42.3 | 29% | 0.286 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 143.7 | -169.6 | -175.2 | 156.6 | 55.7 | 0 | 0 | 111.5 | K89 Y90 L135 I136 | M85-K89 HydrophobicContact CG-CB 4.21Å; M85-Y90 HydrophobicContact CE-CD2 3.59Å; M85-Y90 HydrophobicContact CE-CE2 4.43Å; M85-Y90 HydrophobicContact CE-CG 4.29Å; M85-Y90 HydrophobicContact SD-CD2 4.21Å; M85-L135 WeakPolarHBondContact O-CA 3.33Å; M85-I136 HydrophobicContact CB-CG1 4.02Å; M85-I136 HydrophobicContact CE-CD1 3.76Å; M85-I136 HydrophobicContact CE-CG1 4.27Å; M85-I136 HydrophobicContact CG-CD1 4.24Å; M85-I136 HydrophobicContact CG-CG1 4.17Å; M85-I136 PolarHBondContact O-N 2.99Å |
| 86 | D | 94.9 | Very high | 93.6 | Very high | 23 Ų | 23 | 44 Ų | 44 | 12% | 0.123 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 155.1 | 167.5 | 59.6 | 73.7 | 0 | 0 | 0 | 110.2 | K88 K89 Y90 L134 L135 | D86-K88 PolarHBondContact O-N 2.87Å; D86-K88 WeakPolarHBondContact OD1-CB 3.16Å; D86-K88 PolarHBondContact OD1-N 2.99Å; D86-K89 PolarHBondContact O-N 3.22Å; D86-K89 WeakPolarHBondContact OD1-CG 3.37Å; D86-K89 PolarHBondContact OD1-N 2.82Å; D86-K89 WeakPolarHBondContact OD2-CD 3.31Å; D86-K89 WeakPolarHBondContact OD2-CE 3.31Å; D86-K89 IonicContact OD2-NZ 3.58Å; D86-K89 PolarHBondContact OD2-NZ 2.83Å; D86-Y90 PolarHBondContact O-N 2.83Å; D86-Y90 VanDerWaalsContact O-N 3.09Å; D86-L134 CarbonylContact C-O 3.57Å; D86-L134 WeakPolarHBondContact CA-O 3.46Å; D86-L135 HydrophobicContact CB-CD2 3.79Å |
| 87 | L | 96.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.5 | -30.6 | -176.7 | 178.9 | 66.4 | 0 | 0 | 0 | 111.6 | Y90 L91 M100 Y108 P131 L134 I142 I193 L197 | L87-Y90 HydrophobicContact CD1-CD1 4.15Å; L87-Y90 PolarHBondContact O-N 2.93Å; L87-L91 HydrophobicContact CD1-CG 4.34Å; L87-L91 HydrophobicContact CG-CD1 4.15Å; L87-L91 HydrophobicContact CG-CG 4.37Å; L87-L91 VanDerWaalsContact O-CG 3.31Å; L87-L91 WeakPolarHBondContact O-CG 3.3Å; L87-L91 PolarHBondContact O-N 2.85Å; L87-M100 HydrophobicContact CD1-CE 4.24Å; L87-Y108 HydrophobicContact CD1-CD2 4.22Å; L87-Y108 HydrophobicContact CD1-CE2 4.29Å; L87-P131 HydrophobicContact CB-CB 4.16Å; L87-P131 WeakPolarHBondContact CB-O 3.42Å; L87-P131 HydrophobicContact CD2-CB 4.17Å; L87-P131 HydrophobicContact CG-CB 4.18Å; L87-P131 PolarHBondContact N-O 3.28Å; L87-L134 HydrophobicContact CB-CB 3.89Å; L87-L134 HydrophobicContact CD2-CB 4.28Å; L87-L134 HydrophobicContact CD2-CD1 3.62Å; L87-L134 PolarHBondContact N-O 2.91Å; L87-I142 HydrophobicContact CD1-CD1 4.46Å; L87-I142 HydrophobicContact CD2-CD1 4.29Å; L87-I193 HydrophobicContact CD2-CG2 4.12Å; L87-L197 HydrophobicContact CD1-CD2 3.65Å; L87-L197 HydrophobicContact CD2-CD2 3.74Å; L87-L197 HydrophobicContact CD2-CG 4.42Å; L87-L197 HydrophobicContact CG-CD2 4.19Å |
| 88 | K | 95.1 | Very high | 94.3 | Very high | 40 Ų | 40 | 52.1 Ų | 52.1 | 17% | 0.174 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.7 | -52.1 | 177.5 | -177.1 | 60.8 | -170.2 | 141.2 | 0 | 111 | D86 Y90 L91 D92 P131 Q132 | D86-K88 PolarHBondContact O-N 2.87Å; D86-K88 WeakPolarHBondContact OD1-CB 3.16Å; D86-K88 PolarHBondContact OD1-N 2.99Å; K88-Y90 PolarHBondContact O-N 3Å; K88-L91 PolarHBondContact O-N 3.25Å; K88-D92 WeakPolarHBondContact CE-OD1 3.17Å; K88-D92 VanDerWaalsContact CE-OD2 3.26Å; K88-D92 WeakPolarHBondContact CE-OD2 3.2Å; K88-D92 IonicContact NZ-OD1 3.48Å; K88-D92 PolarHBondContact NZ-OD1 3.45Å; K88-D92 IonicContact NZ-OD2 2.76Å; K88-D92 PolarHBondContact NZ-OD2 3.4Å; K88-D92 VanDerWaalsContact O-CG 3.29Å; K88-D92 PolarHBondContact O-N 2.8Å; K88-P131 HydrophobicContact CB-CB 3.91Å; K88-P131 PolarHBondContact N-O 2.72Å; K88-Q132 HydrophobicContact CB-CG 3.96Å; K88-Q132 HydrophobicContact CG-CG 4.29Å |
| 89 | K | 94.8 | Very high | 94.6 | Very high | 119 Ų | 119 | 57.3 Ų | 57.3 | 52% | 0.517 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -59.2 | -38 | 175.9 | -74.3 | 176.8 | -168.9 | 140 | 0 | 112 | M85 D86 D92 S93 | M85-K89 HydrophobicContact CG-CB 4.21Å; D86-K89 PolarHBondContact O-N 3.22Å; D86-K89 WeakPolarHBondContact OD1-CG 3.37Å; D86-K89 PolarHBondContact OD1-N 2.82Å; D86-K89 WeakPolarHBondContact OD2-CD 3.31Å; D86-K89 WeakPolarHBondContact OD2-CE 3.31Å; D86-K89 IonicContact OD2-NZ 3.58Å; D86-K89 PolarHBondContact OD2-NZ 2.83Å; K89-D92 PolarHBondContact O-N 2.82Å; K89-S93 WeakPolarHBondContact O-CB 3.22Å; K89-S93 PolarHBondContact O-N 3.14Å |
| 90 | Y | 96.2 | Very high | 94.7 | Very high | 52 Ų | 52 | 58 Ų | 58 | 20% | 0.204 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.9 | -49.7 | 176.1 | -178.2 | -113.7 | 0 | 0 | 0 | 112.1 | M85 D86 L87 K88 D92 S93 I94 M100 L104 Y108 I136 | M85-Y90 HydrophobicContact CE-CD2 3.59Å; M85-Y90 HydrophobicContact CE-CE2 4.43Å; M85-Y90 HydrophobicContact CE-CG 4.29Å; M85-Y90 HydrophobicContact SD-CD2 4.21Å; D86-Y90 PolarHBondContact O-N 2.83Å; D86-Y90 VanDerWaalsContact O-N 3.09Å; L87-Y90 HydrophobicContact CD1-CD1 4.15Å; L87-Y90 PolarHBondContact O-N 2.93Å; K88-Y90 PolarHBondContact O-N 3Å; Y90-D92 VanDerWaalsContact C-N 3.29Å; Y90-D92 PolarHBondContact O-N 2.89Å; Y90-S93 WeakPolarHBondContact O-CB 3.24Å; Y90-S93 PolarHBondContact O-N 3.48Å; Y90-S93 VanDerWaalsContact O-N 3.09Å; Y90-S93 PolarHBondContact O-OG 3.5Å; Y90-I94 HydrophobicContact CE1-CD1 4.35Å; Y90-I94 PolarHBondContact O-N 3.41Å; Y90-M100 HydrophobicContact CD1-CE 3.65Å; Y90-M100 HydrophobicContact CE1-CE 3.41Å; Y90-M100 VanDerWaalsContact CE1-CE 3.41Å; Y90-M100 HydrophobicContact CE1-CG 4.26Å; Y90-M100 HydrophobicContact CE1-SD 4Å; Y90-L104 HydrophobicContact CE1-CD2 4.13Å; Y90-L104 VanDerWaalsContact OH-CD2 3.24Å; Y90-L104 WeakPolarHBondContact OH-CD2 2.99Å; Y90-Y108 HydrophobicContact CD1-CE2 4.45Å; Y90-Y108 HydrophobicContact CE1-CE2 4.24Å; Y90-I136 HydrophobicContact CD1-CD1 4.1Å; Y90-I136 HydrophobicContact CD2-CD1 3.98Å; Y90-I136 HydrophobicContact CG-CD1 3.61Å |
| 91 | L | 96.5 | Very high | 94.8 | Very high | 4 Ų | 4 | 61.1 Ų | 61.1 | 2% | 0.021 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -58.9 | -41.1 | 177 | -71.5 | 169.9 | 0 | 0 | 0 | 112.3 | L87 K88 S93 I94 M100 E196 | L87-L91 HydrophobicContact CD1-CG 4.34Å; L87-L91 HydrophobicContact CG-CD1 4.15Å; L87-L91 HydrophobicContact CG-CG 4.37Å; L87-L91 VanDerWaalsContact O-CG 3.31Å; L87-L91 WeakPolarHBondContact O-CG 3.3Å; L87-L91 PolarHBondContact O-N 2.85Å; K88-L91 PolarHBondContact O-N 3.25Å; L91-S93 VanDerWaalsContact C-N 3.28Å; L91-S93 PolarHBondContact O-N 2.99Å; L91-I94 HydrophobicContact CD2-CD1 4.42Å; L91-I94 PolarHBondContact O-N 3.26Å; L91-M100 HydrophobicContact CD2-CE 3.49Å; L91-M100 VanDerWaalsContact CD2-CE 3.49Å; L91-M100 HydrophobicContact CG-CE 4.4Å; L91-E196 HydrophobicContact CD1-CG 3.9Å |
| 92 | D | 95.6 | Very high | 94.9 | Very high | 103 Ų | 103 | 63 Ų | 63 | 55% | 0.551 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -69.7 | -25 | 178.6 | -65.6 | -19.8 | 0 | 0 | 0 | 112.4 | K88 K89 Y90 | K88-D92 WeakPolarHBondContact CE-OD1 3.17Å; K88-D92 VanDerWaalsContact CE-OD2 3.26Å; K88-D92 WeakPolarHBondContact CE-OD2 3.2Å; K88-D92 IonicContact NZ-OD1 3.48Å; K88-D92 PolarHBondContact NZ-OD1 3.45Å; K88-D92 IonicContact NZ-OD2 2.76Å; K88-D92 PolarHBondContact NZ-OD2 3.4Å; K88-D92 VanDerWaalsContact O-CG 3.29Å; K88-D92 PolarHBondContact O-N 2.8Å; K89-D92 PolarHBondContact O-N 2.82Å; Y90-D92 VanDerWaalsContact C-N 3.29Å; Y90-D92 PolarHBondContact O-N 2.89Å |
| 93 | S | 96.1 | Very high | 95 | Very high | 75 Ų | 75 | 63.7 Ų | 63.7 | 52% | 0.524 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -76 | -19.8 | 176.5 | 79 | 0 | 0 | 0 | 0 | 113.9 | K89 Y90 L91 P95 | K89-S93 WeakPolarHBondContact O-CB 3.22Å; K89-S93 PolarHBondContact O-N 3.14Å; Y90-S93 WeakPolarHBondContact O-CB 3.24Å; Y90-S93 PolarHBondContact O-N 3.48Å; Y90-S93 VanDerWaalsContact O-N 3.09Å; Y90-S93 PolarHBondContact O-OG 3.5Å; L91-S93 VanDerWaalsContact C-N 3.28Å; L91-S93 PolarHBondContact O-N 2.99Å; S93-P95 WeakPolarHBondContact O-CD 3.43Å |
| 94 | I | 95.9 | Very high | 95.1 | Very high | 19 Ų | 19 | 64.7 Ų | 64.7 | 10% | 0.097 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -71.2 | 120.9 | -179.2 | -59.9 | 170.4 | 0 | 0 | 0 | 109.2 | Y90 L91 Q98 M100 K200 | Y90-I94 HydrophobicContact CE1-CD1 4.35Å; Y90-I94 PolarHBondContact O-N 3.41Å; L91-I94 HydrophobicContact CD2-CD1 4.42Å; L91-I94 PolarHBondContact O-N 3.26Å; I94-Q98 HydrophobicContact CG2-CB 3.9Å; I94-M100 HydrophobicContact CD1-CB 4.03Å; I94-M100 HydrophobicContact CD1-CE 4.36Å; I94-K200 HydrophobicContact CB-CD 3.81Å; I94-K200 HydrophobicContact CD1-CD 4.08Å; I94-K200 HydrophobicContact CG2-CD 3.76Å; I94-K200 PolarHBondContact O-NZ 3.42Å |
| 95 | P | 97 | Very high | 95.6 | Very high | 62 Ų | 62 | 60.9 Ų | 60.9 | 40% | 0.403 | 35% | 0.346 | S | S | . | . | P | Polyproline II helix | trans | -53.5 | 151 | -175.2 | -27.8 | 34.8 | 0 | 0 | 0 | 114.2 | S93 G97 Q98 K200 | S93-P95 WeakPolarHBondContact O-CD 3.43Å; P95-G97 PolarHBondContact O-N 2.91Å; P95-Q98 HydrophobicContact CB-CG 4.38Å; P95-Q98 PolarHBondContact O-N 2.82Å; P95-Q98 VanDerWaalsContact O-N 3.09Å; P95-K200 PolarHBondContact O-NZ 3.33Å |
| 96 | P | 95.1 | Very high | 95.8 | Very high | 130 Ų | 130 | 58.9 Ų | 58.9 | 84% | 0.844 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.1 | 136.7 | 172.3 | -25.9 | 34.9 | 0 | 0 | 0 | 111.8 | Q98 | P96-Q98 PolarHBondContact O-N 3.01Š|
| 97 | G | 93.1 | Very high | 95.9 | Very high | 70 Ų | 70 | 58.2 Ų | 58.2 | 72% | 0.722 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.4 | -13.3 | -178 | 0 | 0 | 0 | 0 | 0 | 115.7 | P95 | P95-G97 PolarHBondContact O-N 2.91Š|
| 98 | Q | 96.6 | Very high | 96 | Very high | 115 Ų | 115 | 58.6 Ų | 58.6 | 54% | 0.537 | 34% | 0.335 | S | S | . | . | trans | -97.3 | 157.6 | 172.2 | -61.5 | -175.6 | 13.1 | 0 | 0 | 111.4 | I94 P95 P96 K200 | I94-Q98 HydrophobicContact CG2-CB 3.9Å; P95-Q98 HydrophobicContact CB-CG 4.38Å; P95-Q98 PolarHBondContact O-N 2.82Å; P95-Q98 VanDerWaalsContact O-N 3.09Å; P96-Q98 PolarHBondContact O-N 3.01Å; Q98-K200 WeakPolarHBondContact O-CD 3.45Å; Q98-K200 WeakPolarHBondContact O-CE 3.39Å; Q98-K200 PolarHBondContact O-NZ 2.79Å | ||
| 99 | Y | 96.9 | Very high | 96.1 | Very high | 110 Ų | 110 | 56.7 Ų | 56.7 | 43% | 0.431 | 33% | 0.327 | S | S | . | . | trans | -129.3 | 162.9 | 179.1 | -61.9 | -85.8 | 0 | 0 | 0 | 110 | K200 | Y99-K200 HydrophobicContact CD1-CG 4.3Š| ||
| 100 | M | 96 | Very high | 96.3 | Very high | 14 Ų | 14 | 52.2 Ų | 52.2 | 7% | 0.069 | 31% | 0.307 | C | S | . | . | trans | -63.3 | 140.5 | 170.4 | -168.1 | 177.2 | -50.5 | 0 | 0 | 109.2 | L87 Y90 L91 I94 S102 L104 V105 Y108 L197 | L87-M100 HydrophobicContact CD1-CE 4.24Å; Y90-M100 HydrophobicContact CD1-CE 3.65Å; Y90-M100 HydrophobicContact CE1-CE 3.41Å; Y90-M100 VanDerWaalsContact CE1-CE 3.41Å; Y90-M100 HydrophobicContact CE1-CG 4.26Å; Y90-M100 HydrophobicContact CE1-SD 4Å; L91-M100 HydrophobicContact CD2-CE 3.49Å; L91-M100 VanDerWaalsContact CD2-CE 3.49Å; L91-M100 HydrophobicContact CG-CE 4.4Å; I94-M100 HydrophobicContact CD1-CB 4.03Å; I94-M100 HydrophobicContact CD1-CE 4.36Å; M100-S102 PolarHBondContact O-N 3.31Å; M100-L104 HydrophobicContact CG-CB 4.19Å; M100-L104 HydrophobicContact CG-CD2 3.98Å; M100-L104 HydrophobicContact CG-CG 4.25Å; M100-L104 HydrophobicContact SD-CB 4.4Å; M100-L104 HydrophobicContact SD-CD2 4.11Å; M100-L104 HydrophobicContact SD-CG 4.04Å; M100-V105 HydrophobicContact CB-CG2 3.79Å; M100-V105 HydrophobicContact CG-CG2 3.81Å; M100-V105 HydrophobicContact SD-CG2 3.78Å; M100-Y108 HydrophobicContact SD-CD2 3.97Å; M100-Y108 HydrophobicContact SD-CE2 4.21Å; M100-L197 HydrophobicContact CE-CD2 3.51Å; M100-L197 HydrophobicContact SD-CD2 3.93Å | ||
| 101 | D | 95.1 | Very high | 96.4 | Very high | 93 Ų | 93 | 49.9 Ų | 49.9 | 50% | 0.497 | 30% | 0.297 | S | S | . | . | trans | -60 | 135.5 | 175.5 | -174.1 | -88.4 | 0 | 0 | 0 | 110.7 | S103 L104 V105 | D101-S103 PolarHBondContact O-N 3.41Å; D101-S103 VanDerWaalsContact OD1-CB 3.24Å; D101-S103 WeakPolarHBondContact OD1-CB 3.49Å; D101-S103 PolarHBondContact OD1-N 2.85Å; D101-S103 PolarHBondContact OD1-OG 3.05Å; D101-L104 HydrophobicContact CB-CB 4.37Å; D101-L104 WeakPolarHBondContact O-CB 3.15Å; D101-L104 PolarHBondContact O-N 2.75Å; D101-V105 WeakPolarHBondContact O-CG2 3.44Å; D101-V105 PolarHBondContact O-N 2.98Å | ||
| 102 | S | 95.3 | Very high | 96.5 | Very high | 77 Ų | 77 | 49.8 Ų | 49.8 | 54% | 0.538 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60.3 | -31.2 | -175.6 | 66.1 | 0 | 0 | 0 | 0 | 113.5 | M100 K106 | M100-S102 PolarHBondContact O-N 3.31Å; S102-K106 WeakPolarHBondContact O-CB 3.38Å; S102-K106 PolarHBondContact O-N 3.05Å |
| 103 | S | 94.7 | Very high | 96.7 | Very high | 74 Ų | 74 | 44.9 Ų | 44.9 | 52% | 0.517 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -69.8 | -37 | 175.6 | 71.7 | 0 | 0 | 0 | 0 | 111.4 | D101 K106 S107 | D101-S103 PolarHBondContact O-N 3.41Å; D101-S103 VanDerWaalsContact OD1-CB 3.24Å; D101-S103 WeakPolarHBondContact OD1-CB 3.49Å; D101-S103 PolarHBondContact OD1-N 2.85Å; D101-S103 PolarHBondContact OD1-OG 3.05Å; S103-K106 PolarHBondContact O-N 3.08Å; S103-S107 WeakPolarHBondContact O-CB 3.47Å; S103-S107 PolarHBondContact O-N 3.1Å |
| 104 | L | 95.3 | Very high | 96.7 | Very high | 37 Ų | 37 | 42.1 Ų | 42.1 | 19% | 0.194 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -70.8 | -40.6 | 175.5 | -172.5 | 61.8 | 0 | 0 | 0 | 111.5 | Y90 M100 D101 K106 S107 Y108 | Y90-L104 HydrophobicContact CE1-CD2 4.13Å; Y90-L104 VanDerWaalsContact OH-CD2 3.24Å; Y90-L104 WeakPolarHBondContact OH-CD2 2.99Å; M100-L104 HydrophobicContact CG-CB 4.19Å; M100-L104 HydrophobicContact CG-CD2 3.98Å; M100-L104 HydrophobicContact CG-CG 4.25Å; M100-L104 HydrophobicContact SD-CB 4.4Å; M100-L104 HydrophobicContact SD-CD2 4.11Å; M100-L104 HydrophobicContact SD-CG 4.04Å; D101-L104 HydrophobicContact CB-CB 4.37Å; D101-L104 WeakPolarHBondContact O-CB 3.15Å; D101-L104 PolarHBondContact O-N 2.75Å; L104-K106 VanDerWaalsContact C-N 3.3Å; L104-K106 PolarHBondContact O-N 3.01Å; L104-S107 PolarHBondContact O-N 3.15Å; L104-Y108 HydrophobicContact CD1-CD1 4.13Å; L104-Y108 HydrophobicContact CD1-CD2 4.45Å; L104-Y108 HydrophobicContact CD1-CE1 3.72Å; L104-Y108 HydrophobicContact CD1-CE2 4.06Å; L104-Y108 HydrophobicContact CD1-CG 4.49Å; L104-Y108 HydrophobicContact CD2-CE2 4.13Å; L104-Y108 HydrophobicContact CG-CD2 4.2Å; L104-Y108 HydrophobicContact CG-CE1 4.45Å; L104-Y108 HydrophobicContact CG-CE2 3.91Å; L104-Y108 WeakPolarHBondContact O-CB 3.37Å; L104-Y108 PolarHBondContact O-N 3.31Å |
| 105 | V | 97.2 | Very high | 96.8 | Very high | 4 Ų | 4 | 41.2 Ų | 41.2 | 2% | 0.024 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -55.5 | -48.3 | 171.5 | 172.5 | 0 | 0 | 0 | 0 | 110.3 | M100 D101 Y108 L109 F194 L197 | M100-V105 HydrophobicContact CB-CG2 3.79Å; M100-V105 HydrophobicContact CG-CG2 3.81Å; M100-V105 HydrophobicContact SD-CG2 3.78Å; D101-V105 WeakPolarHBondContact O-CG2 3.44Å; D101-V105 PolarHBondContact O-N 2.98Å; V105-Y108 PolarHBondContact O-N 3.27Å; V105-L109 WeakPolarHBondContact O-CB 3.14Å; V105-L109 PolarHBondContact O-N 3.04Å; V105-F194 HydrophobicContact CG1-CD2 4Å; V105-F194 HydrophobicContact CG1-CE2 3.76Å; V105-L197 HydrophobicContact CG1-CB 3.93Å; V105-L197 HydrophobicContact CG1-CD1 4.47Å; V105-L197 HydrophobicContact CG2-CB 4.21Å |
| 106 | K | 97.3 | Very high | 96.7 | Very high | 16 Ų | 16 | 38.3 Ų | 38.3 | 7% | 0.07 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.6 | -44.9 | 178.6 | -171.2 | 177.7 | -66.5 | -169.6 | 0 | 111.8 | S102 S103 L104 Y110 Y286 F287 D289 L290 | S102-K106 WeakPolarHBondContact O-CB 3.38Å; S102-K106 PolarHBondContact O-N 3.05Å; S103-K106 PolarHBondContact O-N 3.08Å; L104-K106 VanDerWaalsContact C-N 3.3Å; L104-K106 PolarHBondContact O-N 3.01Å; K106-Y110 WeakPolarHBondContact O-CB 3.43Å; K106-Y110 PolarHBondContact O-N 2.89Å; K106-Y286 HydrophobicContact CB-CE1 4.05Å; K106-Y286 WeakPolarHBondContact CD-O 3.41Å; K106-Y286 WeakPolarHBondContact CE-O 3.21Å; K106-Y286 HydrophobicContact CG-CD1 4.23Å; K106-Y286 HydrophobicContact CG-CE1 3.8Å; K106-Y286 PolarHBondContact NZ-O 3.15Å; K106-F287 HydrophobicContact CD-CD1 4.47Å; K106-F287 HydrophobicContact CG-CD1 3.67Å; K106-F287 HydrophobicContact CG-CE1 4Å; K106-D289 IonicContact NZ-OD1 3.47Å; K106-D289 PolarHBondContact NZ-OD1 2.92Å; K106-D289 IonicContact NZ-OD2 2.73Å; K106-D289 PolarHBondContact NZ-OD2 3.49Å; K106-L290 HydrophobicContact CD-CB 4.13Å; K106-L290 HydrophobicContact CD-CD1 4.4Å; K106-L290 HydrophobicContact CG-CB 4.37Å; K106-L290 HydrophobicContact CG-CD1 4.16Å |
| 107 | S | 97.4 | Very high | 96.8 | Very high | 9 Ų | 9 | 33.8 Ų | 33.8 | 6% | 0.063 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59 | -51.2 | 175.9 | 175.5 | 0 | 0 | 0 | 0 | 112.2 | S103 L104 Y110 Q111 | S103-S107 WeakPolarHBondContact O-CB 3.47Å; S103-S107 PolarHBondContact O-N 3.1Å; L104-S107 PolarHBondContact O-N 3.15Å; S107-Y110 PolarHBondContact O-N 3.13Å; S107-Q111 WeakPolarHBondContact O-CB 3.48Å; S107-Q111 WeakPolarHBondContact O-CG 3.19Å; S107-Q111 PolarHBondContact O-N 2.88Å; S107-Q111 PolarHBondContact OG-NE2 2.9Å |
| 108 | Y | 98 | Very high | 96.9 | Very high | 7 Ų | 7 | 31.9 Ų | 31.9 | 3% | 0.027 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.3 | -43.6 | -179.8 | -75.9 | -11 | 0 | 0 | 0 | 112.4 | L87 Y90 M100 L104 V105 Y110 Q111 I112 I136 G140 I142 L197 | L87-Y108 HydrophobicContact CD1-CD2 4.22Å; L87-Y108 HydrophobicContact CD1-CE2 4.29Å; Y90-Y108 HydrophobicContact CD1-CE2 4.45Å; Y90-Y108 HydrophobicContact CE1-CE2 4.24Å; M100-Y108 HydrophobicContact SD-CD2 3.97Å; M100-Y108 HydrophobicContact SD-CE2 4.21Å; L104-Y108 HydrophobicContact CD1-CD1 4.13Å; L104-Y108 HydrophobicContact CD1-CD2 4.45Å; L104-Y108 HydrophobicContact CD1-CE1 3.72Å; L104-Y108 HydrophobicContact CD1-CE2 4.06Å; L104-Y108 HydrophobicContact CD1-CG 4.49Å; L104-Y108 HydrophobicContact CD2-CE2 4.13Å; L104-Y108 HydrophobicContact CG-CD2 4.2Å; L104-Y108 HydrophobicContact CG-CE1 4.45Å; L104-Y108 HydrophobicContact CG-CE2 3.91Å; L104-Y108 WeakPolarHBondContact O-CB 3.37Å; L104-Y108 PolarHBondContact O-N 3.31Å; V105-Y108 PolarHBondContact O-N 3.27Å; Y108-Y110 VanDerWaalsContact C-N 3.3Å; Y108-Y110 PolarHBondContact O-N 3.47Å; Y108-Q111 PolarHBondContact O-N 3.31Å; Y108-I112 WeakPolarHBondContact O-CB 3.46Å; Y108-I112 WeakPolarHBondContact O-CD1 3.34Å; Y108-I112 WeakPolarHBondContact O-CG1 3.21Å; Y108-I112 PolarHBondContact O-N 3.46Å; Y108-I136 HydrophobicContact CE1-CG2 4.2Å; Y108-I136 HydrophobicContact CE2-CG2 4.17Å; Y108-G140 WeakPolarHBondContact CE1-O 3.2Å; Y108-I142 HydrophobicContact CD1-CB 3.76Å; Y108-I142 HydrophobicContact CD1-CD1 4.26Å; Y108-I142 HydrophobicContact CD1-CG2 3.78Å; Y108-I142 HydrophobicContact CD2-CD1 4.12Å; Y108-I142 HydrophobicContact CE1-CB 4.09Å; Y108-I142 HydrophobicContact CG-CB 4.26Å; Y108-I142 HydrophobicContact CG-CD1 3.91Å; Y108-I142 HydrophobicContact CG-CG2 4.21Å; Y108-L197 HydrophobicContact CD2-CD2 4.39Å |
| 109 | L | 98.6 | Very high | 96.7 | Very high | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -59.5 | -43.7 | 176.4 | -177.2 | 64 | 0 | 0 | 0 | 111.5 | V105 I112 L113 I190 F194 L263 M267 Y286 F287 | V105-L109 WeakPolarHBondContact O-CB 3.14Å; V105-L109 PolarHBondContact O-N 3.04Å; L109-I112 PolarHBondContact O-N 3.38Å; L109-L113 HydrophobicContact CD1-CD1 4.5Å; L109-L113 HydrophobicContact CG-CD1 4.14Å; L109-L113 WeakPolarHBondContact O-CB 3.41Å; L109-L113 VanDerWaalsContact O-CG 3.3Å; L109-L113 WeakPolarHBondContact O-CG 3.38Å; L109-L113 PolarHBondContact O-N 3.02Å; L109-I190 HydrophobicContact CD1-CG2 3.61Å; L109-F194 HydrophobicContact CD1-CB 3.89Å; L109-F194 HydrophobicContact CD1-CD2 4.43Å; L109-F194 HydrophobicContact CD1-CG 4.07Å; L109-F194 HydrophobicContact CD2-CB 4.38Å; L109-F194 HydrophobicContact CD2-CD1 3.65Å; L109-F194 HydrophobicContact CD2-CD2 3.66Å; L109-F194 HydrophobicContact CD2-CE1 3.71Å; L109-F194 HydrophobicContact CD2-CE2 3.71Å; L109-F194 HydrophobicContact CD2-CG 3.63Å; L109-F194 HydrophobicContact CD2-CZ 3.74Å; L109-F194 HydrophobicContact CG-CD2 4.45Å; L109-F194 HydrophobicContact CG-CG 4.42Å; L109-L263 HydrophobicContact CD2-CD2 3.9Å; L109-M267 HydrophobicContact CD1-CE 4.26Å; L109-M267 HydrophobicContact CD2-CE 4.44Å; L109-Y286 HydrophobicContact CD2-CD1 4.36Å; L109-Y286 HydrophobicContact CD2-CE1 4.07Å; L109-F287 HydrophobicContact CB-CE1 4.33Å; L109-F287 HydrophobicContact CB-CZ 4.35Å; L109-F287 HydrophobicContact CD2-CE1 4.16Å; L109-F287 HydrophobicContact CD2-CZ 3.66Å; L109-F287 HydrophobicContact CG-CE1 4.32Å; L109-F287 HydrophobicContact CG-CZ 3.85Å |
| 110 | Y | 98.6 | Very high | 96.4 | Very high | 25 Ų | 25 | 22.7 Ų | 22.7 | 10% | 0.098 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -62.5 | -48 | 179.6 | -167.3 | -92 | 0 | 0 | 0 | 111.7 | K106 S107 Y108 I112 L113 Q114 L282 F287 L290 I294 K295 | K106-Y110 WeakPolarHBondContact O-CB 3.43Å; K106-Y110 PolarHBondContact O-N 2.89Å; S107-Y110 PolarHBondContact O-N 3.13Å; Y108-Y110 VanDerWaalsContact C-N 3.3Å; Y108-Y110 PolarHBondContact O-N 3.47Å; Y110-I112 PolarHBondContact O-N 2.96Å; Y110-L113 WeakPolarHBondContact O-CB 3.4Å; Y110-L113 PolarHBondContact O-N 2.95Å; Y110-L113 VanDerWaalsContact O-N 3.13Å; Y110-Q114 HydrophobicContact CD1-CG 3.98Å; Y110-Q114 HydrophobicContact CE1-CG 3.76Å; Y110-Q114 WeakPolarHBondContact O-CG 3.5Å; Y110-Q114 PolarHBondContact O-N 2.99Å; Y110-L282 HydrophobicContact CD1-CD2 4.23Å; Y110-L282 HydrophobicContact CD2-CD2 3.68Å; Y110-L282 HydrophobicContact CE1-CD2 4.04Å; Y110-L282 HydrophobicContact CE2-CB 4.35Å; Y110-L282 HydrophobicContact CE2-CD2 3.52Å; Y110-L282 HydrophobicContact CG-CD2 4.06Å; Y110-F287 HydrophobicContact CD2-CB 3.93Å; Y110-F287 AromaticContact CD2-CD1 3.59Å; Y110-F287 HydrophobicContact CD2-CD1 3.59Å; Y110-F287 AromaticContact CD2-CD2 3.85Å; Y110-F287 HydrophobicContact CD2-CD2 3.85Å; Y110-F287 AromaticContact CD2-CE1 3.96Å; Y110-F287 HydrophobicContact CD2-CE1 3.96Å; Y110-F287 HydrophobicContact CD2-CE2 4.2Å; Y110-F287 AromaticContact CD2-CG 3.52Å; Y110-F287 HydrophobicContact CD2-CG 3.52Å; Y110-F287 HydrophobicContact CD2-CZ 4.24Å; Y110-F287 HydrophobicContact CE2-CB 4.1Å; Y110-F287 HydrophobicContact CE2-CD2 4.31Å; Y110-F287 HydrophobicContact CE2-CG 4.1Å; Y110-F287 HydrophobicContact CG-CD1 4.25Å; Y110-F287 HydrophobicContact CG-CE1 4.4Å; Y110-L290 VanDerWaalsContact CB-CD2 3.47Å; Y110-L290 HydrophobicContact CD1-CD2 3.92Å; Y110-L290 HydrophobicContact CD2-CD2 3.86Å; Y110-L290 HydrophobicContact CG-CD2 3.46Å; Y110-L290 VanDerWaalsContact CG-CD2 3.46Å; Y110-I294 HydrophobicContact CD1-CG2 4.35Å; Y110-K295 HydrophobicContact CE1-CB 4.18Å; Y110-K295 HydrophobicContact CE1-CG 3.97Å; Y110-K295 HydrophobicContact CE2-CG 4.38Å |
| 111 | Q | 98.4 | Very high | 96.2 | Very high | 2 Ų | 2 | 26 Ų | 26 | 1% | 0.009 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.4 | -40.6 | 177.7 | -77 | -176.8 | 68.5 | 0 | 0 | 113 | N62 S107 Y108 L113 Q114 G115 G140 I142 I294 | N62-Q111 WeakPolarHBondContact CB-O 3.47Å; N62-Q111 VanDerWaalsContact ND2-CB 3.33Å; N62-Q111 WeakPolarHBondContact ND2-CB 3.33Å; N62-Q111 WeakPolarHBondContact ND2-CG 3.25Å; N62-Q111 PolarHBondContact ND2-OE1 2.85Å; S107-Q111 WeakPolarHBondContact O-CB 3.48Å; S107-Q111 WeakPolarHBondContact O-CG 3.19Å; S107-Q111 PolarHBondContact O-N 2.88Å; S107-Q111 PolarHBondContact OG-NE2 2.9Å; Y108-Q111 PolarHBondContact O-N 3.31Å; Q111-L113 VanDerWaalsContact C-N 3.31Å; Q111-L113 PolarHBondContact O-N 3.37Å; Q111-Q114 PolarHBondContact O-N 3.04Å; Q111-G115 PolarHBondContact O-N 3.3Å; Q111-G140 PolarHBondContact NE2-O 3.15Å; Q111-I142 HydrophobicContact CB-CG2 3.36Å; Q111-I142 HydrophobicContact CG-CG2 4.3Å; Q111-I294 HydrophobicContact CG-CG2 4.16Å |
| 112 | I | 98.6 | Very high | 95.8 | Very high | 2 Ų | 2 | 27.5 Ų | 27.5 | 1% | 0.01 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -59 | -45 | 172.4 | -72.3 | 164.1 | 0 | 0 | 0 | 110.3 | Y108 L109 Y110 G115 I116 L134 I142 L144 I190 | Y108-I112 WeakPolarHBondContact O-CB 3.46Å; Y108-I112 WeakPolarHBondContact O-CD1 3.34Å; Y108-I112 WeakPolarHBondContact O-CG1 3.21Å; Y108-I112 PolarHBondContact O-N 3.46Å; L109-I112 PolarHBondContact O-N 3.38Å; Y110-I112 PolarHBondContact O-N 2.96Å; I112-G115 PolarHBondContact O-N 3.44Å; I112-I116 PolarHBondContact O-N 2.89Å; I112-L134 HydrophobicContact CD1-CD1 3.7Å; I112-L134 HydrophobicContact CD1-CD2 4.39Å; I112-L134 HydrophobicContact CG1-CD1 4.34Å; I112-L134 HydrophobicContact CG1-CD2 4.12Å; I112-I142 HydrophobicContact CD1-CD1 3.92Å; I112-I142 HydrophobicContact CG1-CD1 4.16Å; I112-I142 HydrophobicContact CG1-CG1 4.36Å; I112-I142 HydrophobicContact CG1-CG2 4.09Å; I112-L144 HydrophobicContact CG1-CD2 4.44Å; I112-L144 HydrophobicContact CG2-CD2 4.21Å; I112-I190 HydrophobicContact CG2-CB 4.49Å; I112-I190 HydrophobicContact CG2-CD1 3.79Å; I112-I190 HydrophobicContact CG2-CG1 3.69Å; I112-I190 HydrophobicContact CG2-CG2 4.02Å |
| 113 | L | 98.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65.1 | -38.9 | 178 | -73.7 | 168.5 | 0 | 0 | 0 | 112.2 | L109 Y110 Q111 I116 V117 I190 M267 A281 L282 F287 | L109-L113 HydrophobicContact CD1-CD1 4.5Å; L109-L113 HydrophobicContact CG-CD1 4.14Å; L109-L113 WeakPolarHBondContact O-CB 3.41Å; L109-L113 VanDerWaalsContact O-CG 3.3Å; L109-L113 WeakPolarHBondContact O-CG 3.38Å; L109-L113 PolarHBondContact O-N 3.02Å; Y110-L113 WeakPolarHBondContact O-CB 3.4Å; Y110-L113 PolarHBondContact O-N 2.95Å; Y110-L113 VanDerWaalsContact O-N 3.13Å; Q111-L113 VanDerWaalsContact C-N 3.31Å; Q111-L113 PolarHBondContact O-N 3.37Å; L113-I116 WeakPolarHBondContact O-CG2 3.35Å; L113-I116 PolarHBondContact O-N 3.18Å; L113-V117 WeakPolarHBondContact O-CB 3.43Å; L113-V117 WeakPolarHBondContact O-CG2 3.48Å; L113-V117 PolarHBondContact O-N 2.87Å; L113-I190 HydrophobicContact CD2-CD1 4.43Å; L113-I190 HydrophobicContact CD2-CG2 4.24Å; L113-M267 HydrophobicContact CD1-CE 3.93Å; L113-M267 HydrophobicContact CD2-CE 3.99Å; L113-M267 HydrophobicContact CG-CE 4.41Å; L113-A281 HydrophobicContact CD1-CB 3.81Å; L113-A281 HydrophobicContact CD2-CB 3.92Å; L113-L282 HydrophobicContact CB-CD2 3.57Å; L113-L282 HydrophobicContact CB-CG 3.93Å; L113-L282 HydrophobicContact CD1-CD2 4.46Å; L113-F287 HydrophobicContact CD1-CE2 3.8Å; L113-F287 HydrophobicContact CD1-CZ 3.75Å |
| 114 | Q | 98.1 | Very high | 94.9 | Very high | 18 Ų | 18 | 32.8 Ų | 32.8 | 8% | 0.084 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.8 | -48.3 | 174.8 | -69.1 | 178.5 | -73.7 | 0 | 0 | 111.2 | Y110 Q111 I116 V117 F118 L282 M297 | Y110-Q114 HydrophobicContact CD1-CG 3.98Å; Y110-Q114 HydrophobicContact CE1-CG 3.76Å; Y110-Q114 WeakPolarHBondContact O-CG 3.5Å; Y110-Q114 PolarHBondContact O-N 2.99Å; Q111-Q114 PolarHBondContact O-N 3.04Å; Q114-I116 PolarHBondContact O-N 3.17Å; Q114-V117 PolarHBondContact O-N 2.78Å; Q114-F118 PolarHBondContact O-N 3.3Å; Q114-L282 HydrophobicContact CG-CD1 4.33Å; Q114-L282 HydrophobicContact CG-CD2 3.8Å; Q114-M297 PolarHBondContact NE2-OXT 3.44Å |
| 115 | G | 96.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -57.1 | -47.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q111 I112 F118 C119 | Q111-G115 PolarHBondContact O-N 3.3Å; I112-G115 PolarHBondContact O-N 3.44Å; G115-F118 WeakPolarHBondContact O-CB 3.41Å; G115-F118 PolarHBondContact O-N 3.42Å; G115-C119 PolarHBondContact O-N 2.9Å; G115-C119 PolarHBondContact O-SG 2.83Å |
| 116 | I | 96.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -71.4 | -35 | -176.5 | -155.9 | 60.7 | 0 | 0 | 0 | 112.4 | I112 L113 Q114 F118 C119 H120 H126 L129 L144 D186 I187 I190 | I112-I116 PolarHBondContact O-N 2.89Å; L113-I116 WeakPolarHBondContact O-CG2 3.35Å; L113-I116 PolarHBondContact O-N 3.18Å; Q114-I116 PolarHBondContact O-N 3.17Å; I116-F118 VanDerWaalsContact C-N 3.31Å; I116-F118 PolarHBondContact O-N 2.88Å; I116-C119 HydrophobicContact CD1-CB 4.46Å; I116-C119 WeakPolarHBondContact O-CB 3.34Å; I116-C119 PolarHBondContact O-N 3.47Å; I116-H120 WeakPolarHBondContact CG1-NE2 3.35Å; I116-H120 WeakPolarHBondContact O-CB 3.46Å; I116-H120 PolarHBondContact O-CD2 2.95Å; I116-H120 VanDerWaalsContact O-CG 3.26Å; I116-H120 PolarHBondContact O-N 3.22Å; I116-H126 HydrophobicContact CD1-CB 4Å; I116-L129 HydrophobicContact CD1-CD1 4.01Å; I116-L129 HydrophobicContact CG1-CD1 4.44Å; I116-L144 HydrophobicContact CB-CD1 4.22Å; I116-L144 HydrophobicContact CD1-CD1 4.21Å; I116-D186 HydrophobicContact CD1-CB 3.97Å; I116-D186 HydrophobicContact CG1-CB 3.93Å; I116-I187 HydrophobicContact CG2-CD1 4.36Å; I116-I190 HydrophobicContact CB-CD1 3.93Å; I116-I190 HydrophobicContact CG1-CD1 4.06Å; I116-I190 HydrophobicContact CG2-CD1 3.6Å |
| 117 | V | 97.2 | Very high | 93.4 | Very high | 35 Ų | 35 | 36.5 Ų | 36.5 | 21% | 0.212 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.2 | -41.3 | 175.3 | 167.2 | 0 | 0 | 0 | 0 | 110.5 | L113 Q114 C119 H120 S121 K279 L282 | L113-V117 WeakPolarHBondContact O-CB 3.43Å; L113-V117 WeakPolarHBondContact O-CG2 3.48Å; L113-V117 PolarHBondContact O-N 2.87Å; Q114-V117 PolarHBondContact O-N 2.78Å; V117-C119 VanDerWaalsContact C-N 3.3Å; V117-C119 PolarHBondContact O-N 2.85Å; V117-H120 PolarHBondContact O-N 2.98Å; V117-S121 WeakPolarHBondContact O-CB 3.19Å; V117-S121 PolarHBondContact O-N 3.33Å; V117-S121 PolarHBondContact O-OG 3.32Å; V117-K279 VanDerWaalsContact CG2-N 3.34Å; V117-L282 HydrophobicContact CB-CD1 4.34Å; V117-L282 HydrophobicContact CG2-CD1 3.92Å |
| 118 | F | 94.8 | Very high | 92.8 | Very high | 31 Ų | 31 | 37.9 Ų | 37.9 | 14% | 0.136 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -58.1 | -43.8 | 174.2 | 179.5 | -84.4 | 0 | 0 | 0 | 111.6 | L58 R59 H60 I63 Q114 G115 I116 S121 R122 | L58-F118 HydrophobicContact CB-CE1 4.43Å; L58-F118 HydrophobicContact CD2-CD1 4.44Å; L58-F118 HydrophobicContact CD2-CE1 3.93Å; R59-F118 VanDerWaalsContact O-CZ 3.27Å; R59-F118 WeakPolarHBondContact O-CZ 3.17Å; H60-F118 HydrophobicContact CB-CB 4.43Å; H60-F118 HydrophobicContact CB-CD1 3.96Å; H60-F118 HydrophobicContact CB-CD2 4.04Å; H60-F118 HydrophobicContact CB-CE1 4.16Å; H60-F118 HydrophobicContact CB-CE2 4.2Å; H60-F118 HydrophobicContact CB-CG 3.89Å; H60-F118 HydrophobicContact CB-CZ 4.27Å; H60-F118 AromaticContact CD2-CD2 3.49Å; H60-F118 VanDerWaalsContact CD2-CD2 3.49Å; H60-F118 WeakPolarHBondContact CD2-CD2 3.38Å; H60-F118 AromaticContact CD2-CG 3.71Å; H60-F118 AromaticContact CG-CG 3.93Å; I63-F118 HydrophobicContact CD1-CB 4.48Å; I63-F118 HydrophobicContact CD1-CD1 3.49Å; I63-F118 VanDerWaalsContact CD1-CD1 3.49Å; I63-F118 HydrophobicContact CD1-CE1 4.06Å; I63-F118 HydrophobicContact CD1-CG 4.3Å; Q114-F118 PolarHBondContact O-N 3.3Å; G115-F118 WeakPolarHBondContact O-CB 3.41Å; G115-F118 PolarHBondContact O-N 3.42Å; I116-F118 VanDerWaalsContact C-N 3.31Å; I116-F118 PolarHBondContact O-N 2.88Å; F118-S121 PolarHBondContact O-OG 2.85Å; F118-R122 VanDerWaalsContact CZ-NE 3.35Å; F118-R122 PolarHBondContact O-NH1 2.66Å |
| 119 | C | 91.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.8 | -48.9 | 175.8 | -62.8 | 0 | 0 | 0 | 0 | 112.7 | I63 G115 I116 V117 S121 R122 R123 V124 F147 | I63-C119 WeakPolarHBondContact CD1-SG 3.45Å; G115-C119 PolarHBondContact O-N 2.9Å; G115-C119 PolarHBondContact O-SG 2.83Å; I116-C119 HydrophobicContact CD1-CB 4.46Å; I116-C119 WeakPolarHBondContact O-CB 3.34Å; I116-C119 PolarHBondContact O-N 3.47Å; V117-C119 VanDerWaalsContact C-N 3.3Å; V117-C119 PolarHBondContact O-N 2.85Å; C119-S121 VanDerWaalsContact C-N 3.29Å; C119-S121 PolarHBondContact O-N 3.33Å; C119-R122 CarbonylContact O-C 3.54Å; C119-R122 WeakPolarHBondContact O-CA 3.33Å; C119-R122 PolarHBondContact O-N 3.23Å; C119-R123 PolarHBondContact O-N 2.74Å; C119-V124 CarbonylContact C-O 3.47Å; C119-V124 HydrophobicContact CB-CB 4.12Å; C119-V124 HydrophobicContact CB-CG1 4.34Å; C119-V124 PolarHBondContact O-N 3.42Å; C119-F147 HydrophobicContact CB-CE1 4.25Å; C119-F147 WeakPolarHBondContact SG-CE1 3.5Å; C119-F147 WeakPolarHBondContact SG-CZ 3.47Å |
| 120 | H | 91.3 | Very high | 92.3 | Very high | 31 Ų | 31 | 39.3 Ų | 39.3 | 14% | 0.144 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.3 | -38.3 | -178.5 | -70.8 | -179.5 | 0 | 0 | 0 | 111.7 | I116 V117 R122 R123 V124 T183 D186 | I116-H120 WeakPolarHBondContact CG1-NE2 3.35Å; I116-H120 WeakPolarHBondContact O-CB 3.46Å; I116-H120 PolarHBondContact O-CD2 2.95Å; I116-H120 VanDerWaalsContact O-CG 3.26Å; I116-H120 PolarHBondContact O-N 3.22Å; V117-H120 PolarHBondContact O-N 2.98Å; H120-R122 PolarHBondContact O-N 3.2Å; H120-R122 VanDerWaalsContact O-N 3.15Å; H120-R123 PolarHBondContact O-N 2.88Å; H120-V124 PolarHBondContact CD2-O 3.27Å; H120-T183 HydrophobicContact CB-CG2 3.88Å; H120-T183 VanDerWaalsContact CE1-CB 3.5Å; H120-T183 WeakPolarHBondContact CE1-CB 3.33Å; H120-T183 PolarHBondContact CE1-O 3.19Å; H120-T183 VanDerWaalsContact CE1-O 3.3Å; H120-T183 WeakPolarHBondContact ND1-CB 3.37Å; H120-D186 IonicContact CD2-OD2 3.76Å; H120-D186 IonicContact CE1-OD2 3.86Å; H120-D186 IonicContact NE2-OD2 2.85Å; H120-D186 PolarHBondContact NE2-OD2 2.78Å |
| 121 | S | 91.6 | Very high | 92.2 | Very high | 83 Ų | 83 | 38.1 Ų | 38.1 | 58% | 0.58 | 17% | 0.174 | S | C | * | . | H | α-helix | trans | -62.3 | -19.9 | 174.8 | 72.2 | 0 | 0 | 0 | 0 | 113.8 | V117 F118 C119 | V117-S121 WeakPolarHBondContact O-CB 3.19Å; V117-S121 PolarHBondContact O-N 3.33Å; V117-S121 PolarHBondContact O-OG 3.32Å; F118-S121 PolarHBondContact O-OG 2.85Å; C119-S121 VanDerWaalsContact C-N 3.29Å; C119-S121 PolarHBondContact O-N 3.33Å |
| 122 | R | 87.4 | Confident | 91.9 | Very high | 126 Ų | 126 | 41.1 Ų | 41.1 | 48% | 0.475 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.5 | 14.8 | 177.7 | -70.3 | 167.3 | 178.2 | 68.6 | 2.3 | 112.9 | F118 C119 H120 V124 | F118-R122 VanDerWaalsContact CZ-NE 3.35Å; F118-R122 PolarHBondContact O-NH1 2.66Å; C119-R122 CarbonylContact O-C 3.54Å; C119-R122 WeakPolarHBondContact O-CA 3.33Å; C119-R122 PolarHBondContact O-N 3.23Å; H120-R122 PolarHBondContact O-N 3.2Å; H120-R122 VanDerWaalsContact O-N 3.15Å; R122-V124 HydrophobicContact CB-CG2 4.44Å; R122-V124 PolarHBondContact O-N 3.27Å |
| 123 | R | 85.2 | Confident | 91.7 | Very high | 225 Ų | 225 | 41.6 Ų | 41.6 | 85% | 0.849 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.5 | 28.9 | -179.1 | -51.8 | 178 | 179.2 | -177.8 | -1.1 | 113.3 | C119 H120 | C119-R123 PolarHBondContact O-N 2.74Å; H120-R123 PolarHBondContact O-N 2.88Å |
| 124 | V | 84.1 | Confident | 91.6 | Very high | 36 Ų | 36 | 41.6 Ų | 41.6 | 22% | 0.218 | 19% | 0.19 | C | C | . | . | trans | -99.9 | 128.2 | 173.7 | 178 | 0 | 0 | 0 | 0 | 108.9 | L58 C119 H120 R122 F147 | L58-V124 HydrophobicContact CD1-CG1 4.25Å; L58-V124 HydrophobicContact CD2-CG2 4.25Å; C119-V124 CarbonylContact C-O 3.47Å; C119-V124 HydrophobicContact CB-CB 4.12Å; C119-V124 HydrophobicContact CB-CG1 4.34Å; C119-V124 PolarHBondContact O-N 3.42Å; H120-V124 PolarHBondContact CD2-O 3.27Å; R122-V124 HydrophobicContact CB-CG2 4.44Å; R122-V124 PolarHBondContact O-N 3.27Å; V124-F147 HydrophobicContact CG1-CD1 4.26Å | ||
| 125 | L | 84.8 | Confident | 91.5 | Very high | 26 Ų | 26 | 42.5 Ų | 42.5 | 14% | 0.136 | 20% | 0.195 | C | C | . | . | trans | -107.5 | 141 | 173 | -60 | 178.3 | 0 | 0 | 0 | 109 | R127 T183 | L125-R127 HydrophobicContact CB-CG 3.94Å; L125-T183 HydrophobicContact CD2-CG2 3.68Å | ||
| 126 | H | 88.3 | Confident | 91.4 | Very high | 6 Ų | 6 | 42.6 Ų | 42.6 | 3% | 0.028 | 20% | 0.196 | C | C | . | . | trans | -82.8 | -49.3 | 179.2 | -171 | -70.4 | 0 | 0 | 0 | 112.1 | I116 D128 L129 A145 F147 D186 | I116-H126 HydrophobicContact CD1-CB 4Å; H126-D128 VanDerWaalsContact CE1-C 3.42Å; H126-D128 PolarHBondContact CE1-O 3.47Å; H126-D128 VanDerWaalsContact CE1-O 3.23Å; H126-D128 PolarHBondContact ND1-N 2.82Å; H126-D128 PolarHBondContact O-N 2.81Å; H126-L129 HydrophobicContact CB-CD1 4.27Å; H126-L129 HydrophobicContact CB-CD2 4.14Å; H126-L129 HydrophobicContact CB-CG 3.82Å; H126-L129 PolarHBondContact ND1-N 2.81Å; H126-L129 VanDerWaalsContact ND1-N 3.2Å; H126-A145 PolarHBondContact NE2-O 3.4Å; H126-F147 HydrophobicContact CB-CE1 4.43Å; H126-F147 AromaticContact CD2-CD1 3.67Å; H126-F147 AromaticContact CD2-CE1 3.6Å; H126-D186 WeakPolarHBondContact CB-OD1 3.24Å; H126-D186 PolarHBondContact N-OD1 3.16Å; H126-D186 PolarHBondContact N-OD2 3.07Å | ||
| 127 | R | 85.6 | Confident | 91.2 | Very high | 104 Ų | 104 | 44.4 Ų | 44.4 | 39% | 0.392 | 21% | 0.205 | S | C | . | . | trans | 68.4 | -19.5 | 176 | -53 | 175.7 | 175.2 | -171.1 | -9.4 | 117.2 | L125 Y181 D186 | L125-R127 HydrophobicContact CB-CG 3.94Å; R127-Y181 HydrophobicContact CG-CE2 4.46Å; R127-Y181 PolarHBondContact NH1-OH 2.78Å; R127-D186 PolarHBondContact N-OD1 3.12Å | ||
| 128 | D | 85.9 | Confident | 90.6 | Very high | 38 Ų | 38 | 49.5 Ų | 49.5 | 20% | 0.203 | 23% | 0.232 | C | C | . | . | trans | -126.8 | 42.8 | 177.5 | -171.7 | 37.5 | 0 | 0 | 0 | 111.8 | H126 K130 N133 | H126-D128 VanDerWaalsContact CE1-C 3.42Å; H126-D128 PolarHBondContact CE1-O 3.47Å; H126-D128 VanDerWaalsContact CE1-O 3.23Å; H126-D128 PolarHBondContact ND1-N 2.82Å; H126-D128 PolarHBondContact O-N 2.81Å; D128-K130 PolarHBondContact O-N 3.11Å; D128-K130 IonicContact OD1-NZ 3.84Å; D128-K130 PolarHBondContact OD1-NZ 3.42Å; D128-K130 IonicContact OD2-NZ 3.04Å; D128-K130 PolarHBondContact OD2-NZ 3.28Å; D128-N133 PolarHBondContact O-ND2 3.23Å; D128-N133 PolarHBondContact OD2-ND2 3.04Å | ||
| 129 | L | 92.8 | Very high | 90.2 | Very high | 3 Ų | 3 | 56.4 Ų | 56.4 | 2% | 0.016 | 26% | 0.262 | C | S | . | . | trans | -70.2 | 124.5 | 176.4 | -76.5 | 174.3 | 0 | 0 | 0 | 109.7 | I116 H126 L144 Y169 D186 I190 I193 | I116-L129 HydrophobicContact CD1-CD1 4.01Å; I116-L129 HydrophobicContact CG1-CD1 4.44Å; H126-L129 HydrophobicContact CB-CD1 4.27Å; H126-L129 HydrophobicContact CB-CD2 4.14Å; H126-L129 HydrophobicContact CB-CG 3.82Å; H126-L129 PolarHBondContact ND1-N 2.81Å; H126-L129 VanDerWaalsContact ND1-N 3.2Å; L129-L144 HydrophobicContact CD2-CD2 3.94Å; L129-Y169 VanDerWaalsContact O-CB 3.28Å; L129-Y169 WeakPolarHBondContact O-CB 3.17Å; L129-D186 HydrophobicContact CD1-CB 3.87Å; L129-I190 HydrophobicContact CD1-CD1 3.9Å; L129-I190 HydrophobicContact CD1-CG1 3.7Å; L129-I193 HydrophobicContact CB-CD1 4.18Å | ||
| 130 | K | 93.6 | Very high | 90 | Very high | 35 Ų | 35 | 57.5 Ų | 57.5 | 15% | 0.152 | 27% | 0.273 | C | S | . | . | trans | -159.3 | 159.6 | 177.6 | 60 | -172.8 | 175 | -137.4 | 0 | 109.7 | D128 Q132 N133 L134 Y169 | D128-K130 PolarHBondContact O-N 3.11Å; D128-K130 IonicContact OD1-NZ 3.84Å; D128-K130 PolarHBondContact OD1-NZ 3.42Å; D128-K130 IonicContact OD2-NZ 3.04Å; D128-K130 PolarHBondContact OD2-NZ 3.28Å; K130-Q132 HydrophobicContact CG-CB 4.28Å; K130-Q132 VanDerWaalsContact CG-OE1 3.28Å; K130-Q132 PolarHBondContact O-N 3.02Å; K130-N133 WeakPolarHBondContact CE-ND2 3.45Å; K130-N133 HydrophobicContact CG-CB 4.2Å; K130-N133 PolarHBondContact O-N 3.08Å; K130-L134 PolarHBondContact O-N 3.07Å; K130-Y169 HydrophobicContact CB-CD2 3.43Å; K130-Y169 VanDerWaalsContact CB-CD2 3.43Å; K130-Y169 HydrophobicContact CB-CE2 3.41Å; K130-Y169 VanDerWaalsContact CB-CE2 3.41Å; K130-Y169 HydrophobicContact CB-CG 4.15Å | ||
| 131 | P | 96.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -54.4 | -28.6 | -179.7 | -28.6 | 37.5 | 0 | 0 | 0 | 114.8 | L87 K88 N133 L134 Y169 I193 | L87-P131 HydrophobicContact CB-CB 4.16Å; L87-P131 WeakPolarHBondContact CB-O 3.42Å; L87-P131 HydrophobicContact CD2-CB 4.17Å; L87-P131 HydrophobicContact CG-CB 4.18Å; L87-P131 PolarHBondContact N-O 3.28Å; K88-P131 HydrophobicContact CB-CB 3.91Å; K88-P131 PolarHBondContact N-O 2.72Å; P131-N133 VanDerWaalsContact C-N 3.29Å; P131-N133 PolarHBondContact O-N 2.68Å; P131-L134 PolarHBondContact O-N 3.37Å; P131-Y169 WeakPolarHBondContact CD-OH 3.23Å; P131-Y169 HydrophobicContact CG-CE1 4.12Å; P131-Y169 WeakPolarHBondContact CG-OH 3.48Å; P131-I193 HydrophobicContact CG-CG1 4.44Å |
| 132 | Q | 92.3 | Very high | 90.4 | Very high | 65 Ų | 65 | 53 Ų | 53 | 30% | 0.304 | 24% | 0.244 | S | C | . | . | G | 310 helix | trans | -69.8 | -24.8 | 175.8 | -59.7 | 83.6 | -6.4 | 0 | 0 | 113.4 | K88 K130 | K88-Q132 HydrophobicContact CB-CG 3.96Å; K88-Q132 HydrophobicContact CG-CG 4.29Å; K130-Q132 HydrophobicContact CG-CB 4.28Å; K130-Q132 VanDerWaalsContact CG-OE1 3.28Å; K130-Q132 PolarHBondContact O-N 3.02Å |
| 133 | N | 93 | Very high | 90.9 | Very high | 11 Ų | 11 | 48.3 Ų | 48.3 | 6% | 0.059 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -98.2 | 10.4 | 178.7 | -68.6 | -9.9 | 0 | 0 | 0 | 112 | D128 K130 P131 A145 | D128-N133 PolarHBondContact O-ND2 3.23Å; D128-N133 PolarHBondContact OD2-ND2 3.04Å; K130-N133 WeakPolarHBondContact CE-ND2 3.45Å; K130-N133 HydrophobicContact CG-CB 4.2Å; K130-N133 PolarHBondContact O-N 3.08Å; P131-N133 VanDerWaalsContact C-N 3.29Å; P131-N133 PolarHBondContact O-N 2.68Å; N133-A145 WeakPolarHBondContact O-CB 3.4Å; N133-A145 PolarHBondContact O-N 3.02Å |
| 134 | L | 96.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 110.5 | 174.4 | -65.3 | 177.8 | 0 | 0 | 0 | 107.9 | D86 L87 I112 K130 P131 I142 L144 I193 | D86-L134 CarbonylContact C-O 3.57Å; D86-L134 WeakPolarHBondContact CA-O 3.46Å; L87-L134 HydrophobicContact CB-CB 3.89Å; L87-L134 HydrophobicContact CD2-CB 4.28Å; L87-L134 HydrophobicContact CD2-CD1 3.62Å; L87-L134 PolarHBondContact N-O 2.91Å; I112-L134 HydrophobicContact CD1-CD1 3.7Å; I112-L134 HydrophobicContact CD1-CD2 4.39Å; I112-L134 HydrophobicContact CG1-CD1 4.34Å; I112-L134 HydrophobicContact CG1-CD2 4.12Å; K130-L134 PolarHBondContact O-N 3.07Å; P131-L134 PolarHBondContact O-N 3.37Å; L134-I142 HydrophobicContact CB-CD1 4.12Å; L134-I142 HydrophobicContact CB-CG1 4.29Å; L134-I142 HydrophobicContact CD1-CD1 4.47Å; L134-L144 HydrophobicContact CD2-CD2 3.24Å; L134-I193 HydrophobicContact CD1-CD1 4.05Å; L134-I193 HydrophobicContact CD1-CG2 3.88Å |
| 135 | L | 96.2 | Very high | 91.7 | Very high | 37 Ų | 37 | 36.2 Ų | 36.2 | 19% | 0.194 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 142 | -177.9 | -56.2 | -173.3 | 0 | 0 | 0 | 110.3 | V64 L83 M85 D86 I142 K143 A145 | V64-L135 HydrophobicContact CG2-CD1 4.01Å; V64-L135 HydrophobicContact CG2-CG 4.47Å; L83-L135 HydrophobicContact CB-CB 3.76Å; L83-L135 HydrophobicContact CB-CD1 4.22Å; L83-L135 HydrophobicContact CD1-CB 4.05Å; L83-L135 HydrophobicContact CD1-CD1 4.04Å; L83-L135 HydrophobicContact CD2-CB 3.95Å; L83-L135 HydrophobicContact CG-CB 4.13Å; M85-L135 WeakPolarHBondContact O-CA 3.33Å; D86-L135 HydrophobicContact CB-CD2 3.79Å; L135-I142 CarbonylContact O-C 3.55Å; L135-I142 WeakPolarHBondContact O-CA 3.48Å; L135-K143 PolarHBondContact N-O 2.68Å; L135-K143 PolarHBondContact O-N 2.62Å; L135-A145 HydrophobicContact CD1-CB 3.93Å; L135-A145 HydrophobicContact CG-CB 3.87Å |
| 136 | I | 95.8 | Very high | 91.5 | Very high | 2 Ų | 2 | 37.3 Ų | 37.3 | 1% | 0.01 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 149.8 | -179.8 | 59 | 175 | 0 | 0 | 0 | 111.2 | M85 Y90 Y108 T141 I142 | M85-I136 HydrophobicContact CB-CG1 4.02Å; M85-I136 HydrophobicContact CE-CD1 3.76Å; M85-I136 HydrophobicContact CE-CG1 4.27Å; M85-I136 HydrophobicContact CG-CD1 4.24Å; M85-I136 HydrophobicContact CG-CG1 4.17Å; M85-I136 PolarHBondContact O-N 2.99Å; Y90-I136 HydrophobicContact CD1-CD1 4.1Å; Y90-I136 HydrophobicContact CD2-CD1 3.98Å; Y90-I136 HydrophobicContact CG-CD1 3.61Å; Y108-I136 HydrophobicContact CE1-CG2 4.2Å; Y108-I136 HydrophobicContact CE2-CG2 4.17Å; I136-T141 VanDerWaalsContact CA-O 3.25Å; I136-T141 WeakPolarHBondContact CA-O 3.3Å; I136-I142 HydrophobicContact CG2-CB 3.79Å; I136-I142 HydrophobicContact CG2-CD1 3.68Å; I136-I142 HydrophobicContact CG2-CG1 3.58Å |
| 137 | D | 90.6 | Very high | 90.7 | Very high | 38 Ų | 38 | 37.7 Ų | 37.7 | 20% | 0.203 | 19% | 0.186 | C | C | . | . | trans | -103.5 | 178.6 | 170.9 | 70 | 15.5 | 0 | 0 | 0 | 111.6 | L83 K139 G140 T141 | L83-D137 HydrophobicContact CD2-CB 4.33Å; D137-K139 PolarHBondContact O-N 2.98Å; D137-K139 WeakPolarHBondContact OD1-CA 3.44Å; D137-K139 WeakPolarHBondContact OD1-CB 3Å; D137-K139 PolarHBondContact OD1-N 3Å; D137-G140 PolarHBondContact OD1-N 3.42Å; D137-G140 VanDerWaalsContact OD1-N 3.15Å; D137-T141 VanDerWaalsContact CG-CB 3.47Å; D137-T141 PolarHBondContact N-O 2.99Å; D137-T141 VanDerWaalsContact N-O 3.15Å; D137-T141 WeakPolarHBondContact OD1-CB 3.35Å; D137-T141 PolarHBondContact OD1-N 3.4Å; D137-T141 PolarHBondContact OD1-OG1 2.87Å; D137-T141 WeakPolarHBondContact OD2-CB 3.39Å; D137-T141 PolarHBondContact OD2-OG1 3.28Å | ||
| 138 | D | 85.4 | Confident | 89.4 | Confident | 143 Ų | 143 | 33.7 Ų | 33.7 | 77% | 0.765 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | 1.4 | 177.4 | 57.5 | -7.3 | 0 | 0 | 0 | 113.7 | ||
| 139 | K | 85.8 | Confident | 88 | Confident | 176 Ų | 176 | 32 Ų | 32 | 77% | 0.765 | 17% | 0.169 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -109.4 | 5.9 | -176.7 | -60.9 | 173.3 | -170.1 | 175.5 | 0 | 112.8 | D137 | D137-K139 PolarHBondContact O-N 2.98Å; D137-K139 WeakPolarHBondContact OD1-CA 3.44Å; D137-K139 WeakPolarHBondContact OD1-CB 3Å; D137-K139 PolarHBondContact OD1-N 3Å |
| 140 | G | 88.3 | Confident | 86 | Confident | 23 Ų | 23 | 33.2 Ų | 33.2 | 24% | 0.237 | 18% | 0.179 | C | C | . | . | S | Bend | trans | 80.7 | 18.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y108 Q111 D137 | Y108-G140 WeakPolarHBondContact CE1-O 3.2Å; Q111-G140 PolarHBondContact NE2-O 3.15Å; D137-G140 PolarHBondContact OD1-N 3.42Å; D137-G140 VanDerWaalsContact OD1-N 3.15Å |
| 141 | T | 94.3 | Very high | 84.1 | Confident | 18 Ų | 18 | 38.6 Ų | 38.6 | 11% | 0.11 | 20% | 0.198 | C | C | . | . | trans | -85.9 | 138.8 | 170.3 | -43.9 | 0 | 0 | 0 | 0 | 109.9 | I136 D137 K143 M297 | I136-T141 VanDerWaalsContact CA-O 3.25Å; I136-T141 WeakPolarHBondContact CA-O 3.3Å; D137-T141 VanDerWaalsContact CG-CB 3.47Å; D137-T141 PolarHBondContact N-O 2.99Å; D137-T141 VanDerWaalsContact N-O 3.15Å; D137-T141 WeakPolarHBondContact OD1-CB 3.35Å; D137-T141 PolarHBondContact OD1-N 3.4Å; D137-T141 PolarHBondContact OD1-OG1 2.87Å; D137-T141 WeakPolarHBondContact OD2-CB 3.39Å; D137-T141 PolarHBondContact OD2-OG1 3.28Å; T141-K143 HydrophobicContact CG2-CG 4.16Å; T141-M297 HydrophobicContact CG2-CE 4.47Å | ||
| 142 | I | 97.3 | Very high | 82.1 | Confident | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 139.3 | 167.6 | -168.4 | 158.2 | 0 | 0 | 0 | 110.6 | N62 L87 Y108 Q111 I112 L134 L135 I136 | N62-I142 WeakPolarHBondContact CB-O 3.22Å; N62-I142 PolarHBondContact ND2-O 3.47Å; L87-I142 HydrophobicContact CD1-CD1 4.46Å; L87-I142 HydrophobicContact CD2-CD1 4.29Å; Y108-I142 HydrophobicContact CD1-CB 3.76Å; Y108-I142 HydrophobicContact CD1-CD1 4.26Å; Y108-I142 HydrophobicContact CD1-CG2 3.78Å; Y108-I142 HydrophobicContact CD2-CD1 4.12Å; Y108-I142 HydrophobicContact CE1-CB 4.09Å; Y108-I142 HydrophobicContact CG-CB 4.26Å; Y108-I142 HydrophobicContact CG-CD1 3.91Å; Y108-I142 HydrophobicContact CG-CG2 4.21Å; Q111-I142 HydrophobicContact CB-CG2 3.36Å; Q111-I142 HydrophobicContact CG-CG2 4.3Å; I112-I142 HydrophobicContact CD1-CD1 3.92Å; I112-I142 HydrophobicContact CG1-CD1 4.16Å; I112-I142 HydrophobicContact CG1-CG1 4.36Å; I112-I142 HydrophobicContact CG1-CG2 4.09Å; L134-I142 HydrophobicContact CB-CD1 4.12Å; L134-I142 HydrophobicContact CB-CG1 4.29Å; L134-I142 HydrophobicContact CD1-CD1 4.47Å; L135-I142 CarbonylContact O-C 3.55Å; L135-I142 WeakPolarHBondContact O-CA 3.48Å; I136-I142 HydrophobicContact CG2-CB 3.79Å; I136-I142 HydrophobicContact CG2-CD1 3.68Å; I136-I142 HydrophobicContact CG2-CG1 3.58Å |
| 143 | K | 97.1 | Very high | 80 | Confident | 28 Ų | 28 | 36.6 Ų | 36.6 | 12% | 0.122 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 136.9 | -177.2 | -55.3 | -161.5 | 180 | -157.8 | 0 | 111.9 | P61 N62 V64 E81 L83 L135 T141 | P61-K143 WeakPolarHBondContact O-CD 3.37Å; P61-K143 WeakPolarHBondContact O-CE 3.39Å; P61-K143 WeakPolarHBondContact O-CG 3.44Å; P61-K143 PolarHBondContact O-NZ 3.21Å; N62-K143 WeakPolarHBondContact O-CA 3Å; V64-K143 HydrophobicContact CG2-CB 3.72Å; V64-K143 HydrophobicContact CG2-CD 4.49Å; E81-K143 IonicContact OE1-NZ 2.88Å; E81-K143 PolarHBondContact OE1-NZ 2.96Å; E81-K143 IonicContact OE2-NZ 2.76Å; E81-K143 PolarHBondContact OE2-NZ 3.14Å; L83-K143 HydrophobicContact CD1-CD 4.3Å; L83-K143 HydrophobicContact CD2-CB 4.44Å; L83-K143 HydrophobicContact CD2-CD 4.18Å; L83-K143 HydrophobicContact CD2-CG 4.1Å; L135-K143 PolarHBondContact N-O 2.68Å; L135-K143 PolarHBondContact O-N 2.62Å; T141-K143 HydrophobicContact CG2-CG 4.16Å |
| 144 | L | 95.4 | Very high | 77.7 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 130 | 170.6 | -54.7 | -175.1 | 0 | 0 | 0 | 109.6 | N62 V64 I112 I116 L129 L134 F147 | N62-L144 WeakPolarHBondContact O-CG 3.35Å; N62-L144 PolarHBondContact O-N 3.33Å; V64-L144 WeakPolarHBondContact CG2-O 3.18Å; V64-L144 PolarHBondContact N-O 3.44Å; I112-L144 HydrophobicContact CG1-CD2 4.44Å; I112-L144 HydrophobicContact CG2-CD2 4.21Å; I116-L144 HydrophobicContact CB-CD1 4.22Å; I116-L144 HydrophobicContact CD1-CD1 4.21Å; L129-L144 HydrophobicContact CD2-CD2 3.94Å; L134-L144 HydrophobicContact CD2-CD2 3.24Å; L144-F147 HydrophobicContact CB-CE1 4.49Å; L144-F147 HydrophobicContact CB-CE2 3.47Å; L144-F147 VanDerWaalsContact CB-CE2 3.47Å; L144-F147 HydrophobicContact CB-CZ 3.37Å; L144-F147 HydrophobicContact CD1-CE1 4.39Å; L144-F147 HydrophobicContact CD1-CZ 3.71Å; L144-F147 HydrophobicContact CG-CZ 4.17Å; L144-F147 WeakPolarHBondContact O-CE2 3.48Å |
| 145 | A | 91.2 | Very high | 75 | Confident | 6 Ų | 6 | 40.6 Ų | 40.6 | 5% | 0.05 | 23% | 0.226 | C | C | . | . | trans | -123.1 | 168.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | V64 H126 N133 L135 F147 | V64-A145 HydrophobicContact CB-CB 4.33Å; V64-A145 HydrophobicContact CG2-CB 3.72Å; H126-A145 PolarHBondContact NE2-O 3.4Å; N133-A145 WeakPolarHBondContact O-CB 3.4Å; N133-A145 PolarHBondContact O-N 3.02Å; L135-A145 HydrophobicContact CD1-CB 3.93Å; L135-A145 HydrophobicContact CG-CB 3.87Å; A145-F147 VanDerWaalsContact C-N 3.33Å; A145-F147 PolarHBondContact O-N 2.95Å | ||
| 146 | D | 80.1 | Confident | 72.2 | Confident | 50 Ų | 50 | 42.3 Ų | 42.3 | 27% | 0.267 | 24% | 0.239 | S | C | . | . | S | Bend | trans | 61.5 | 33.4 | 172.3 | -79 | 4.1 | 0 | 0 | 0 | 115.9 | K33 G148 | K33-D146 IonicContact NZ-OD1 2.64Å; K33-D146 PolarHBondContact NZ-OD1 2.99Å; K33-D146 IonicContact NZ-OD2 3.36Å; K33-D146 PolarHBondContact NZ-OD2 3.44Å; D146-G148 PolarHBondContact O-N 3.3Å |
| 147 | F | 71.3 | Confident | 69.6 | Low | 13 Ų | 13 | 47 Ų | 47 | 6% | 0.057 | 26% | 0.263 | C | S | . | . | trans | -55 | 125.7 | 171.5 | -75.3 | -84.2 | 0 | 0 | 0 | 113.2 | L55 L58 I63 C119 V124 H126 L144 A145 L149 | L55-F147 HydrophobicContact CD2-CB 4Å; L58-F147 HydrophobicContact CD1-CD1 4.47Å; L58-F147 HydrophobicContact CD1-CG 4.42Å; I63-F147 HydrophobicContact CB-CE2 4.24Å; I63-F147 HydrophobicContact CD1-CZ 4.12Å; I63-F147 HydrophobicContact CG1-CE2 4.06Å; I63-F147 HydrophobicContact CG1-CZ 3.92Å; I63-F147 HydrophobicContact CG2-CD2 4.16Å; I63-F147 HydrophobicContact CG2-CE2 3.56Å; I63-F147 HydrophobicContact CG2-CZ 4.22Å; C119-F147 HydrophobicContact CB-CE1 4.25Å; C119-F147 WeakPolarHBondContact SG-CE1 3.5Å; C119-F147 WeakPolarHBondContact SG-CZ 3.47Å; V124-F147 HydrophobicContact CG1-CD1 4.26Å; H126-F147 HydrophobicContact CB-CE1 4.43Å; H126-F147 AromaticContact CD2-CD1 3.67Å; H126-F147 AromaticContact CD2-CE1 3.6Å; L144-F147 HydrophobicContact CB-CE1 4.49Å; L144-F147 HydrophobicContact CB-CE2 3.47Å; L144-F147 VanDerWaalsContact CB-CE2 3.47Å; L144-F147 HydrophobicContact CB-CZ 3.37Å; L144-F147 HydrophobicContact CD1-CE1 4.39Å; L144-F147 HydrophobicContact CD1-CZ 3.71Å; L144-F147 HydrophobicContact CG-CZ 4.17Å; L144-F147 WeakPolarHBondContact O-CE2 3.48Å; A145-F147 VanDerWaalsContact C-N 3.33Å; A145-F147 PolarHBondContact O-N 2.95Å; F147-L149 PolarHBondContact O-N 3.47Å | ||
| 148 | G | 58.7 | Low | 67 | Low | 21 Ų | 21 | 52.8 Ų | 52.8 | 22% | 0.216 | 28% | 0.282 | C | S | . | . | S | Bend | trans | 62.4 | 8.1 | 148 | 0 | 0 | 0 | 0 | 0 | 117.3 | D146 A150 R151 A152 | D146-G148 PolarHBondContact O-N 3.3Å; G148-A150 PolarHBondContact O-N 2.92Å; G148-R151 PolarHBondContact O-N 2.87Å; G148-A152 PolarHBondContact O-N 3.48Å |
| 149 | L | 56.6 | Low | 64.6 | Low | 3 Ų | 3 | 52.3 Ų | 52.3 | 2% | 0.016 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59.3 | -37.1 | -179.5 | -60.7 | 170.8 | 0 | 0 | 0 | 110.4 | Y15 K33 L55 L78 F147 R151 A152 F153 | Y15-L149 HydrophobicContact CG-CB 4.45Å; K33-L149 HydrophobicContact CD-CD1 4.09Å; L55-L149 HydrophobicContact CD1-CD2 4.38Å; L78-L149 HydrophobicContact CD1-CD2 3.6Å; F147-L149 PolarHBondContact O-N 3.47Å; L149-R151 VanDerWaalsContact C-N 3.28Å; L149-R151 PolarHBondContact O-N 3.1Å; L149-A152 PolarHBondContact O-N 2.99Å; L149-F153 HydrophobicContact CB-CD2 4.22Å; L149-F153 HydrophobicContact CB-CE2 4.25Å; L149-F153 HydrophobicContact CD2-CE2 3.79Å; L149-F153 WeakPolarHBondContact O-CD2 3.47Å; L149-F153 PolarHBondContact O-N 2.86Å; L149-F153 VanDerWaalsContact O-N 3.14Å |
| 150 | A | 50.8 | Low | 62.3 | Low | 27 Ų | 27 | 49 Ų | 49 | 22% | 0.223 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.8 | -32.6 | 176 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y15 G148 | Y15-A150 HydrophobicContact CE1-CB 4.1Å; G148-A150 PolarHBondContact O-N 2.92Å |
| 151 | R | 54.1 | Low | 59.7 | Low | 148 Ų | 148 | 52 Ų | 52 | 56% | 0.558 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -83.9 | -43.5 | 177.9 | -177.8 | 178.2 | 157.8 | -175.4 | -5.4 | 111.3 | G148 L149 F153 G154 | G148-R151 PolarHBondContact O-N 2.87Å; L149-R151 VanDerWaalsContact C-N 3.28Å; L149-R151 PolarHBondContact O-N 3.1Å; R151-F153 VanDerWaalsContact C-N 3.35Å; R151-F153 PolarHBondContact O-N 3.5Å; R151-G154 PolarHBondContact O-N 2.84Å |
| 152 | A | 52.5 | Low | 57 | Low | 5 Ų | 5 | 59.3 Ų | 59.3 | 4% | 0.041 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -59.8 | -40.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | A48 E51 I52 G148 L149 G154 | A48-A152 WeakPolarHBondContact CA-O 3.35Å; A48-A152 VanDerWaalsContact CB-O 3.31Å; A48-A152 WeakPolarHBondContact CB-O 3.45Å; E51-A152 HydrophobicContact CB-CB 3.58Å; E51-A152 WeakPolarHBondContact OE2-CA 3.49Å; E51-A152 PolarHBondContact OE2-N 3.04Å; I52-A152 HydrophobicContact CG1-CB 4.34Å; G148-A152 PolarHBondContact O-N 3.48Å; L149-A152 PolarHBondContact O-N 2.99Å; A152-G154 VanDerWaalsContact C-N 3.32Å; A152-G154 PolarHBondContact O-N 3.11Å |
| 153 | F | 50.1 | Low | 53.9 | Low | 18 Ų | 18 | 68.5 Ų | 68.5 | 8% | 0.079 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -1.8 | -176.4 | -70.9 | -75.9 | 0 | 0 | 0 | 114 | I35 V44 A48 I52 L76 L149 R151 I155 | I35-F153 HydrophobicContact CB-CZ 4.26Å; I35-F153 HydrophobicContact CD1-CE2 4.12Å; I35-F153 HydrophobicContact CD1-CZ 4.19Å; I35-F153 HydrophobicContact CG1-CE2 4.24Å; I35-F153 HydrophobicContact CG1-CZ 3.81Å; I35-F153 HydrophobicContact CG2-CD1 4.42Å; I35-F153 HydrophobicContact CG2-CD2 4.44Å; I35-F153 HydrophobicContact CG2-CE1 3.94Å; I35-F153 HydrophobicContact CG2-CE2 3.99Å; I35-F153 HydrophobicContact CG2-CZ 3.71Å; V44-F153 HydrophobicContact CG1-CE1 4.25Å; A48-F153 HydrophobicContact CB-CD1 3.56Å; A48-F153 HydrophobicContact CB-CE1 3.96Å; A48-F153 HydrophobicContact CB-CG 4.32Å; I52-F153 HydrophobicContact CD1-CE1 3.52Å; I52-F153 HydrophobicContact CD1-CE2 3.89Å; I52-F153 HydrophobicContact CD1-CZ 3.12Å; I52-F153 HydrophobicContact CG1-CE2 4.27Å; I52-F153 HydrophobicContact CG1-CZ 3.96Å; L76-F153 HydrophobicContact CD2-CE1 3.5Å; L76-F153 HydrophobicContact CD2-CZ 3.55Å; L149-F153 HydrophobicContact CB-CD2 4.22Å; L149-F153 HydrophobicContact CB-CE2 4.25Å; L149-F153 HydrophobicContact CD2-CE2 3.79Å; L149-F153 WeakPolarHBondContact O-CD2 3.47Å; L149-F153 PolarHBondContact O-N 2.86Å; L149-F153 VanDerWaalsContact O-N 3.14Å; R151-F153 VanDerWaalsContact C-N 3.35Å; R151-F153 PolarHBondContact O-N 3.5Å; F153-I155 HydrophobicContact CB-CB 4.27Å; F153-I155 HydrophobicContact CB-CD1 3.4Å; F153-I155 VanDerWaalsContact CB-CD1 3.4Å; F153-I155 HydrophobicContact CB-CG1 3.53Å; F153-I155 HydrophobicContact CD2-CD1 4.44Å; F153-I155 HydrophobicContact CG-CD1 4.01Å; F153-I155 PolarHBondContact O-N 3.36Å |
| 154 | G | 44.7 | Very low | 51.6 | Low | 63 Ų | 63 | 71.1 Ų | 71.1 | 65% | 0.649 | 38% | 0.384 | S | S | * | . | trans | 55.2 | 8.8 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | R151 A152 P156 | R151-G154 PolarHBondContact O-N 2.84Å; A152-G154 VanDerWaalsContact C-N 3.32Å; A152-G154 PolarHBondContact O-N 3.11Å; G154-P156 WeakPolarHBondContact O-CD 3.25Å; G154-P156 VanDerWaalsContact O-N 3.12Å | ||
| 155 | I | 39.8 | Very low | 50.1 | Low | 33 Ų | 33 | 74.8 Ų | 74.8 | 17% | 0.169 | 40% | 0.403 | C | S | . | . | trans | -57.5 | 119.9 | 175.8 | -71.7 | 166.3 | 0 | 0 | 0 | 103.5 | E38 F153 I157 | E38-I155 HydrophobicContact CG-CG1 4.49Å; F153-I155 HydrophobicContact CB-CB 4.27Å; F153-I155 HydrophobicContact CB-CD1 3.4Å; F153-I155 VanDerWaalsContact CB-CD1 3.4Å; F153-I155 HydrophobicContact CB-CG1 3.53Å; F153-I155 HydrophobicContact CD2-CD1 4.44Å; F153-I155 HydrophobicContact CG-CD1 4.01Å; F153-I155 PolarHBondContact O-N 3.36Å; I155-I157 PolarHBondContact O-N 3.04Å | ||
| 156 | P | 36.1 | Very low | 49.4 | Very low | 73 Ų | 73 | 76.7 Ų | 76.7 | 47% | 0.474 | 41% | 0.414 | S | S | . | . | trans | -44.3 | 127 | 173.2 | -23.4 | 30.5 | 0 | 0 | 0 | 106 | G154 R158 | G154-P156 WeakPolarHBondContact O-CD 3.25Å; G154-P156 VanDerWaalsContact O-N 3.12Å; P156-R158 WeakPolarHBondContact O-CA 3.36Å; P156-R158 PolarHBondContact O-N 3.28Å | ||
| 157 | I | 41.6 | Very low | 49.8 | Very low | 100 Ų | 100 | 75.2 Ų | 75.2 | 51% | 0.513 | 41% | 0.405 | S | S | . | . | trans | -53.9 | 96.8 | 157.6 | -61.9 | 169.2 | 0 | 0 | 0 | 101.4 | I155 V159 | I155-I157 PolarHBondContact O-N 3.04Å; I157-V159 PolarHBondContact O-N 2.88Å | ||
| 158 | R | 36.7 | Very low | 51 | Low | 160 Ų | 160 | 77.1 Ų | 77.1 | 60% | 0.604 | 41% | 0.413 | S | S | * | . | trans | -48.7 | 138.1 | -161.7 | -87.8 | -176.8 | 172.6 | -167.8 | -4.5 | 106.6 | P156 Y160 | P156-R158 WeakPolarHBondContact O-CA 3.36Å; P156-R158 PolarHBondContact O-N 3.28Å; R158-Y160 WeakPolarHBondContact O-CA 3.44Å; R158-Y160 PolarHBondContact O-N 3.26Å | ||
| 159 | V | 33.8 | Very low | 52.8 | Low | 133 Ų | 133 | 76.6 Ų | 76.6 | 81% | 0.806 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -39 | 112.8 | 168.7 | -165.8 | 0 | 0 | 0 | 0 | 106.2 | I157 T161 | I157-V159 PolarHBondContact O-N 2.88Å; V159-T161 PolarHBondContact O-N 2.93Å |
| 160 | Y | 38.6 | Very low | 54.6 | Low | 106 Ų | 106 | 78.3 Ų | 78.3 | 42% | 0.416 | 41% | 0.41 | S | S | . | . | trans | -45.2 | 95 | -162.5 | -69.5 | -90.3 | 0 | 0 | 0 | 111.1 | R158 H162 | R158-Y160 WeakPolarHBondContact O-CA 3.44Å; R158-Y160 PolarHBondContact O-N 3.26Å; Y160-H162 PolarHBondContact O-N 3.33Å | ||
| 161 | T | 33.4 | Very low | 56.8 | Low | 87 Ų | 87 | 77 Ų | 77 | 53% | 0.534 | 40% | 0.4 | S | S | . | . | trans | -77.9 | 111.3 | 174.3 | 49.5 | 0 | 0 | 0 | 0 | 106.9 | V159 E163 | V159-T161 PolarHBondContact O-N 2.93Å; T161-E163 PolarHBondContact O-N 3.38Å | ||
| 162 | H | 36.3 | Very low | 58.8 | Low | 170 Ų | 170 | 70 Ų | 70 | 79% | 0.787 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -2.2 | -166.8 | -77.7 | -78.5 | 0 | 0 | 0 | 117.4 | Y160 | Y160-H162 PolarHBondContact O-N 3.33Š|
| 163 | E | 33.3 | Very low | 60.9 | Low | 194 Ų | 194 | 70 Ų | 70 | 91% | 0.907 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.9 | -5.6 | -165.4 | -70.2 | -176 | 153.8 | 0 | 0 | 116.4 | T161 | T161-E163 PolarHBondContact O-N 3.38Š|
| 164 | A | 47.8 | Very low | 62.9 | Low | 84 Ų | 84 | 70.9 Ų | 70.9 | 69% | 0.694 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -148 | 24.2 | -171.7 | 0 | 0 | 0 | 0 | 0 | 117 | ||
| 165 | I | 63.9 | Low | 65.2 | Low | 77 Ų | 77 | 68 Ų | 68 | 40% | 0.395 | 35% | 0.349 | S | S | . | . | trans | -117.4 | 122.3 | 177.6 | -55.8 | 176.4 | 0 | 0 | 0 | 110 | L167 | I165-L167 PolarHBondContact O-N 3.07Š| ||
| 166 | T | 76.4 | Confident | 67.9 | Low | 46 Ų | 46 | 66.5 Ų | 66.5 | 28% | 0.282 | 34% | 0.341 | S | S | . | . | trans | -67.6 | 113.5 | 175.3 | -47.7 | 0 | 0 | 0 | 0 | 110.5 | W168 Y169 | T166-W168 HydrophobicContact CG2-CB 4.11Å; T166-W168 HydrophobicContact CG2-CD2 3.59Å; T166-W168 HydrophobicContact CG2-CE3 3.68Å; T166-W168 HydrophobicContact CG2-CG 3.81Å; T166-W168 HydrophobicContact CG2-CZ3 4.31Å; T166-Y169 HydrophobicContact CG2-CD2 4.1Å; T166-Y169 HydrophobicContact CG2-CE2 3.64Å | ||
| 167 | L | 90 | Very high | 70.4 | Confident | 18 Ų | 18 | 64 Ų | 64 | 9% | 0.094 | 33% | 0.329 | C | S | . | . | trans | -85.4 | -13.6 | -179.4 | -61.4 | 176.3 | 0 | 0 | 0 | 113.6 | I165 Y169 R170 E209 Q212 | I165-L167 PolarHBondContact O-N 3.07Å; L167-Y169 PolarHBondContact O-N 2.88Å; L167-R170 VanDerWaalsContact CD2-CZ 3.44Å; L167-R170 VanDerWaalsContact O-CB 3.3Å; L167-R170 WeakPolarHBondContact O-CB 3.38Å; L167-R170 PolarHBondContact O-N 3.35Å; L167-E209 HydrophobicContact CD1-CG 4.11Å; L167-E209 HydrophobicContact CD2-CG 4.22Å; L167-Q212 HydrophobicContact CB-CB 4.36Å; L167-Q212 HydrophobicContact CB-CG 4.15Å | ||
| 168 | W | 95.9 | Very high | 72.6 | Confident | 54 Ų | 54 | 60.7 Ų | 60.7 | 21% | 0.205 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -23.3 | -161.7 | -52.7 | -20.6 | 0 | 0 | 0 | 115.2 | T166 P202 F204 H205 G206 Q212 | T166-W168 HydrophobicContact CG2-CB 4.11Å; T166-W168 HydrophobicContact CG2-CD2 3.59Å; T166-W168 HydrophobicContact CG2-CE3 3.68Å; T166-W168 HydrophobicContact CG2-CG 3.81Å; T166-W168 HydrophobicContact CG2-CZ3 4.31Å; W168-P202 HydrophobicContact CB-CB 4.43Å; W168-P202 HydrophobicContact CD2-CB 4.07Å; W168-P202 HydrophobicContact CD2-CG 4.2Å; W168-P202 HydrophobicContact CE3-CB 3.65Å; W168-P202 HydrophobicContact CE3-CG 3.39Å; W168-P202 HydrophobicContact CG-CB 4.41Å; W168-P202 HydrophobicContact CH2-CG 4.36Å; W168-P202 HydrophobicContact CZ3-CB 4.25Å; W168-P202 HydrophobicContact CZ3-CG 3.49Å; W168-P202 VanDerWaalsContact CZ3-CG 3.49Å; W168-F204 VanDerWaalsContact CA-O 3.31Å; W168-F204 WeakPolarHBondContact CA-O 3.4Å; W168-F204 VanDerWaalsContact CB-O 3.25Å; W168-F204 WeakPolarHBondContact CB-O 3.32Å; W168-H205 AromaticContact CE2-CD2 3.48Å; W168-H205 VanDerWaalsContact CE2-CD2 3.48Å; W168-H205 AromaticContact CE2-CG 3.99Å; W168-H205 AromaticContact CE2-NE2 3.74Å; W168-H205 AromaticContact CH2-CE1 3.73Å; W168-H205 AromaticContact CH2-NE2 3.67Å; W168-H205 AromaticContact CZ2-CD2 3.38Å; W168-H205 WeakPolarHBondContact CZ2-CD2 3.44Å; W168-H205 AromaticContact CZ2-CE1 3.62Å; W168-H205 AromaticContact CZ2-NE2 3.09Å; W168-H205 WeakPolarHBondContact CZ2-NE2 3.25Å; W168-H205 AromaticContact NE1-CD2 3.53Å; W168-G206 PolarHBondContact NE1-O 3.47Å; W168-Q212 PolarHBondContact O-NE2 3.28Å |
| 169 | Y | 96.1 | Very high | 74.4 | Confident | 9 Ų | 9 | 57.8 Ų | 57.8 | 4% | 0.035 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.6 | 1.9 | -177.7 | -43.1 | -79.2 | 0 | 0 | 0 | 113 | L129 K130 P131 T166 L167 S189 T192 I193 E196 | L129-Y169 VanDerWaalsContact O-CB 3.28Å; L129-Y169 WeakPolarHBondContact O-CB 3.17Å; K130-Y169 HydrophobicContact CB-CD2 3.43Å; K130-Y169 VanDerWaalsContact CB-CD2 3.43Å; K130-Y169 HydrophobicContact CB-CE2 3.41Å; K130-Y169 VanDerWaalsContact CB-CE2 3.41Å; K130-Y169 HydrophobicContact CB-CG 4.15Å; P131-Y169 WeakPolarHBondContact CD-OH 3.23Å; P131-Y169 HydrophobicContact CG-CE1 4.12Å; P131-Y169 WeakPolarHBondContact CG-OH 3.48Å; T166-Y169 HydrophobicContact CG2-CD2 4.1Å; T166-Y169 HydrophobicContact CG2-CE2 3.64Å; L167-Y169 PolarHBondContact O-N 2.88Å; Y169-S189 WeakPolarHBondContact O-CA 3.38Å; Y169-S189 WeakPolarHBondContact O-CB 3.26Å; Y169-S189 PolarHBondContact O-OG 3.42Å; Y169-T192 WeakPolarHBondContact CD1-OG1 3.47Å; Y169-I193 HydrophobicContact CD1-CD1 4.46Å; Y169-I193 HydrophobicContact CD1-CG1 3.75Å; Y169-I193 HydrophobicContact CE1-CG1 3.92Å; Y169-E196 WeakPolarHBondContact CE1-OE2 3.44Å; Y169-E196 PolarHBondContact OH-OE2 3.21Å |
| 170 | R | 94.5 | Very high | 76.5 | Confident | 39 Ų | 39 | 62.2 Ų | 62.2 | 15% | 0.147 | 33% | 0.327 | C | S | . | . | trans | -76 | 136.8 | -177.3 | -166.8 | 178.9 | -71.4 | 175.1 | 4.2 | 110.3 | L167 V174 L175 W188 E209 | L167-R170 VanDerWaalsContact CD2-CZ 3.44Å; L167-R170 VanDerWaalsContact O-CB 3.3Å; L167-R170 WeakPolarHBondContact O-CB 3.38Å; L167-R170 PolarHBondContact O-N 3.35Å; R170-V174 HydrophobicContact CG-CB 3.9Å; R170-V174 HydrophobicContact CG-CG1 3.87Å; R170-L175 HydrophobicContact CB-CD2 4.49Å; R170-L175 HydrophobicContact CB-CG 4.33Å; R170-L175 HydrophobicContact CG-CD2 4.3Å; R170-L175 HydrophobicContact CG-CG 4.04Å; R170-W188 PolarHBondContact O-NE1 3.4Å; R170-W188 VanDerWaalsContact O-NE1 3.13Å; R170-E209 IonicContact CZ-OE1 2.73Å; R170-E209 IonicContact NH1-OE1 3.94Å; R170-E209 PolarHBondContact NH1-OE1 3.44Å | ||
| 171 | S | 96.4 | Very high | 78.4 | Confident | 1 Ų | 1 | 61.1 Ų | 61.1 | 1% | 0.007 | 32% | 0.323 | C | S | . | . | trans | -76.3 | 153.2 | -179 | 72.1 | 0 | 0 | 0 | 0 | 112.4 | E173 V174 L175 V185 W188 | S171-E173 VanDerWaalsContact C-N 3.27Å; S171-E173 VanDerWaalsContact CB-CD 3.5Å; S171-E173 WeakPolarHBondContact CB-OE1 3.15Å; S171-E173 WeakPolarHBondContact CB-OE2 3.41Å; S171-E173 PolarHBondContact O-N 2.81Å; S171-E173 PolarHBondContact OG-OE1 3.41Å; S171-E173 PolarHBondContact OG-OE2 3.45Å; S171-V174 PolarHBondContact O-N 2.9Å; S171-V174 VanDerWaalsContact O-N 3.16Å; S171-V174 WeakPolarHBondContact OG-CG2 3.27Å; S171-L175 PolarHBondContact O-N 2.71Å; S171-L175 VanDerWaalsContact O-N 3.12Å; S171-V185 WeakPolarHBondContact OG-CG1 3.25Å; S171-W188 VanDerWaalsContact CA-CD1 3.42Å | ||
| 172 | P | 97.6 | Very high | 81 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -64.1 | -31.2 | -176.1 | 26.6 | -35.8 | 0 | 0 | 0 | 112.3 | V174 L175 L176 W188 W228 Y270 | P172-V174 VanDerWaalsContact C-N 3.31Å; P172-V174 PolarHBondContact O-N 3.2Å; P172-L175 PolarHBondContact O-N 3.46Å; P172-L176 VanDerWaalsContact O-CB 3.32Å; P172-L176 WeakPolarHBondContact O-CB 3.37Å; P172-L176 VanDerWaalsContact O-CG 3.29Å; P172-L176 WeakPolarHBondContact O-CG 3.34Å; P172-L176 PolarHBondContact O-N 2.92Å; P172-W188 HydrophobicContact CG-CE3 4.2Å; P172-W188 HydrophobicContact CG-CH2 3.87Å; P172-W188 HydrophobicContact CG-CZ2 4.26Å; P172-W188 HydrophobicContact CG-CZ3 3.83Å; P172-W228 HydrophobicContact CB-CH2 4.36Å; P172-W228 HydrophobicContact CB-CZ3 3.99Å; P172-W228 HydrophobicContact CG-CH2 4.43Å; P172-W228 HydrophobicContact CG-CZ3 4.12Å; P172-Y270 HydrophobicContact CB-CD1 4.21Å; P172-Y270 HydrophobicContact CB-CE1 4.26Å; P172-Y270 HydrophobicContact CG-CD1 3.89Å; P172-Y270 HydrophobicContact CG-CE1 4.26Å |
| 173 | E | 95.2 | Very high | 83.7 | Confident | 6 Ų | 6 | 54.4 Ų | 54.4 | 3% | 0.028 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -66 | -31.7 | 176.2 | 63.4 | -86.7 | -165 | 0 | 0 | 113.3 | S171 S178 V185 W228 P272 R275 | S171-E173 VanDerWaalsContact C-N 3.27Å; S171-E173 VanDerWaalsContact CB-CD 3.5Å; S171-E173 WeakPolarHBondContact CB-OE1 3.15Å; S171-E173 WeakPolarHBondContact CB-OE2 3.41Å; S171-E173 PolarHBondContact O-N 2.81Å; S171-E173 PolarHBondContact OG-OE1 3.41Å; S171-E173 PolarHBondContact OG-OE2 3.45Å; E173-S178 WeakPolarHBondContact O-CB 3.49Å; E173-S178 PolarHBondContact O-N 2.74Å; E173-V185 HydrophobicContact CG-CG1 4.3Å; E173-V185 WeakPolarHBondContact OE1-CG1 3.36Å; E173-W228 HydrophobicContact CB-CH2 3.71Å; E173-W228 HydrophobicContact CB-CZ2 3.75Å; E173-P272 HydrophobicContact CB-CG 4.15Å; E173-P272 HydrophobicContact CG-CG 4.06Å; E173-R275 IonicContact OE1-CZ 2.96Å; E173-R275 IonicContact OE1-NH1 3.46Å; E173-R275 PolarHBondContact OE1-NH1 3.24Å; E173-R275 IonicContact OE1-NH2 2.71Å; E173-R275 IonicContact OE2-CZ 3.14Å; E173-R275 IonicContact OE2-NH1 3.61Å; E173-R275 PolarHBondContact OE2-NH1 2.77Å; E173-R275 IonicContact OE2-NH2 2.77Å; E173-R275 PolarHBondContact OE2-NH2 3.19Å |
| 174 | V | 92.4 | Very high | 86.7 | Confident | 35 Ų | 35 | 46.1 Ų | 46.1 | 21% | 0.212 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -76.1 | -40.5 | 174.2 | -180 | 0 | 0 | 0 | 0 | 110.1 | R170 S171 P172 L176 G177 Y181 V185 | R170-V174 HydrophobicContact CG-CB 3.9Å; R170-V174 HydrophobicContact CG-CG1 3.87Å; S171-V174 PolarHBondContact O-N 2.9Å; S171-V174 VanDerWaalsContact O-N 3.16Å; S171-V174 WeakPolarHBondContact OG-CG2 3.27Å; P172-V174 VanDerWaalsContact C-N 3.31Å; P172-V174 PolarHBondContact O-N 3.2Å; V174-L176 VanDerWaalsContact C-N 3.29Å; V174-L176 PolarHBondContact O-N 3Å; V174-G177 PolarHBondContact O-N 3.04Å; V174-Y181 HydrophobicContact CG2-CD1 4.47Å; V174-Y181 HydrophobicContact CG2-CG 4.34Å; V174-V185 HydrophobicContact CG2-CG1 3.94Å |
| 175 | L | 94.3 | Very high | 88.9 | Confident | 4 Ų | 4 | 42.4 Ų | 42.4 | 2% | 0.021 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -67.4 | -27.1 | 177.6 | -70.6 | 165.1 | 0 | 0 | 0 | 113.4 | R170 S171 P172 G177 E209 Q212 L213 I216 | R170-L175 HydrophobicContact CB-CD2 4.49Å; R170-L175 HydrophobicContact CB-CG 4.33Å; R170-L175 HydrophobicContact CG-CD2 4.3Å; R170-L175 HydrophobicContact CG-CG 4.04Å; S171-L175 PolarHBondContact O-N 2.71Å; S171-L175 VanDerWaalsContact O-N 3.12Å; P172-L175 PolarHBondContact O-N 3.46Å; L175-G177 VanDerWaalsContact C-N 3.31Å; L175-E209 HydrophobicContact CD2-CB 4.05Å; L175-E209 HydrophobicContact CD2-CG 4.22Å; L175-Q212 HydrophobicContact CD1-CB 4.28Å; L175-Q212 HydrophobicContact CD1-CG 3.6Å; L175-Q212 HydrophobicContact CD2-CB 4.43Å; L175-Q212 HydrophobicContact CD2-CG 4.27Å; L175-L213 HydrophobicContact CB-CD1 4.19Å; L175-L213 HydrophobicContact CB-CD2 3.59Å; L175-L213 HydrophobicContact CB-CG 3.78Å; L175-L213 HydrophobicContact CD1-CD2 4.04Å; L175-L213 HydrophobicContact CD1-CG 4.21Å; L175-L213 HydrophobicContact CG-CD2 4.46Å; L175-I216 HydrophobicContact CD1-CD1 3.77Å |
| 176 | L | 95.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | 8 | 176.4 | -69.3 | 170.7 | 0 | 0 | 0 | 113.3 | P172 V174 L213 W228 V231 L234 D236 Y237 F241 | P172-L176 VanDerWaalsContact O-CB 3.32Å; P172-L176 WeakPolarHBondContact O-CB 3.37Å; P172-L176 VanDerWaalsContact O-CG 3.29Å; P172-L176 WeakPolarHBondContact O-CG 3.34Å; P172-L176 PolarHBondContact O-N 2.92Å; V174-L176 VanDerWaalsContact C-N 3.29Å; V174-L176 PolarHBondContact O-N 3Å; L176-L213 HydrophobicContact CD2-CD1 3.85Å; L176-L213 HydrophobicContact CD2-CD2 4.16Å; L176-L213 HydrophobicContact CG-CD1 4.42Å; L176-L213 HydrophobicContact CG-CD2 4.01Å; L176-W228 HydrophobicContact CD1-CH2 3.95Å; L176-W228 HydrophobicContact CD1-CZ3 3.75Å; L176-V231 HydrophobicContact CD1-CG2 3.86Å; L176-L234 HydrophobicContact CB-CB 4.15Å; L176-L234 HydrophobicContact CB-CD1 3.7Å; L176-L234 HydrophobicContact CD1-CD1 3.94Å; L176-L234 HydrophobicContact CG-CD1 4.48Å; L176-D236 PolarHBondContact O-N 2.79Å; L176-D236 VanDerWaalsContact O-N 3.1Å; L176-Y237 HydrophobicContact CD2-CD2 4.47Å; L176-F241 HydrophobicContact CD2-CE2 3.99Å; L176-F241 HydrophobicContact CD2-CZ 4.44Å |
| 177 | G | 88.6 | Confident | 91.6 | Very high | 22 Ų | 22 | 36.7 Ų | 36.7 | 23% | 0.227 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78 | 25.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | V174 L175 A179 D236 | V174-G177 PolarHBondContact O-N 3.04Å; L175-G177 VanDerWaalsContact C-N 3.31Å; G177-A179 PolarHBondContact O-N 2.77Å; G177-A179 VanDerWaalsContact O-N 3.16Å; G177-D236 WeakPolarHBondContact CA-OD2 3.5Å |
| 178 | S | 88.2 | Confident | 92 | Very high | 29 Ų | 29 | 35.8 Ų | 35.8 | 20% | 0.203 | 19% | 0.192 | C | C | . | . | trans | -63.8 | 119.2 | 173.6 | -176.3 | 0 | 0 | 0 | 0 | 110.6 | E173 R180 | E173-S178 WeakPolarHBondContact O-CB 3.49Å; E173-S178 PolarHBondContact O-N 2.74Å; S178-R180 PolarHBondContact O-N 3.22Å; S178-R180 PolarHBondContact OG-N 3.35Å; S178-R180 PolarHBondContact OG-O 2.93Å | ||
| 179 | A | 74.6 | Confident | 92.1 | Very high | 100 Ų | 100 | 33.5 Ų | 33.5 | 83% | 0.826 | 18% | 0.184 | S | C | * | . | S | Bend | trans | -66.3 | -18.9 | 173 | 0 | 0 | 0 | 0 | 0 | 112.9 | G177 | G177-A179 PolarHBondContact O-N 2.77Å; G177-A179 VanDerWaalsContact O-N 3.16Å |
| 180 | R | 76.5 | Confident | 92.2 | Very high | 226 Ų | 226 | 33.1 Ų | 33.1 | 85% | 0.853 | 18% | 0.183 | S | C | * | . | trans | -117 | 114.5 | -178.1 | -63.1 | -178.2 | -177 | -179.3 | 2.1 | 109.7 | S178 | S178-R180 PolarHBondContact O-N 3.22Å; S178-R180 PolarHBondContact OG-N 3.35Å; S178-R180 PolarHBondContact OG-O 2.93Å | ||
| 181 | Y | 80.1 | Confident | 92.4 | Very high | 82 Ų | 82 | 31.2 Ų | 31.2 | 32% | 0.322 | 18% | 0.176 | S | C | . | . | trans | -140.6 | 155 | 173.7 | 58.9 | -95 | 0 | 0 | 0 | 110.4 | R127 V174 V185 | R127-Y181 HydrophobicContact CG-CE2 4.46Å; R127-Y181 PolarHBondContact NH1-OH 2.78Å; V174-Y181 HydrophobicContact CG2-CD1 4.47Å; V174-Y181 HydrophobicContact CG2-CG 4.34Å; Y181-V185 HydrophobicContact CD2-CG1 4.12Å; Y181-V185 HydrophobicContact CG-CG1 4.26Å | ||
| 182 | S | 87.9 | Confident | 92.5 | Very high | 66 Ų | 66 | 31.2 Ų | 31.2 | 46% | 0.462 | 18% | 0.176 | S | C | . | . | trans | -143.4 | -157.4 | -171 | -167.5 | 0 | 0 | 0 | 0 | 110.6 | P184 V185 | S182-P184 VanDerWaalsContact C-N 3.26Å; S182-P184 WeakPolarHBondContact O-CD 3.46Å; S182-P184 VanDerWaalsContact O-N 3.09Å; S182-V185 WeakPolarHBondContact O-CG2 3.47Å; S182-V185 PolarHBondContact O-N 2.73Å | ||
| 183 | T | 91.7 | Very high | 92.6 | Very high | 50 Ų | 50 | 31.3 Ų | 31.3 | 31% | 0.307 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -48.2 | -30.3 | 178.9 | 59.4 | 0 | 0 | 0 | 0 | 116.2 | H120 L125 V185 D186 | H120-T183 HydrophobicContact CB-CG2 3.88Å; H120-T183 VanDerWaalsContact CE1-CB 3.5Å; H120-T183 WeakPolarHBondContact CE1-CB 3.33Å; H120-T183 PolarHBondContact CE1-O 3.19Å; H120-T183 VanDerWaalsContact CE1-O 3.3Å; H120-T183 WeakPolarHBondContact ND1-CB 3.37Å; L125-T183 HydrophobicContact CD2-CG2 3.68Å; T183-V185 PolarHBondContact O-N 2.89Å; T183-D186 PolarHBondContact O-N 2.92Å |
| 184 | P | 96.7 | Very high | 92.7 | Very high | 20 Ų | 20 | 31 Ų | 31 | 13% | 0.13 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.6 | -24 | 179.4 | -26.3 | 37.6 | 0 | 0 | 0 | 114.8 | S182 D186 I187 W188 P272 R275 | S182-P184 VanDerWaalsContact C-N 3.26Å; S182-P184 WeakPolarHBondContact O-CD 3.46Å; S182-P184 VanDerWaalsContact O-N 3.09Å; P184-D186 VanDerWaalsContact C-N 3.31Å; P184-D186 PolarHBondContact O-N 2.84Å; P184-I187 PolarHBondContact O-N 2.78Å; P184-W188 PolarHBondContact O-N 2.54Å; P184-P272 HydrophobicContact CB-CB 3.89Å; P184-P272 HydrophobicContact CG-CB 4Å; P184-P272 WeakPolarHBondContact CG-O 3.47Å; P184-R275 VanDerWaalsContact C-NH1 3.3Å; P184-R275 HydrophobicContact CB-CB 4.47Å; P184-R275 WeakPolarHBondContact O-CD 3.24Å; P184-R275 PolarHBondContact O-NH1 2.91Å |
| 185 | V | 95.1 | Very high | 93 | Very high | 7 Ų | 7 | 29.4 Ų | 29.4 | 4% | 0.042 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.6 | -39.8 | 179.2 | -53.2 | 0 | 0 | 0 | 0 | 111.3 | S171 E173 V174 Y181 S182 T183 I187 W188 S189 | S171-V185 WeakPolarHBondContact OG-CG1 3.25Å; E173-V185 HydrophobicContact CG-CG1 4.3Å; E173-V185 WeakPolarHBondContact OE1-CG1 3.36Å; V174-V185 HydrophobicContact CG2-CG1 3.94Å; Y181-V185 HydrophobicContact CD2-CG1 4.12Å; Y181-V185 HydrophobicContact CG-CG1 4.26Å; S182-V185 WeakPolarHBondContact O-CG2 3.47Å; S182-V185 PolarHBondContact O-N 2.73Å; T183-V185 PolarHBondContact O-N 2.89Å; V185-I187 VanDerWaalsContact C-N 3.34Å; V185-W188 WeakPolarHBondContact O-CB 3.5Å; V185-W188 PolarHBondContact O-N 2.85Å; V185-S189 PolarHBondContact O-N 3.25Å; V185-S189 PolarHBondContact O-OG 3Å |
| 186 | D | 96.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -69.3 | -36.2 | 178.5 | -66.6 | -32.1 | 0 | 0 | 0 | 110.6 | I116 H120 H126 R127 L129 T183 P184 W188 S189 I190 | I116-D186 HydrophobicContact CD1-CB 3.97Å; I116-D186 HydrophobicContact CG1-CB 3.93Å; H120-D186 IonicContact CD2-OD2 3.76Å; H120-D186 IonicContact CE1-OD2 3.86Å; H120-D186 IonicContact NE2-OD2 2.85Å; H120-D186 PolarHBondContact NE2-OD2 2.78Å; H126-D186 WeakPolarHBondContact CB-OD1 3.24Å; H126-D186 PolarHBondContact N-OD1 3.16Å; H126-D186 PolarHBondContact N-OD2 3.07Å; R127-D186 PolarHBondContact N-OD1 3.12Å; L129-D186 HydrophobicContact CD1-CB 3.87Å; T183-D186 PolarHBondContact O-N 2.92Å; P184-D186 VanDerWaalsContact C-N 3.31Å; P184-D186 PolarHBondContact O-N 2.84Å; D186-W188 VanDerWaalsContact C-N 3.34Å; D186-W188 PolarHBondContact O-N 2.96Å; D186-S189 PolarHBondContact O-N 3.27Å; D186-I190 VanDerWaalsContact O-CG1 3.25Å; D186-I190 WeakPolarHBondContact O-CG1 3.39Å; D186-I190 PolarHBondContact O-N 3.25Å |
| 187 | I | 98.8 | Very high | 93.4 | Very high | 2 Ų | 2 | 29.2 Ų | 29.2 | 1% | 0.01 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -65.3 | -39.1 | 176.5 | -56.6 | -56.4 | 0 | 0 | 0 | 111.4 | I116 P184 V185 I190 G191 M267 R275 I276 | I116-I187 HydrophobicContact CG2-CD1 4.36Å; P184-I187 PolarHBondContact O-N 2.78Å; V185-I187 VanDerWaalsContact C-N 3.34Å; I187-I190 HydrophobicContact CD1-CD1 4.47Å; I187-I190 PolarHBondContact O-N 3.25Å; I187-G191 PolarHBondContact O-N 2.61Å; I187-M267 HydrophobicContact CG2-CB 4.1Å; I187-M267 HydrophobicContact CG2-CG 3.99Å; I187-R275 HydrophobicContact CG2-CG 4.21Å; I187-I276 HydrophobicContact CG2-CG2 4.18Å; I187-I276 WeakPolarHBondContact CG2-O 3.17Å |
| 188 | W | 98.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -60.5 | -47.9 | 174.3 | 179.2 | -82.6 | 0 | 0 | 0 | 111.5 | R170 S171 P172 P184 V185 D186 I190 G191 T192 F204 I216 L220 L268 | R170-W188 PolarHBondContact O-NE1 3.4Å; R170-W188 VanDerWaalsContact O-NE1 3.13Å; S171-W188 VanDerWaalsContact CA-CD1 3.42Å; P172-W188 HydrophobicContact CG-CE3 4.2Å; P172-W188 HydrophobicContact CG-CH2 3.87Å; P172-W188 HydrophobicContact CG-CZ2 4.26Å; P172-W188 HydrophobicContact CG-CZ3 3.83Å; P184-W188 PolarHBondContact O-N 2.54Å; V185-W188 WeakPolarHBondContact O-CB 3.5Å; V185-W188 PolarHBondContact O-N 2.85Å; D186-W188 VanDerWaalsContact C-N 3.34Å; D186-W188 PolarHBondContact O-N 2.96Å; W188-I190 VanDerWaalsContact C-N 3.29Å; W188-I190 PolarHBondContact O-N 2.92Å; W188-G191 PolarHBondContact O-N 2.73Å; W188-G191 VanDerWaalsContact O-N 3.12Å; W188-T192 PolarHBondContact O-N 3.43Å; W188-T192 PolarHBondContact O-OG1 3.26Å; W188-F204 HydrophobicContact CH2-CE2 4.49Å; W188-F204 HydrophobicContact CZ2-CD2 4.33Å; W188-F204 AromaticContact CZ2-CE2 3.74Å; W188-F204 HydrophobicContact CZ2-CE2 3.74Å; W188-I216 HydrophobicContact CH2-CG2 3.68Å; W188-I216 HydrophobicContact CZ2-CD1 3.88Å; W188-I216 HydrophobicContact CZ2-CG1 4.03Å; W188-I216 HydrophobicContact CZ2-CG2 3.75Å; W188-L220 HydrophobicContact CH2-CD1 3.67Å; W188-L220 HydrophobicContact CZ3-CD1 4.31Å; W188-L268 HydrophobicContact CD2-CD2 3.84Å; W188-L268 HydrophobicContact CE3-CD2 3.9Å; W188-L268 HydrophobicContact CG-CD2 4.37Å; W188-L268 HydrophobicContact CH2-CD2 4.37Å; W188-L268 HydrophobicContact CZ2-CD2 4.29Å; W188-L268 HydrophobicContact CZ3-CB 4.21Å; W188-L268 HydrophobicContact CZ3-CD2 4.18Å; W188-L268 VanDerWaalsContact CZ3-O 3.32Å; W188-L268 WeakPolarHBondContact CZ3-O 3.26Å |
| 189 | S | 98.3 | Very high | 94.2 | Very high | 6 Ų | 6 | 28 Ų | 28 | 4% | 0.042 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -57.4 | -43.9 | 175.8 | -55 | 0 | 0 | 0 | 0 | 111.1 | Y169 V185 D186 G191 T192 I193 | Y169-S189 WeakPolarHBondContact O-CA 3.38Å; Y169-S189 WeakPolarHBondContact O-CB 3.26Å; Y169-S189 PolarHBondContact O-OG 3.42Å; V185-S189 PolarHBondContact O-N 3.25Å; V185-S189 PolarHBondContact O-OG 3Å; D186-S189 PolarHBondContact O-N 3.27Å; S189-G191 PolarHBondContact O-N 3.22Å; S189-T192 WeakPolarHBondContact CA-OG1 3.48Å; S189-T192 PolarHBondContact O-N 2.73Å; S189-T192 PolarHBondContact O-OG1 3.43Å; S189-I193 WeakPolarHBondContact O-CD1 3.39Å; S189-I193 VanDerWaalsContact O-CG1 3.25Å; S189-I193 WeakPolarHBondContact O-CG1 3.45Å; S189-I193 PolarHBondContact O-N 3.41Å |
| 190 | I | 98.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -62.4 | -40.6 | 176 | -66.8 | 165.6 | 0 | 0 | 0 | 111.8 | L109 I112 L113 I116 L129 D186 I187 W188 I193 F194 M267 | L109-I190 HydrophobicContact CD1-CG2 3.61Å; I112-I190 HydrophobicContact CG2-CB 4.49Å; I112-I190 HydrophobicContact CG2-CD1 3.79Å; I112-I190 HydrophobicContact CG2-CG1 3.69Å; I112-I190 HydrophobicContact CG2-CG2 4.02Å; L113-I190 HydrophobicContact CD2-CD1 4.43Å; L113-I190 HydrophobicContact CD2-CG2 4.24Å; I116-I190 HydrophobicContact CB-CD1 3.93Å; I116-I190 HydrophobicContact CG1-CD1 4.06Å; I116-I190 HydrophobicContact CG2-CD1 3.6Å; L129-I190 HydrophobicContact CD1-CD1 3.9Å; L129-I190 HydrophobicContact CD1-CG1 3.7Å; D186-I190 VanDerWaalsContact O-CG1 3.25Å; D186-I190 WeakPolarHBondContact O-CG1 3.39Å; D186-I190 PolarHBondContact O-N 3.25Å; I187-I190 HydrophobicContact CD1-CD1 4.47Å; I187-I190 PolarHBondContact O-N 3.25Å; W188-I190 VanDerWaalsContact C-N 3.29Å; W188-I190 PolarHBondContact O-N 2.92Å; I190-I193 PolarHBondContact O-N 3.45Å; I190-F194 WeakPolarHBondContact O-CB 3.37Å; I190-F194 PolarHBondContact O-N 3.3Å; I190-M267 HydrophobicContact CG2-CE 4.34Å; I190-M267 HydrophobicContact CG2-SD 4.28Å |
| 191 | G | 98.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -61.1 | -44.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | I187 W188 S189 I193 F194 A195 L264 | I187-G191 PolarHBondContact O-N 2.61Å; W188-G191 PolarHBondContact O-N 2.73Å; W188-G191 VanDerWaalsContact O-N 3.12Å; S189-G191 PolarHBondContact O-N 3.22Å; G191-I193 PolarHBondContact O-N 2.94Å; G191-F194 WeakPolarHBondContact O-CB 3.5Å; G191-F194 PolarHBondContact O-N 3.02Å; G191-A195 PolarHBondContact O-N 3.22Å; G191-A195 VanDerWaalsContact O-N 3.1Å; G191-L264 WeakPolarHBondContact O-CD1 3.25Å |
| 192 | T | 98.7 | Very high | 96.9 | Very high | 1 Ų | 1 | 18.6 Ų | 18.6 | 1% | 0.006 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -64.8 | -37.8 | 175.3 | 54.9 | 0 | 0 | 0 | 0 | 112.6 | Y169 W188 S189 A195 E196 F204 L268 | Y169-T192 WeakPolarHBondContact CD1-OG1 3.47Å; W188-T192 PolarHBondContact O-N 3.43Å; W188-T192 PolarHBondContact O-OG1 3.26Å; S189-T192 WeakPolarHBondContact CA-OG1 3.48Å; S189-T192 PolarHBondContact O-N 2.73Å; S189-T192 PolarHBondContact O-OG1 3.43Å; T192-A195 PolarHBondContact O-N 3.13Å; T192-E196 PolarHBondContact O-N 3.36Å; T192-E196 VanDerWaalsContact O-N 3.12Å; T192-F204 HydrophobicContact CG2-CD2 3.64Å; T192-F204 HydrophobicContact CG2-CE2 3.76Å; T192-L268 HydrophobicContact CG2-CD2 4.06Å |
| 193 | I | 98.8 | Very high | 97.4 | Very high | 2 Ų | 2 | 17 Ų | 17 | 1% | 0.01 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -65.5 | -39.3 | 173 | -68.2 | 161.6 | 0 | 0 | 0 | 111.1 | L87 L129 P131 L134 Y169 S189 I190 G191 A195 E196 L197 | L87-I193 HydrophobicContact CD2-CG2 4.12Å; L129-I193 HydrophobicContact CB-CD1 4.18Å; P131-I193 HydrophobicContact CG-CG1 4.44Å; L134-I193 HydrophobicContact CD1-CD1 4.05Å; L134-I193 HydrophobicContact CD1-CG2 3.88Å; Y169-I193 HydrophobicContact CD1-CD1 4.46Å; Y169-I193 HydrophobicContact CD1-CG1 3.75Å; Y169-I193 HydrophobicContact CE1-CG1 3.92Å; S189-I193 WeakPolarHBondContact O-CD1 3.39Å; S189-I193 VanDerWaalsContact O-CG1 3.25Å; S189-I193 WeakPolarHBondContact O-CG1 3.45Å; S189-I193 PolarHBondContact O-N 3.41Å; I190-I193 PolarHBondContact O-N 3.45Å; G191-I193 PolarHBondContact O-N 2.94Å; I193-A195 PolarHBondContact O-N 2.9Å; I193-E196 CarbonylContact O-C 3.45Å; I193-E196 PolarHBondContact O-N 3.43Å; I193-E196 VanDerWaalsContact O-N 3.11Å; I193-L197 HydrophobicContact CG2-CD1 4.39Å; I193-L197 HydrophobicContact CG2-CG 4.35Å; I193-L197 WeakPolarHBondContact O-CG 3.24Å; I193-L197 PolarHBondContact O-N 3.16Å |
| 194 | F | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -60.9 | -44.6 | 177.4 | 178.7 | -154.8 | 0 | 0 | 0 | 111.7 | V105 L109 I190 G191 E196 L197 A198 L256 G260 L263 L264 M267 Y286 | V105-F194 HydrophobicContact CG1-CD2 4Å; V105-F194 HydrophobicContact CG1-CE2 3.76Å; L109-F194 HydrophobicContact CD1-CB 3.89Å; L109-F194 HydrophobicContact CD1-CD2 4.43Å; L109-F194 HydrophobicContact CD1-CG 4.07Å; L109-F194 HydrophobicContact CD2-CB 4.38Å; L109-F194 HydrophobicContact CD2-CD1 3.65Å; L109-F194 HydrophobicContact CD2-CD2 3.66Å; L109-F194 HydrophobicContact CD2-CE1 3.71Å; L109-F194 HydrophobicContact CD2-CE2 3.71Å; L109-F194 HydrophobicContact CD2-CG 3.63Å; L109-F194 HydrophobicContact CD2-CZ 3.74Å; L109-F194 HydrophobicContact CG-CD2 4.45Å; L109-F194 HydrophobicContact CG-CG 4.42Å; I190-F194 WeakPolarHBondContact O-CB 3.37Å; I190-F194 PolarHBondContact O-N 3.3Å; G191-F194 WeakPolarHBondContact O-CB 3.5Å; G191-F194 PolarHBondContact O-N 3.02Å; F194-E196 VanDerWaalsContact C-N 3.29Å; F194-E196 PolarHBondContact O-N 2.88Å; F194-L197 WeakPolarHBondContact O-CB 3.49Å; F194-L197 PolarHBondContact O-N 3.5Å; F194-A198 PolarHBondContact O-N 3.29Å; F194-L256 HydrophobicContact CD2-CD2 4.42Å; F194-L256 HydrophobicContact CE1-CD1 4.15Å; F194-L256 HydrophobicContact CE2-CD1 4.29Å; F194-L256 HydrophobicContact CE2-CD2 3.46Å; F194-L256 VanDerWaalsContact CE2-CD2 3.46Å; F194-L256 HydrophobicContact CZ-CD1 3.93Å; F194-L256 HydrophobicContact CZ-CD2 3.52Å; F194-L256 HydrophobicContact CZ-CG 4.4Å; F194-G260 WeakPolarHBondContact CE1-O 3.48Å; F194-L263 HydrophobicContact CE1-CB 4.47Å; F194-L263 HydrophobicContact CE1-CD2 4.41Å; F194-L263 HydrophobicContact CE1-CG 4.48Å; F194-L264 HydrophobicContact CB-CD1 4.4Å; F194-L264 HydrophobicContact CD1-CB 3.94Å; F194-L264 HydrophobicContact CD1-CD1 3.97Å; F194-L264 HydrophobicContact CD1-CG 4.47Å; F194-L264 HydrophobicContact CE1-CB 3.97Å; F194-M267 HydrophobicContact CD1-SD 4.4Å; F194-Y286 HydrophobicContact CE2-CE1 4.03Å; F194-Y286 HydrophobicContact CZ-CD1 4.33Å; F194-Y286 AromaticContact CZ-CE1 3.69Å; F194-Y286 HydrophobicContact CZ-CE1 3.69Å; F194-Y286 HydrophobicContact CZ-CE2 4.4Å; F194-Y286 AromaticContact CZ-CZ 3.73Å |
| 195 | A | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -61.6 | -38 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | G191 T192 I193 A198 T199 L203 V253 L264 | G191-A195 PolarHBondContact O-N 3.22Å; G191-A195 VanDerWaalsContact O-N 3.1Å; T192-A195 PolarHBondContact O-N 3.13Å; I193-A195 PolarHBondContact O-N 2.9Å; A195-A198 PolarHBondContact O-N 3.24Å; A195-T199 WeakPolarHBondContact O-CB 3.26Å; A195-T199 WeakPolarHBondContact O-CG2 3.48Å; A195-T199 PolarHBondContact O-N 3.07Å; A195-T199 PolarHBondContact O-OG1 3.07Å; A195-L203 HydrophobicContact CB-CB 3.91Å; A195-L203 HydrophobicContact CB-CD1 4.19Å; A195-L203 HydrophobicContact CB-CD2 3.78Å; A195-L203 HydrophobicContact CB-CG 4.17Å; A195-V253 HydrophobicContact CB-CG1 4.22Å; A195-V253 HydrophobicContact CB-CG2 3.75Å; A195-L264 HydrophobicContact CB-CD1 4.39Å; A195-L264 HydrophobicContact CB-CD2 4.15Å |
| 196 | E | 98.4 | Very high | 97.6 | Very high | 1 Ų | 1 | 18 Ų | 18 | 1% | 0.005 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -71.1 | -34.9 | 177.1 | -176.1 | 166.8 | -176.8 | 0 | 0 | 112.8 | L91 Y169 T192 I193 F194 A198 T199 K200 K201 | L91-E196 HydrophobicContact CD1-CG 3.9Å; Y169-E196 WeakPolarHBondContact CE1-OE2 3.44Å; Y169-E196 PolarHBondContact OH-OE2 3.21Å; T192-E196 PolarHBondContact O-N 3.36Å; T192-E196 VanDerWaalsContact O-N 3.12Å; I193-E196 CarbonylContact O-C 3.45Å; I193-E196 PolarHBondContact O-N 3.43Å; I193-E196 VanDerWaalsContact O-N 3.11Å; F194-E196 VanDerWaalsContact C-N 3.29Å; F194-E196 PolarHBondContact O-N 2.88Å; E196-A198 VanDerWaalsContact C-N 3.28Å; E196-A198 PolarHBondContact O-N 3.45Å; E196-T199 PolarHBondContact O-N 3.1Å; E196-K200 WeakPolarHBondContact O-CA 3.04Å; E196-K200 PolarHBondContact O-N 3.24Å; E196-K201 WeakPolarHBondContact CA-O 3.4Å; E196-K201 WeakPolarHBondContact CB-O 3.31Å |
| 197 | L | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -57.9 | -42.3 | 171.3 | -75.2 | 172.6 | 0 | 0 | 0 | 111.4 | L87 M100 V105 Y108 I193 F194 | L87-L197 HydrophobicContact CD1-CD2 3.65Å; L87-L197 HydrophobicContact CD2-CD2 3.74Å; L87-L197 HydrophobicContact CD2-CG 4.42Å; L87-L197 HydrophobicContact CG-CD2 4.19Å; M100-L197 HydrophobicContact CE-CD2 3.51Å; M100-L197 HydrophobicContact SD-CD2 3.93Å; V105-L197 HydrophobicContact CG1-CB 3.93Å; V105-L197 HydrophobicContact CG1-CD1 4.47Å; V105-L197 HydrophobicContact CG2-CB 4.21Å; Y108-L197 HydrophobicContact CD2-CD2 4.39Å; I193-L197 HydrophobicContact CG2-CD1 4.39Å; I193-L197 HydrophobicContact CG2-CG 4.35Å; I193-L197 WeakPolarHBondContact O-CG 3.24Å; I193-L197 PolarHBondContact O-N 3.16Å; F194-L197 WeakPolarHBondContact O-CB 3.49Å; F194-L197 PolarHBondContact O-N 3.5Å |
| 198 | A | 97.8 | Very high | 97 | Very high | 4 Ų | 4 | 26 Ų | 26 | 3% | 0.033 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -74.8 | -35.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | F194 A195 E196 V253 L256 | F194-A198 PolarHBondContact O-N 3.29Å; A195-A198 PolarHBondContact O-N 3.24Å; E196-A198 VanDerWaalsContact C-N 3.28Å; E196-A198 PolarHBondContact O-N 3.45Å; A198-V253 HydrophobicContact CB-CG1 4.16Å; A198-L256 HydrophobicContact CB-CD2 3.89Å; A198-L256 HydrophobicContact CB-CG 3.9Å |
| 199 | T | 96.8 | Very high | 96.8 | Very high | 21 Ų | 21 | 29.2 Ų | 29.2 | 13% | 0.129 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -109.1 | -11.2 | -169.6 | 63.4 | 0 | 0 | 0 | 0 | 115 | A195 E196 K201 V253 | A195-T199 WeakPolarHBondContact O-CB 3.26Å; A195-T199 WeakPolarHBondContact O-CG2 3.48Å; A195-T199 PolarHBondContact O-N 3.07Å; A195-T199 PolarHBondContact O-OG1 3.07Å; E196-T199 PolarHBondContact O-N 3.1Å; T199-K201 PolarHBondContact O-N 3.11Å; T199-K201 PolarHBondContact OG1-N 3.48Å; T199-K201 PolarHBondContact OG1-O 3.48Å; T199-V253 HydrophobicContact CG2-CB 4.41Å; T199-V253 HydrophobicContact CG2-CG1 3.93Å |
| 200 | K | 95.9 | Very high | 96.6 | Very high | 38 Ų | 38 | 32.5 Ų | 32.5 | 17% | 0.165 | 17% | 0.165 | C | C | . | . | S | Bend | trans | 60 | 13.8 | -169.5 | -46.6 | -169.6 | -58.1 | 178.8 | 0 | 114.9 | I94 P95 Q98 Y99 E196 | I94-K200 HydrophobicContact CB-CD 3.81Å; I94-K200 HydrophobicContact CD1-CD 4.08Å; I94-K200 HydrophobicContact CG2-CD 3.76Å; I94-K200 PolarHBondContact O-NZ 3.42Å; P95-K200 PolarHBondContact O-NZ 3.33Å; Q98-K200 WeakPolarHBondContact O-CD 3.45Å; Q98-K200 WeakPolarHBondContact O-CE 3.39Å; Q98-K200 PolarHBondContact O-NZ 2.79Å; Y99-K200 HydrophobicContact CD1-CG 4.3Å; E196-K200 WeakPolarHBondContact O-CA 3.04Å; E196-K200 PolarHBondContact O-N 3.24Å |
| 201 | K | 95.3 | Very high | 96.5 | Very high | 149 Ų | 149 | 34.2 Ų | 34.2 | 65% | 0.648 | 17% | 0.174 | S | C | * | . | S | Bend | trans | -129.7 | 141.6 | -177.5 | -65.1 | -178.6 | -176.3 | -179.3 | 0 | 110.1 | E196 T199 L203 | E196-K201 WeakPolarHBondContact CA-O 3.4Å; E196-K201 WeakPolarHBondContact CB-O 3.31Å; T199-K201 PolarHBondContact O-N 3.11Å; T199-K201 PolarHBondContact OG1-N 3.48Å; T199-K201 PolarHBondContact OG1-O 3.48Å; K201-L203 PolarHBondContact O-N 2.8Å |
| 202 | P | 96.8 | Very high | 96.4 | Very high | 23 Ų | 23 | 34.2 Ų | 34.2 | 15% | 0.149 | 17% | 0.174 | C | C | . | . | trans | -56.6 | 128.9 | 171.8 | -22.2 | 31.6 | 0 | 0 | 0 | 110.2 | W168 F204 H205 | W168-P202 HydrophobicContact CB-CB 4.43Å; W168-P202 HydrophobicContact CD2-CB 4.07Å; W168-P202 HydrophobicContact CD2-CG 4.2Å; W168-P202 HydrophobicContact CE3-CB 3.65Å; W168-P202 HydrophobicContact CE3-CG 3.39Å; W168-P202 HydrophobicContact CG-CB 4.41Å; W168-P202 HydrophobicContact CH2-CG 4.36Å; W168-P202 HydrophobicContact CZ3-CB 4.25Å; W168-P202 HydrophobicContact CZ3-CG 3.49Å; W168-P202 VanDerWaalsContact CZ3-CG 3.49Å; P202-F204 VanDerWaalsContact C-N 3.35Å; P202-F204 PolarHBondContact O-N 3.29Å; P202-H205 HydrophobicContact CB-CB 4.31Å | ||
| 203 | L | 97.6 | Very high | 96.4 | Very high | 33 Ų | 33 | 34.4 Ų | 34.4 | 17% | 0.173 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -62.6 | -43.4 | -179.2 | 179.9 | 61 | 0 | 0 | 0 | 111.6 | A195 K201 H252 V253 L268 | A195-L203 HydrophobicContact CB-CB 3.91Å; A195-L203 HydrophobicContact CB-CD1 4.19Å; A195-L203 HydrophobicContact CB-CD2 3.78Å; A195-L203 HydrophobicContact CB-CG 4.17Å; K201-L203 PolarHBondContact O-N 2.8Å; L203-H252 HydrophobicContact CD1-CB 4.09Å; L203-V253 HydrophobicContact CD1-CG2 3.77Å; L203-L268 HydrophobicContact CD2-CD1 3.63Å |
| 204 | F | 97.7 | Very high | 96.3 | Very high | 3 Ų | 3 | 37 Ų | 37 | 1% | 0.013 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -122.8 | 91.6 | 179.9 | -53.8 | -51.4 | 0 | 0 | 0 | 109.6 | W168 W188 T192 P202 G206 Q212 R215 I216 A219 L220 | W168-F204 VanDerWaalsContact CA-O 3.31Å; W168-F204 WeakPolarHBondContact CA-O 3.4Å; W168-F204 VanDerWaalsContact CB-O 3.25Å; W168-F204 WeakPolarHBondContact CB-O 3.32Å; W188-F204 HydrophobicContact CH2-CE2 4.49Å; W188-F204 HydrophobicContact CZ2-CD2 4.33Å; W188-F204 AromaticContact CZ2-CE2 3.74Å; W188-F204 HydrophobicContact CZ2-CE2 3.74Å; T192-F204 HydrophobicContact CG2-CD2 3.64Å; T192-F204 HydrophobicContact CG2-CE2 3.76Å; P202-F204 VanDerWaalsContact C-N 3.35Å; P202-F204 PolarHBondContact O-N 3.29Å; F204-G206 PolarHBondContact O-N 2.94Å; F204-Q212 PolarHBondContact O-NE2 3.12Å; F204-Q212 PolarHBondContact O-OE1 3.44Å; F204-Q212 VanDerWaalsContact O-OE1 3.05Å; F204-R215 HydrophobicContact CB-CB 4.46Å; F204-R215 HydrophobicContact CD1-CB 4.47Å; F204-I216 HydrophobicContact CB-CG1 4.25Å; F204-I216 HydrophobicContact CD1-CG1 4.08Å; F204-I216 HydrophobicContact CD2-CD1 4.46Å; F204-I216 HydrophobicContact CD2-CG1 3.66Å; F204-I216 HydrophobicContact CE1-CG1 4.36Å; F204-I216 HydrophobicContact CE2-CG1 3.95Å; F204-I216 HydrophobicContact CG-CG1 3.73Å; F204-I216 HydrophobicContact CZ-CG1 4.29Å; F204-A219 HydrophobicContact CE1-CB 3.67Å; F204-A219 HydrophobicContact CZ-CB 4.45Å; F204-L220 HydrophobicContact CZ-CD1 4.11Å; F204-L220 HydrophobicContact CZ-CG 4.32Å |
| 205 | H | 95.3 | Very high | 96.3 | Very high | 93 Ų | 93 | 41.7 Ų | 41.7 | 43% | 0.431 | 20% | 0.204 | S | C | . | . | trans | -93.3 | 67.4 | -176.3 | -165.4 | 147 | 0 | 0 | 0 | 111.5 | W168 P202 R215 | W168-H205 AromaticContact CE2-CD2 3.48Å; W168-H205 VanDerWaalsContact CE2-CD2 3.48Å; W168-H205 AromaticContact CE2-CG 3.99Å; W168-H205 AromaticContact CE2-NE2 3.74Å; W168-H205 AromaticContact CH2-CE1 3.73Å; W168-H205 AromaticContact CH2-NE2 3.67Å; W168-H205 AromaticContact CZ2-CD2 3.38Å; W168-H205 WeakPolarHBondContact CZ2-CD2 3.44Å; W168-H205 AromaticContact CZ2-CE1 3.62Å; W168-H205 AromaticContact CZ2-NE2 3.09Å; W168-H205 WeakPolarHBondContact CZ2-NE2 3.25Å; W168-H205 AromaticContact NE1-CD2 3.53Å; P202-H205 HydrophobicContact CB-CB 4.31Å; H205-R215 WeakPolarHBondContact O-CD 3.21Å; H205-R215 PolarHBondContact O-NE 3.34Å; H205-R215 PolarHBondContact O-NH1 3.22Å; H205-R215 PolarHBondContact O-NH2 2.8Å | ||
| 206 | G | 94.9 | Very high | 96.2 | Very high | 3 Ų | 3 | 41.7 Ų | 41.7 | 3% | 0.031 | 20% | 0.204 | C | C | . | . | trans | -79.3 | 147.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | W168 F204 D211 Q212 | W168-G206 PolarHBondContact NE1-O 3.47Å; F204-G206 PolarHBondContact O-N 2.94Å; G206-D211 VanDerWaalsContact CA-OD2 3.28Å; G206-D211 WeakPolarHBondContact CA-OD2 3.49Å; G206-Q212 VanDerWaalsContact CA-OE1 3.23Å | ||
| 207 | D | 91.6 | Very high | 96.2 | Very high | 131 Ų | 131 | 41.6 Ų | 41.6 | 70% | 0.701 | 20% | 0.204 | S | C | * | . | S | Bend | trans | -98.8 | -13 | 175 | 62.1 | 17 | 0 | 0 | 0 | 114 | D211 | D207-D211 PolarHBondContact N-OD2 3.09Å; D207-D211 VanDerWaalsContact OD1-CB 3.25Å; D207-D211 WeakPolarHBondContact OD1-CB 3.48Å |
| 208 | S | 92.3 | Very high | 96.1 | Very high | 39 Ų | 39 | 49.4 Ų | 49.4 | 27% | 0.273 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -147.9 | 164.9 | 179.9 | 57.8 | 0 | 0 | 0 | 0 | 109.5 | I210 D211 Q212 | S208-I210 VanDerWaalsContact C-N 3.26Å; S208-I210 PolarHBondContact O-N 3.35Å; S208-D211 PolarHBondContact O-N 3.23Å; S208-D211 VanDerWaalsContact OG-CB 3.25Å; S208-D211 WeakPolarHBondContact OG-CB 3.35Å; S208-D211 PolarHBondContact OG-N 3.43Å; S208-Q212 VanDerWaalsContact O-CB 3.26Å; S208-Q212 WeakPolarHBondContact O-CB 3.09Å; S208-Q212 PolarHBondContact O-N 3.18Å |
| 209 | E | 92.8 | Very high | 96 | Very high | 67 Ų | 67 | 49.4 Ų | 49.4 | 31% | 0.313 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -61.6 | -37.4 | -178.4 | -63 | -169.6 | 154.6 | 0 | 0 | 112.1 | L167 R170 L175 L213 | L167-E209 HydrophobicContact CD1-CG 4.11Å; L167-E209 HydrophobicContact CD2-CG 4.22Å; R170-E209 IonicContact CZ-OE1 2.73Å; R170-E209 IonicContact NH1-OE1 3.94Å; R170-E209 PolarHBondContact NH1-OE1 3.44Å; L175-E209 HydrophobicContact CD2-CB 4.05Å; L175-E209 HydrophobicContact CD2-CG 4.22Å; E209-L213 PolarHBondContact O-N 3.27Å |
| 210 | I | 95.1 | Very high | 96 | Very high | 75 Ų | 75 | 49.5 Ų | 49.5 | 39% | 0.385 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -71.7 | -41.9 | 176.9 | -168.4 | 60.3 | 0 | 0 | 0 | 112.3 | S208 Q212 L213 F214 F241 | S208-I210 VanDerWaalsContact C-N 3.26Å; S208-I210 PolarHBondContact O-N 3.35Å; I210-Q212 VanDerWaalsContact C-N 3.31Å; I210-Q212 PolarHBondContact O-N 2.97Å; I210-L213 PolarHBondContact O-N 3.17Å; I210-F214 HydrophobicContact CD1-CD1 4.16Å; I210-F214 HydrophobicContact CD1-CE1 3.51Å; I210-F214 HydrophobicContact CD1-CE2 4.23Å; I210-F214 HydrophobicContact CD1-CZ 3.55Å; I210-F214 HydrophobicContact CG1-CD1 4.49Å; I210-F214 HydrophobicContact CG1-CD2 4.3Å; I210-F214 HydrophobicContact CG1-CE1 3.99Å; I210-F214 HydrophobicContact CG1-CE2 3.78Å; I210-F214 HydrophobicContact CG1-CZ 3.61Å; I210-F214 VanDerWaalsContact O-CG 3.32Å; I210-F214 WeakPolarHBondContact O-CG 3.42Å; I210-F214 PolarHBondContact O-N 2.77Å; I210-F241 HydrophobicContact CD1-CD1 4.41Å; I210-F241 HydrophobicContact CD1-CE1 3.72Å; I210-F241 HydrophobicContact CD1-CZ 4.36Å |
| 211 | D | 96.2 | Very high | 96.1 | Very high | 35 Ų | 35 | 47.9 Ų | 47.9 | 19% | 0.187 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.6 | -38.9 | 175.2 | -175.1 | 48.4 | 0 | 0 | 0 | 110.9 | G206 D207 S208 L213 F214 R215 | G206-D211 VanDerWaalsContact CA-OD2 3.28Å; G206-D211 WeakPolarHBondContact CA-OD2 3.49Å; D207-D211 PolarHBondContact N-OD2 3.09Å; D207-D211 VanDerWaalsContact OD1-CB 3.25Å; D207-D211 WeakPolarHBondContact OD1-CB 3.48Å; S208-D211 PolarHBondContact O-N 3.23Å; S208-D211 VanDerWaalsContact OG-CB 3.25Å; S208-D211 WeakPolarHBondContact OG-CB 3.35Å; S208-D211 PolarHBondContact OG-N 3.43Å; D211-L213 PolarHBondContact O-N 3.37Å; D211-F214 PolarHBondContact O-N 3.33Å; D211-R215 WeakPolarHBondContact O-CG 3.15Å; D211-R215 PolarHBondContact O-N 3.28Å; D211-R215 IonicContact OD1-NE 3.97Å; D211-R215 PolarHBondContact OD1-NE 2.85Å; D211-R215 IonicContact OD1-NH2 2.8Å; D211-R215 IonicContact OD2-CZ 2.78Å; D211-R215 IonicContact OD2-NE 2.84Å; D211-R215 PolarHBondContact OD2-NE 2.94Å; D211-R215 IonicContact OD2-NH2 3.79Å; D211-R215 PolarHBondContact OD2-NH2 2.97Å |
| 212 | Q | 97.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58.6 | -48.3 | 173.8 | -174.5 | 65.2 | 29.3 | 0 | 0 | 111.3 | L167 W168 L175 F204 G206 S208 I210 R215 I216 | L167-Q212 HydrophobicContact CB-CB 4.36Å; L167-Q212 HydrophobicContact CB-CG 4.15Å; W168-Q212 PolarHBondContact O-NE2 3.28Å; L175-Q212 HydrophobicContact CD1-CB 4.28Å; L175-Q212 HydrophobicContact CD1-CG 3.6Å; L175-Q212 HydrophobicContact CD2-CB 4.43Å; L175-Q212 HydrophobicContact CD2-CG 4.27Å; F204-Q212 PolarHBondContact O-NE2 3.12Å; F204-Q212 PolarHBondContact O-OE1 3.44Å; F204-Q212 VanDerWaalsContact O-OE1 3.05Å; G206-Q212 VanDerWaalsContact CA-OE1 3.23Å; S208-Q212 VanDerWaalsContact O-CB 3.26Å; S208-Q212 WeakPolarHBondContact O-CB 3.09Å; S208-Q212 PolarHBondContact O-N 3.18Å; I210-Q212 VanDerWaalsContact C-N 3.31Å; I210-Q212 PolarHBondContact O-N 2.97Å; Q212-R215 PolarHBondContact O-N 2.8Å; Q212-I216 HydrophobicContact CG-CD1 4.31Å; Q212-I216 VanDerWaalsContact O-CG1 3.28Å; Q212-I216 WeakPolarHBondContact O-CG1 3.38Å; Q212-I216 PolarHBondContact O-N 2.84Å; Q212-I216 VanDerWaalsContact O-N 3.13Å |
| 213 | L | 97.8 | Very high | 96.3 | Very high | 6 Ų | 6 | 40.6 Ų | 40.6 | 3% | 0.031 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -58.9 | -46.8 | 174.1 | -79.3 | 171.4 | 0 | 0 | 0 | 111.9 | L175 L176 E209 I210 D211 R215 I216 F217 | L175-L213 HydrophobicContact CB-CD1 4.19Å; L175-L213 HydrophobicContact CB-CD2 3.59Å; L175-L213 HydrophobicContact CB-CG 3.78Å; L175-L213 HydrophobicContact CD1-CD2 4.04Å; L175-L213 HydrophobicContact CD1-CG 4.21Å; L175-L213 HydrophobicContact CG-CD2 4.46Å; L176-L213 HydrophobicContact CD2-CD1 3.85Å; L176-L213 HydrophobicContact CD2-CD2 4.16Å; L176-L213 HydrophobicContact CG-CD1 4.42Å; L176-L213 HydrophobicContact CG-CD2 4.01Å; E209-L213 PolarHBondContact O-N 3.27Å; I210-L213 PolarHBondContact O-N 3.17Å; D211-L213 PolarHBondContact O-N 3.37Å; L213-R215 VanDerWaalsContact C-N 3.31Å; L213-R215 PolarHBondContact O-N 2.93Å; L213-I216 WeakPolarHBondContact O-CB 3.4Å; L213-I216 PolarHBondContact O-N 3.3Å; L213-I216 VanDerWaalsContact O-N 3.16Å; L213-F217 HydrophobicContact CB-CE1 4.45Å; L213-F217 HydrophobicContact CB-CE2 4.14Å; L213-F217 HydrophobicContact CB-CZ 4.01Å; L213-F217 HydrophobicContact CD2-CE1 3.94Å; L213-F217 HydrophobicContact CD2-CZ 3.78Å; L213-F217 HydrophobicContact CG-CZ 4.37Å; L213-F217 VanDerWaalsContact O-CD1 3.24Å; L213-F217 WeakPolarHBondContact O-CD1 3.28Å; L213-F217 WeakPolarHBondContact O-CG 3.49Å; L213-F217 PolarHBondContact O-N 3.13Å |
| 214 | F | 97.7 | Very high | 96.3 | Very high | 55 Ų | 55 | 41.3 Ų | 41.3 | 24% | 0.241 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.9 | -35.7 | -179.1 | -70.3 | -8.1 | 0 | 0 | 0 | 112.7 | I210 D211 F217 R218 F241 P242 W244 | I210-F214 HydrophobicContact CD1-CD1 4.16Å; I210-F214 HydrophobicContact CD1-CE1 3.51Å; I210-F214 HydrophobicContact CD1-CE2 4.23Å; I210-F214 HydrophobicContact CD1-CZ 3.55Å; I210-F214 HydrophobicContact CG1-CD1 4.49Å; I210-F214 HydrophobicContact CG1-CD2 4.3Å; I210-F214 HydrophobicContact CG1-CE1 3.99Å; I210-F214 HydrophobicContact CG1-CE2 3.78Å; I210-F214 HydrophobicContact CG1-CZ 3.61Å; I210-F214 VanDerWaalsContact O-CG 3.32Å; I210-F214 WeakPolarHBondContact O-CG 3.42Å; I210-F214 PolarHBondContact O-N 2.77Å; D211-F214 PolarHBondContact O-N 3.33Å; F214-F217 HydrophobicContact CD1-CD2 4.1Å; F214-F217 HydrophobicContact CD1-CE2 4.39Å; F214-F217 PolarHBondContact O-N 3Å; F214-R218 WeakPolarHBondContact O-CB 3.46Å; F214-R218 WeakPolarHBondContact O-CG 3.4Å; F214-R218 PolarHBondContact O-N 3.04Å; F214-F241 AromaticContact CE1-CD1 3.8Å; F214-F241 HydrophobicContact CE1-CD1 3.8Å; F214-F241 HydrophobicContact CE1-CE1 4.28Å; F214-F241 HydrophobicContact CE1-CG 4.41Å; F214-F241 HydrophobicContact CZ-CD1 4.31Å; F214-P242 HydrophobicContact CZ-CG 4.42Å; F214-W244 HydrophobicContact CB-CH2 3.9Å; F214-W244 HydrophobicContact CB-CZ3 4.19Å; F214-W244 HydrophobicContact CD1-CH2 4.02Å; F214-W244 AromaticContact CD1-CZ3 3.88Å; F214-W244 HydrophobicContact CD1-CZ3 3.88Å; F214-W244 HydrophobicContact CD2-CH2 4.29Å; F214-W244 AromaticContact CG-CH2 3.82Å; F214-W244 HydrophobicContact CG-CH2 3.82Å; F214-W244 HydrophobicContact CG-CZ3 4.11Å |
| 215 | R | 97.3 | Very high | 96.3 | Very high | 99 Ų | 99 | 44.2 Ų | 44.2 | 37% | 0.374 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -65.4 | -41.3 | 173.4 | -72.4 | 173.9 | -170.8 | -95.1 | 5.3 | 112.2 | F204 H205 D211 Q212 L213 R218 A219 | F204-R215 HydrophobicContact CB-CB 4.46Å; F204-R215 HydrophobicContact CD1-CB 4.47Å; H205-R215 WeakPolarHBondContact O-CD 3.21Å; H205-R215 PolarHBondContact O-NE 3.34Å; H205-R215 PolarHBondContact O-NH1 3.22Å; H205-R215 PolarHBondContact O-NH2 2.8Å; D211-R215 WeakPolarHBondContact O-CG 3.15Å; D211-R215 PolarHBondContact O-N 3.28Å; D211-R215 IonicContact OD1-NE 3.97Å; D211-R215 PolarHBondContact OD1-NE 2.85Å; D211-R215 IonicContact OD1-NH2 2.8Å; D211-R215 IonicContact OD2-CZ 2.78Å; D211-R215 IonicContact OD2-NE 2.84Å; D211-R215 PolarHBondContact OD2-NE 2.94Å; D211-R215 IonicContact OD2-NH2 3.79Å; D211-R215 PolarHBondContact OD2-NH2 2.97Å; Q212-R215 PolarHBondContact O-N 2.8Å; L213-R215 VanDerWaalsContact C-N 3.31Å; L213-R215 PolarHBondContact O-N 2.93Å; R215-R218 PolarHBondContact O-N 3.3Å; R215-A219 PolarHBondContact O-N 3.16Å |
| 216 | I | 98.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.7 | -49.6 | 174 | -65.1 | 165.3 | 0 | 0 | 0 | 109.6 | L175 W188 F204 Q212 L213 R218 A219 L220 Y270 | L175-I216 HydrophobicContact CD1-CD1 3.77Å; W188-I216 HydrophobicContact CH2-CG2 3.68Å; W188-I216 HydrophobicContact CZ2-CD1 3.88Å; W188-I216 HydrophobicContact CZ2-CG1 4.03Å; W188-I216 HydrophobicContact CZ2-CG2 3.75Å; F204-I216 HydrophobicContact CB-CG1 4.25Å; F204-I216 HydrophobicContact CD1-CG1 4.08Å; F204-I216 HydrophobicContact CD2-CD1 4.46Å; F204-I216 HydrophobicContact CD2-CG1 3.66Å; F204-I216 HydrophobicContact CE1-CG1 4.36Å; F204-I216 HydrophobicContact CE2-CG1 3.95Å; F204-I216 HydrophobicContact CG-CG1 3.73Å; F204-I216 HydrophobicContact CZ-CG1 4.29Å; Q212-I216 HydrophobicContact CG-CD1 4.31Å; Q212-I216 VanDerWaalsContact O-CG1 3.28Å; Q212-I216 WeakPolarHBondContact O-CG1 3.38Å; Q212-I216 PolarHBondContact O-N 2.84Å; Q212-I216 VanDerWaalsContact O-N 3.13Å; L213-I216 WeakPolarHBondContact O-CB 3.4Å; L213-I216 PolarHBondContact O-N 3.3Å; L213-I216 VanDerWaalsContact O-N 3.16Å; I216-R218 PolarHBondContact O-N 3.23Å; I216-A219 PolarHBondContact O-N 3.26Å; I216-L220 HydrophobicContact CG2-CD1 4.08Å; I216-L220 PolarHBondContact O-N 3.43Å; I216-Y270 HydrophobicContact CG2-CE1 3.81Å; I216-Y270 WeakPolarHBondContact CG2-OH 3.37Å; I216-Y270 PolarHBondContact O-OH 3.4Å |
| 217 | F | 97.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.1 | -36.3 | -178.6 | -58.2 | -12.6 | 0 | 0 | 0 | 112.7 | L213 F214 A219 G221 T222 P223 F241 W244 Y270 | L213-F217 HydrophobicContact CB-CE1 4.45Å; L213-F217 HydrophobicContact CB-CE2 4.14Å; L213-F217 HydrophobicContact CB-CZ 4.01Å; L213-F217 HydrophobicContact CD2-CE1 3.94Å; L213-F217 HydrophobicContact CD2-CZ 3.78Å; L213-F217 HydrophobicContact CG-CZ 4.37Å; L213-F217 VanDerWaalsContact O-CD1 3.24Å; L213-F217 WeakPolarHBondContact O-CD1 3.28Å; L213-F217 WeakPolarHBondContact O-CG 3.49Å; L213-F217 PolarHBondContact O-N 3.13Å; F214-F217 HydrophobicContact CD1-CD2 4.1Å; F214-F217 HydrophobicContact CD1-CE2 4.39Å; F214-F217 PolarHBondContact O-N 3Å; F217-A219 VanDerWaalsContact C-N 3.27Å; F217-A219 PolarHBondContact O-N 3.2Å; F217-G221 CarbonylContact O-C 3.25Å; F217-G221 VanDerWaalsContact O-C 3.25Å; F217-G221 WeakPolarHBondContact O-CA 3.36Å; F217-G221 PolarHBondContact O-N 3.42Å; F217-T222 HydrophobicContact CD2-CG2 4.13Å; F217-T222 HydrophobicContact CE2-CG2 4.44Å; F217-P223 VanDerWaalsContact CD1-CD 3.48Å; F217-P223 HydrophobicContact CD1-CG 4.32Å; F217-P223 VanDerWaalsContact CE1-CD 3.43Å; F217-P223 HydrophobicContact CE1-CG 3.8Å; F217-P223 HydrophobicContact CZ-CG 4.24Å; F217-F241 HydrophobicContact CE2-CB 4.5Å; F217-F241 AromaticContact CE2-CD2 3.87Å; F217-F241 HydrophobicContact CE2-CD2 3.87Å; F217-F241 HydrophobicContact CE2-CE2 4.25Å; F217-F241 HydrophobicContact CE2-CG 4.22Å; F217-F241 HydrophobicContact CZ-CD2 4.43Å; F217-W244 HydrophobicContact CB-CE3 3.53Å; F217-W244 HydrophobicContact CB-CZ3 3.92Å; F217-W244 HydrophobicContact CD2-CE3 4.4Å; F217-W244 HydrophobicContact CD2-CZ3 4.16Å; F217-W244 WeakPolarHBondContact O-CB 3.46Å; F217-Y270 HydrophobicContact CD1-CE1 4.34Å; F217-Y270 WeakPolarHBondContact CD1-OH 3.41Å; F217-Y270 HydrophobicContact CE1-CE1 4.36Å |
| 218 | R | 95.9 | Very high | 96.8 | Very high | 163 Ų | 163 | 45.3 Ų | 45.3 | 62% | 0.615 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -63.1 | -34.7 | 175.6 | -78.4 | 171.9 | 69.5 | 136.6 | 4.8 | 112.7 | F214 R215 I216 W244 | F214-R218 WeakPolarHBondContact O-CB 3.46Å; F214-R218 WeakPolarHBondContact O-CG 3.4Å; F214-R218 PolarHBondContact O-N 3.04Å; R215-R218 PolarHBondContact O-N 3.3Å; I216-R218 PolarHBondContact O-N 3.23Å; R218-W244 HydrophobicContact CG-CD2 3.67Å; R218-W244 HydrophobicContact CG-CE3 4.27Å; R218-W244 HydrophobicContact CG-CG 3.98Å; R218-W244 HydrophobicContact CG-CH2 4.26Å; R218-W244 HydrophobicContact CG-CZ2 3.71Å |
| 219 | A | 95.9 | Very high | 97 | Very high | 5 Ų | 5 | 46.4 Ų | 46.4 | 4% | 0.041 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -83.9 | -42.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | F204 R215 I216 F217 G247 | F204-A219 HydrophobicContact CE1-CB 3.67Å; F204-A219 HydrophobicContact CZ-CB 4.45Å; R215-A219 PolarHBondContact O-N 3.16Å; I216-A219 PolarHBondContact O-N 3.26Å; F217-A219 VanDerWaalsContact C-N 3.27Å; F217-A219 PolarHBondContact O-N 3.2Å; A219-G247 WeakPolarHBondContact O-CA 3.42Å; A219-G247 PolarHBondContact O-N 3.27Å; A219-G247 VanDerWaalsContact O-N 3.09Å |
| 220 | L | 97.4 | Very high | 97.1 | Very high | 23 Ų | 23 | 50.4 Ų | 50.4 | 12% | 0.12 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -109.6 | -3.5 | -168.9 | -53.9 | -179.4 | 0 | 0 | 0 | 114 | W188 F204 I216 L249 L268 Y270 | W188-L220 HydrophobicContact CH2-CD1 3.67Å; W188-L220 HydrophobicContact CZ3-CD1 4.31Å; F204-L220 HydrophobicContact CZ-CD1 4.11Å; F204-L220 HydrophobicContact CZ-CG 4.32Å; I216-L220 HydrophobicContact CG2-CD1 4.08Å; I216-L220 PolarHBondContact O-N 3.43Å; L220-L249 HydrophobicContact CD2-CD1 3.5Å; L220-L249 HydrophobicContact CD2-CD2 4.37Å; L220-L249 HydrophobicContact CD2-CG 3.93Å; L220-L268 HydrophobicContact CD1-CB 4.17Å; L220-Y270 HydrophobicContact CB-CE2 3.73Å; L220-Y270 WeakPolarHBondContact CB-OH 3.46Å |
| 221 | G | 97.6 | Very high | 97.2 | Very high | 3 Ų | 3 | 46.8 Ų | 46.8 | 3% | 0.031 | 23% | 0.225 | C | C | . | . | trans | 89 | 151.1 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | F217 W244 Y270 | F217-G221 CarbonylContact O-C 3.25Å; F217-G221 VanDerWaalsContact O-C 3.25Å; F217-G221 WeakPolarHBondContact O-CA 3.36Å; F217-G221 PolarHBondContact O-N 3.42Å; G221-W244 CarbonylContact C-O 3.59Å; G221-W244 VanDerWaalsContact CA-O 3.31Å; G221-W244 WeakPolarHBondContact CA-O 3.25Å; G221-Y270 WeakPolarHBondContact O-CE2 3.38Å; G221-Y270 PolarHBondContact O-OH 3.16Å | ||
| 222 | T | 98.4 | Very high | 97.3 | Very high | 19 Ų | 19 | 48.9 Ų | 48.9 | 12% | 0.117 | 23% | 0.233 | C | C | . | . | trans | -71.1 | 123.3 | 176.8 | -53.1 | 0 | 0 | 0 | 0 | 109.5 | F217 F241 P242 K243 W244 | F217-T222 HydrophobicContact CD2-CG2 4.13Å; F217-T222 HydrophobicContact CE2-CG2 4.44Å; T222-F241 HydrophobicContact CG2-CB 4.38Å; T222-P242 WeakPolarHBondContact CG2-O 3.4Å; T222-P242 PolarHBondContact OG1-O 3.16Å; T222-K243 HydrophobicContact CG2-CD 4.19Å; T222-W244 PolarHBondContact N-O 3.16Å; T222-W244 PolarHBondContact OG1-N 2.92Å | ||
| 223 | P | 97.9 | Very high | 97.2 | Very high | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.006 | 27% | 0.268 | C | S | . | . | trans | -69.2 | 151.2 | -178.1 | 29.8 | -35.3 | 0 | 0 | 0 | 111.3 | F217 V227 W228 V231 Y237 Y270 | F217-P223 VanDerWaalsContact CD1-CD 3.48Å; F217-P223 HydrophobicContact CD1-CG 4.32Å; F217-P223 VanDerWaalsContact CE1-CD 3.43Å; F217-P223 HydrophobicContact CE1-CG 3.8Å; F217-P223 HydrophobicContact CZ-CG 4.24Å; P223-V227 HydrophobicContact CB-CG2 4.07Å; P223-W228 HydrophobicContact CB-CE3 4.2Å; P223-W228 HydrophobicContact CG-CE3 4.48Å; P223-V231 HydrophobicContact CB-CG1 4.48Å; P223-V231 HydrophobicContact CB-CG2 4.3Å; P223-V231 HydrophobicContact CG-CG2 4.24Å; P223-Y237 PolarHBondContact O-OH 3.32Å; P223-Y270 HydrophobicContact CB-CD1 4.17Å; P223-Y270 HydrophobicContact CB-CD2 4.15Å; P223-Y270 HydrophobicContact CB-CE1 4.35Å; P223-Y270 HydrophobicContact CB-CE2 4.32Å; P223-Y270 HydrophobicContact CB-CG 4.08Å; P223-Y270 HydrophobicContact CG-CD1 4.24Å; P223-Y270 HydrophobicContact CG-CE1 4.08Å | ||
| 224 | N | 97.6 | Very high | 97.1 | Very high | 47 Ų | 47 | 55.1 Ų | 55.1 | 25% | 0.251 | 27% | 0.274 | S | S | . | . | trans | -141.9 | 176.7 | 173.4 | 65.9 | 11.2 | 0 | 0 | 0 | 108.5 | E226 V227 W228 | N224-E226 PolarHBondContact ND2-OE2 2.99Å; N224-E226 PolarHBondContact O-N 3.19Å; N224-E226 VanDerWaalsContact O-N 3.08Å; N224-E226 VanDerWaalsContact OD1-CB 3.3Å; N224-E226 WeakPolarHBondContact OD1-CB 3.29Å; N224-E226 PolarHBondContact OD1-N 3.23Å; N224-V227 PolarHBondContact O-N 3.1Å; N224-V227 PolarHBondContact OD1-N 3.14Å; N224-V227 VanDerWaalsContact OD1-N 3.17Å; N224-W228 CarbonylContact O-C 3.59Å; N224-W228 PolarHBondContact O-N 3.24Å; N224-W228 VanDerWaalsContact O-O 3.14Å | ||
| 225 | N | 97.9 | Very high | 96.9 | Very high | 64 Ų | 64 | 59.3 Ų | 59.3 | 34% | 0.342 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -12.3 | -179.6 | -73.9 | -27.3 | 0 | 0 | 0 | 115 | W228 E230 V231 E232 | N225-W228 WeakPolarHBondContact CA-O 3.32Å; N225-E230 WeakPolarHBondContact OD1-CA 3.12Å; N225-E230 PolarHBondContact OD1-N 3.29Å; N225-E230 VanDerWaalsContact OD1-N 3.16Å; N225-V231 PolarHBondContact OD1-N 3.12Å; N225-E232 PolarHBondContact N-OE1 2.76Å; N225-E232 PolarHBondContact ND2-OE2 2.86Å; N225-E232 PolarHBondContact OD1-N 2.64Å |
| 226 | E | 96.6 | Very high | 96.8 | Very high | 164 Ų | 164 | 57.7 Ų | 57.7 | 77% | 0.766 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -45.6 | 175.9 | -54.3 | 175.4 | 153.7 | 0 | 0 | 111.4 | N224 | N224-E226 PolarHBondContact ND2-OE2 2.99Å; N224-E226 PolarHBondContact O-N 3.19Å; N224-E226 VanDerWaalsContact O-N 3.08Å; N224-E226 VanDerWaalsContact OD1-CB 3.3Å; N224-E226 WeakPolarHBondContact OD1-CB 3.29Å; N224-E226 PolarHBondContact OD1-N 3.23Å |
| 227 | V | 96.6 | Very high | 96.8 | Very high | 70 Ų | 70 | 58.3 Ų | 58.3 | 42% | 0.424 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -29.5 | -179.5 | -60.1 | 0 | 0 | 0 | 0 | 112.6 | P223 N224 | P223-V227 HydrophobicContact CB-CG2 4.07Å; N224-V227 PolarHBondContact O-N 3.1Å; N224-V227 PolarHBondContact OD1-N 3.14Å; N224-V227 VanDerWaalsContact OD1-N 3.17Å |
| 228 | W | 97.6 | Very high | 96.8 | Very high | 16 Ų | 16 | 63.1 Ų | 63.1 | 6% | 0.061 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -140.2 | 96.5 | 178 | -178.9 | -1.7 | 0 | 0 | 0 | 109.5 | P172 E173 L176 P223 N224 N225 E230 V231 L234 Y270 D271 P272 | P172-W228 HydrophobicContact CB-CH2 4.36Å; P172-W228 HydrophobicContact CB-CZ3 3.99Å; P172-W228 HydrophobicContact CG-CH2 4.43Å; P172-W228 HydrophobicContact CG-CZ3 4.12Å; E173-W228 HydrophobicContact CB-CH2 3.71Å; E173-W228 HydrophobicContact CB-CZ2 3.75Å; L176-W228 HydrophobicContact CD1-CH2 3.95Å; L176-W228 HydrophobicContact CD1-CZ3 3.75Å; P223-W228 HydrophobicContact CB-CE3 4.2Å; P223-W228 HydrophobicContact CG-CE3 4.48Å; N224-W228 CarbonylContact O-C 3.59Å; N224-W228 PolarHBondContact O-N 3.24Å; N224-W228 VanDerWaalsContact O-O 3.14Å; N225-W228 WeakPolarHBondContact CA-O 3.32Å; W228-E230 PolarHBondContact O-N 3.1Å; W228-V231 HydrophobicContact CB-CB 4.02Å; W228-V231 HydrophobicContact CB-CG1 4.3Å; W228-V231 HydrophobicContact CD2-CB 3.73Å; W228-V231 HydrophobicContact CD2-CG2 3.67Å; W228-V231 HydrophobicContact CE3-CB 3.97Å; W228-V231 HydrophobicContact CE3-CG2 3.39Å; W228-V231 HydrophobicContact CG-CB 3.77Å; W228-V231 HydrophobicContact CG-CG2 4.23Å; W228-V231 HydrophobicContact CH2-CG2 4.25Å; W228-V231 HydrophobicContact CZ2-CG2 4.49Å; W228-V231 HydrophobicContact CZ3-CG2 3.71Å; W228-V231 WeakPolarHBondContact O-CB 3.36Å; W228-V231 VanDerWaalsContact O-CG1 3.25Å; W228-V231 WeakPolarHBondContact O-CG1 3.46Å; W228-V231 PolarHBondContact O-N 3.43Å; W228-L234 HydrophobicContact CH2-CD1 3.77Å; W228-L234 HydrophobicContact CZ2-CD1 3.66Å; W228-Y270 AromaticContact CE3-CD1 3.98Å; W228-Y270 HydrophobicContact CE3-CD1 3.98Å; W228-Y270 HydrophobicContact CE3-CG 4.21Å; W228-Y270 HydrophobicContact CZ3-CD1 4.13Å; W228-D271 HydrophobicContact CB-CB 4.37Å; W228-D271 HydrophobicContact CG-CB 4.25Å; W228-P272 HydrophobicContact CZ2-CG 4.21Å |
| 229 | P | 97.3 | Very high | 96.7 | Very high | 62 Ų | 62 | 60.9 Ų | 60.9 | 40% | 0.403 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | 136.9 | 177.5 | -26.2 | 35.5 | 0 | 0 | 0 | 111.9 | V231 D271 | P229-V231 PolarHBondContact O-N 2.73Å; P229-D271 WeakPolarHBondContact CD-OD2 3.4Å |
| 230 | E | 95.6 | Very high | 96.7 | Very high | 151 Ų | 151 | 66.9 Ų | 66.9 | 71% | 0.706 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.7 | 4.9 | 179.3 | -50.8 | -179.9 | 167.6 | 0 | 0 | 116 | N225 W228 E232 S233 | N225-E230 WeakPolarHBondContact OD1-CA 3.12Å; N225-E230 PolarHBondContact OD1-N 3.29Å; N225-E230 VanDerWaalsContact OD1-N 3.16Å; W228-E230 PolarHBondContact O-N 3.1Å; E230-E232 PolarHBondContact O-N 2.86Å; E230-S233 WeakPolarHBondContact O-CB 3.42Å; E230-S233 PolarHBondContact O-N 2.96Å |
| 231 | V | 97.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 35% | 0.351 | C | S | . | . | G | 310 helix | trans | -57.6 | -34.3 | 177.6 | 70.9 | 0 | 0 | 0 | 0 | 112.3 | L176 P223 N225 W228 P229 S233 L234 Y237 | L176-V231 HydrophobicContact CD1-CG2 3.86Å; P223-V231 HydrophobicContact CB-CG1 4.48Å; P223-V231 HydrophobicContact CB-CG2 4.3Å; P223-V231 HydrophobicContact CG-CG2 4.24Å; N225-V231 PolarHBondContact OD1-N 3.12Å; W228-V231 HydrophobicContact CB-CB 4.02Å; W228-V231 HydrophobicContact CB-CG1 4.3Å; W228-V231 HydrophobicContact CD2-CB 3.73Å; W228-V231 HydrophobicContact CD2-CG2 3.67Å; W228-V231 HydrophobicContact CE3-CB 3.97Å; W228-V231 HydrophobicContact CE3-CG2 3.39Å; W228-V231 HydrophobicContact CG-CB 3.77Å; W228-V231 HydrophobicContact CG-CG2 4.23Å; W228-V231 HydrophobicContact CH2-CG2 4.25Å; W228-V231 HydrophobicContact CZ2-CG2 4.49Å; W228-V231 HydrophobicContact CZ3-CG2 3.71Å; W228-V231 WeakPolarHBondContact O-CB 3.36Å; W228-V231 VanDerWaalsContact O-CG1 3.25Å; W228-V231 WeakPolarHBondContact O-CG1 3.46Å; W228-V231 PolarHBondContact O-N 3.43Å; P229-V231 PolarHBondContact O-N 2.73Å; V231-S233 PolarHBondContact O-N 3.3Å; V231-L234 HydrophobicContact CG2-CD1 4.11Å; V231-L234 WeakPolarHBondContact O-CB 3.42Å; V231-L234 PolarHBondContact O-N 3.03Å; V231-Y237 HydrophobicContact CG1-CE2 4.4Å; V231-Y237 HydrophobicContact CG2-CD2 4.05Å; V231-Y237 HydrophobicContact CG2-CE2 4.34Å; V231-Y237 WeakPolarHBondContact O-CB 3.34Å |
| 232 | E | 97.1 | Very high | 96.7 | Very high | 79 Ų | 79 | 69 Ų | 69 | 37% | 0.369 | 37% | 0.367 | S | S | . | . | G | 310 helix | trans | -70.9 | -14 | -179.1 | -60.5 | 178.4 | -160.9 | 0 | 0 | 113.2 | N225 E230 Y237 | N225-E232 PolarHBondContact N-OE1 2.76Å; N225-E232 PolarHBondContact ND2-OE2 2.86Å; N225-E232 PolarHBondContact OD1-N 2.64Å; E230-E232 PolarHBondContact O-N 2.86Å; E232-Y237 HydrophobicContact CB-CD1 4.11Å; E232-Y237 HydrophobicContact CB-CE1 3.92Å; E232-Y237 HydrophobicContact CG-CD1 4.27Å; E232-Y237 HydrophobicContact CG-CE1 3.62Å |
| 233 | S | 95.9 | Very high | 96.6 | Very high | 103 Ų | 103 | 74.4 Ų | 74.4 | 72% | 0.72 | 39% | 0.388 | S | S | * | . | G | 310 helix | trans | -94.7 | -2.8 | 176.7 | -59.5 | 0 | 0 | 0 | 0 | 113.4 | E230 V231 | E230-S233 WeakPolarHBondContact O-CB 3.42Å; E230-S233 PolarHBondContact O-N 2.96Å; V231-S233 PolarHBondContact O-N 3.3Å |
| 234 | L | 95.3 | Very high | 96.6 | Very high | 33 Ų | 33 | 77.9 Ų | 77.9 | 17% | 0.173 | 40% | 0.401 | C | S | . | . | S | Bend | trans | -68.9 | 145.4 | 176 | -65 | 179.4 | 0 | 0 | 0 | 111.2 | L176 W228 V231 D236 Y237 | L176-L234 HydrophobicContact CB-CB 4.15Å; L176-L234 HydrophobicContact CB-CD1 3.7Å; L176-L234 HydrophobicContact CD1-CD1 3.94Å; L176-L234 HydrophobicContact CG-CD1 4.48Å; W228-L234 HydrophobicContact CH2-CD1 3.77Å; W228-L234 HydrophobicContact CZ2-CD1 3.66Å; V231-L234 HydrophobicContact CG2-CD1 4.11Å; V231-L234 WeakPolarHBondContact O-CB 3.42Å; V231-L234 PolarHBondContact O-N 3.03Å; L234-D236 VanDerWaalsContact C-N 3.27Å; L234-D236 PolarHBondContact O-N 3.39Å; L234-D236 VanDerWaalsContact O-N 3.14Å; L234-Y237 PolarHBondContact O-N 3.4Å; L234-Y237 VanDerWaalsContact O-N 3.1Å |
| 235 | Q | 94.7 | Very high | 96.5 | Very high | 144 Ų | 144 | 84.3 Ų | 84.3 | 67% | 0.673 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.6 | -46.2 | -171.1 | -174.9 | -173.9 | -60.8 | 0 | 0 | 113.1 | ||
| 236 | D | 95.4 | Very high | 96 | Very high | 64 Ų | 64 | 86.2 Ų | 86.2 | 34% | 0.342 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.7 | 6.2 | -171.9 | -56.4 | -47.4 | 0 | 0 | 0 | 112.8 | L176 G177 L234 F241 | L176-D236 PolarHBondContact O-N 2.79Å; L176-D236 VanDerWaalsContact O-N 3.1Å; G177-D236 WeakPolarHBondContact CA-OD2 3.5Å; L234-D236 VanDerWaalsContact C-N 3.27Å; L234-D236 PolarHBondContact O-N 3.39Å; L234-D236 VanDerWaalsContact O-N 3.14Å; D236-F241 WeakPolarHBondContact O-CZ 3.5Å |
| 237 | Y | 97.4 | Very high | 95.5 | Very high | 14 Ų | 14 | 80 Ų | 80 | 6% | 0.055 | 42% | 0.423 | C | S | . | . | trans | -68.6 | 139.9 | 172 | -174.5 | -88.7 | 0 | 0 | 0 | 111.2 | L176 P223 V231 E232 L234 N239 F241 | L176-Y237 HydrophobicContact CD2-CD2 4.47Å; P223-Y237 PolarHBondContact O-OH 3.32Å; V231-Y237 HydrophobicContact CG1-CE2 4.4Å; V231-Y237 HydrophobicContact CG2-CD2 4.05Å; V231-Y237 HydrophobicContact CG2-CE2 4.34Å; V231-Y237 WeakPolarHBondContact O-CB 3.34Å; E232-Y237 HydrophobicContact CB-CD1 4.11Å; E232-Y237 HydrophobicContact CB-CE1 3.92Å; E232-Y237 HydrophobicContact CG-CD1 4.27Å; E232-Y237 HydrophobicContact CG-CE1 3.62Å; L234-Y237 PolarHBondContact O-N 3.4Å; L234-Y237 VanDerWaalsContact O-N 3.1Å; Y237-N239 WeakPolarHBondContact CE1-OD1 3.41Å; Y237-F241 HydrophobicContact CD2-CD2 4.21Å; Y237-F241 HydrophobicContact CD2-CE2 4.08Å; Y237-F241 HydrophobicContact CE2-CD2 4.23Å; Y237-F241 HydrophobicContact CG-CE2 4.39Å | ||
| 238 | K | 96.9 | Very high | 95.1 | Very high | 100 Ų | 100 | 80.1 Ų | 80.1 | 44% | 0.435 | 43% | 0.427 | S | S | . | . | trans | -131.8 | 129.9 | 176.5 | -52.2 | -64.9 | 165.1 | -149.8 | 0 | 110.7 | T240 F241 | K238-T240 PolarHBondContact O-N 3.41Å; K238-T240 VanDerWaalsContact O-N 3.1Å; K238-F241 HydrophobicContact CB-CD1 3.98Å; K238-F241 HydrophobicContact CB-CD2 4.4Å; K238-F241 HydrophobicContact CB-CE1 3.78Å; K238-F241 HydrophobicContact CB-CE2 4.25Å; K238-F241 HydrophobicContact CB-CG 4.28Å; K238-F241 HydrophobicContact CB-CZ 3.93Å; K238-F241 HydrophobicContact CG-CE1 3.85Å; K238-F241 HydrophobicContact CG-CZ 3.89Å; K238-F241 WeakPolarHBondContact O-CB 3.41Å; K238-F241 WeakPolarHBondContact O-CD2 3.45Å; K238-F241 VanDerWaalsContact O-CG 3.26Å; K238-F241 WeakPolarHBondContact O-CG 3.48Å; K238-F241 PolarHBondContact O-N 3.22Å | ||
| 239 | N | 93.6 | Very high | 94.7 | Very high | 117 Ų | 117 | 80.9 Ų | 80.9 | 63% | 0.626 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -25.3 | 174.3 | -71.1 | -18.7 | 0 | 0 | 0 | 112.8 | Y237 F241 K243 | Y237-N239 WeakPolarHBondContact CE1-OD1 3.41Å; N239-F241 VanDerWaalsContact C-N 3.29Å; N239-F241 PolarHBondContact O-N 3.4Å; N239-K243 WeakPolarHBondContact O-CE 3.47Å; N239-K243 PolarHBondContact O-NZ 2.66Å |
| 240 | T | 96.7 | Very high | 94.4 | Very high | 130 Ų | 130 | 80.2 Ų | 80.2 | 80% | 0.798 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -1.7 | 179 | 52.4 | 0 | 0 | 0 | 0 | 114.5 | K238 | K238-T240 PolarHBondContact O-N 3.41Å; K238-T240 VanDerWaalsContact O-N 3.1Å |
| 241 | F | 97.6 | Very high | 94.2 | Very high | 17 Ų | 17 | 77 Ų | 77 | 8% | 0.075 | 43% | 0.426 | C | S | . | . | S | Bend | trans | -57.3 | 140.2 | 173.1 | -68.9 | -31.7 | 0 | 0 | 0 | 111.1 | L176 I210 F214 F217 T222 D236 Y237 K238 N239 K243 | L176-F241 HydrophobicContact CD2-CE2 3.99Å; L176-F241 HydrophobicContact CD2-CZ 4.44Å; I210-F241 HydrophobicContact CD1-CD1 4.41Å; I210-F241 HydrophobicContact CD1-CE1 3.72Å; I210-F241 HydrophobicContact CD1-CZ 4.36Å; F214-F241 AromaticContact CE1-CD1 3.8Å; F214-F241 HydrophobicContact CE1-CD1 3.8Å; F214-F241 HydrophobicContact CE1-CE1 4.28Å; F214-F241 HydrophobicContact CE1-CG 4.41Å; F214-F241 HydrophobicContact CZ-CD1 4.31Å; F217-F241 HydrophobicContact CE2-CB 4.5Å; F217-F241 AromaticContact CE2-CD2 3.87Å; F217-F241 HydrophobicContact CE2-CD2 3.87Å; F217-F241 HydrophobicContact CE2-CE2 4.25Å; F217-F241 HydrophobicContact CE2-CG 4.22Å; F217-F241 HydrophobicContact CZ-CD2 4.43Å; T222-F241 HydrophobicContact CG2-CB 4.38Å; D236-F241 WeakPolarHBondContact O-CZ 3.5Å; Y237-F241 HydrophobicContact CD2-CD2 4.21Å; Y237-F241 HydrophobicContact CD2-CE2 4.08Å; Y237-F241 HydrophobicContact CE2-CD2 4.23Å; Y237-F241 HydrophobicContact CG-CE2 4.39Å; K238-F241 HydrophobicContact CB-CD1 3.98Å; K238-F241 HydrophobicContact CB-CD2 4.4Å; K238-F241 HydrophobicContact CB-CE1 3.78Å; K238-F241 HydrophobicContact CB-CE2 4.25Å; K238-F241 HydrophobicContact CB-CG 4.28Å; K238-F241 HydrophobicContact CB-CZ 3.93Å; K238-F241 HydrophobicContact CG-CE1 3.85Å; K238-F241 HydrophobicContact CG-CZ 3.89Å; K238-F241 WeakPolarHBondContact O-CB 3.41Å; K238-F241 WeakPolarHBondContact O-CD2 3.45Å; K238-F241 VanDerWaalsContact O-CG 3.26Å; K238-F241 WeakPolarHBondContact O-CG 3.48Å; K238-F241 PolarHBondContact O-N 3.22Å; N239-F241 VanDerWaalsContact C-N 3.29Å; N239-F241 PolarHBondContact O-N 3.4Å; F241-K243 WeakPolarHBondContact O-CD 3.15Å; F241-K243 WeakPolarHBondContact O-CE 3.42Å; F241-K243 PolarHBondContact O-N 3.33Å |
| 242 | P | 97.4 | Very high | 93.8 | Very high | 55 Ų | 55 | 81 Ų | 81 | 36% | 0.357 | 44% | 0.444 | S | S | . | . | trans | -57.4 | 143.5 | 176.3 | -19.5 | 30.7 | 0 | 0 | 0 | 110.5 | F214 T222 W244 | F214-P242 HydrophobicContact CZ-CG 4.42Å; T222-P242 WeakPolarHBondContact CG2-O 3.4Å; T222-P242 PolarHBondContact OG1-O 3.16Å; P242-W244 HydrophobicContact CB-CD2 4.28Å; P242-W244 HydrophobicContact CB-CE3 3.99Å; P242-W244 HydrophobicContact CB-CH2 3.45Å; P242-W244 VanDerWaalsContact CB-CH2 3.45Å; P242-W244 HydrophobicContact CB-CZ2 3.69Å; P242-W244 HydrophobicContact CB-CZ3 3.58Å; P242-W244 HydrophobicContact CG-CH2 3.48Å; P242-W244 VanDerWaalsContact CG-CH2 3.48Å; P242-W244 HydrophobicContact CG-CZ2 4.06Å; P242-W244 HydrophobicContact CG-CZ3 3.84Å | ||
| 243 | K | 97.1 | Very high | 93.6 | Very high | 131 Ų | 131 | 77.4 Ų | 77.4 | 57% | 0.57 | 43% | 0.428 | S | S | * | . | trans | -99.1 | 96.3 | -175.6 | -55.6 | -57.1 | 179.7 | -173.5 | 0 | 109.8 | T222 N239 F241 | T222-K243 HydrophobicContact CG2-CD 4.19Å; N239-K243 WeakPolarHBondContact O-CE 3.47Å; N239-K243 PolarHBondContact O-NZ 2.66Å; F241-K243 WeakPolarHBondContact O-CD 3.15Å; F241-K243 WeakPolarHBondContact O-CE 3.42Å; F241-K243 PolarHBondContact O-N 3.33Å | ||
| 244 | W | 97.5 | Very high | 93.4 | Very high | 75 Ų | 75 | 79.6 Ų | 79.6 | 28% | 0.284 | 42% | 0.424 | S | S | . | . | P | Polyproline II helix | trans | -91.5 | 141.9 | 172.4 | -68.3 | -76.3 | 0 | 0 | 0 | 110.3 | F214 F217 R218 G221 T222 P242 | F214-W244 HydrophobicContact CB-CH2 3.9Å; F214-W244 HydrophobicContact CB-CZ3 4.19Å; F214-W244 HydrophobicContact CD1-CH2 4.02Å; F214-W244 AromaticContact CD1-CZ3 3.88Å; F214-W244 HydrophobicContact CD1-CZ3 3.88Å; F214-W244 HydrophobicContact CD2-CH2 4.29Å; F214-W244 AromaticContact CG-CH2 3.82Å; F214-W244 HydrophobicContact CG-CH2 3.82Å; F214-W244 HydrophobicContact CG-CZ3 4.11Å; F217-W244 HydrophobicContact CB-CE3 3.53Å; F217-W244 HydrophobicContact CB-CZ3 3.92Å; F217-W244 HydrophobicContact CD2-CE3 4.4Å; F217-W244 HydrophobicContact CD2-CZ3 4.16Å; F217-W244 WeakPolarHBondContact O-CB 3.46Å; R218-W244 HydrophobicContact CG-CD2 3.67Å; R218-W244 HydrophobicContact CG-CE3 4.27Å; R218-W244 HydrophobicContact CG-CG 3.98Å; R218-W244 HydrophobicContact CG-CH2 4.26Å; R218-W244 HydrophobicContact CG-CZ2 3.71Å; G221-W244 CarbonylContact C-O 3.59Å; G221-W244 VanDerWaalsContact CA-O 3.31Å; G221-W244 WeakPolarHBondContact CA-O 3.25Å; T222-W244 PolarHBondContact N-O 3.16Å; T222-W244 PolarHBondContact OG1-N 2.92Å; P242-W244 HydrophobicContact CB-CD2 4.28Å; P242-W244 HydrophobicContact CB-CE3 3.99Å; P242-W244 HydrophobicContact CB-CH2 3.45Å; P242-W244 VanDerWaalsContact CB-CH2 3.45Å; P242-W244 HydrophobicContact CB-CZ2 3.69Å; P242-W244 HydrophobicContact CB-CZ3 3.58Å; P242-W244 HydrophobicContact CG-CH2 3.48Å; P242-W244 VanDerWaalsContact CG-CH2 3.48Å; P242-W244 HydrophobicContact CG-CZ2 4.06Å; P242-W244 HydrophobicContact CG-CZ3 3.84Å |
| 245 | K | 94.6 | Very high | 93.3 | Very high | 182 Ų | 182 | 82.1 Ų | 82.1 | 79% | 0.791 | 44% | 0.438 | S | S | * | . | P | Polyproline II helix | trans | -78.4 | 150.2 | 170.2 | -66.7 | -173 | 178.4 | -176.4 | 0 | 109.6 | G247 | K245-G247 PolarHBondContact O-N 3.12Å; K245-G247 VanDerWaalsContact O-N 3.16Å |
| 246 | P | 89.2 | Confident | 93.4 | Very high | 103 Ų | 103 | 76.4 Ų | 76.4 | 67% | 0.669 | 41% | 0.412 | S | S | * | . | P | Polyproline II helix | trans | -54.2 | 121.2 | 172.1 | -25.3 | 34.6 | 0 | 0 | 0 | 111.3 | ||
| 247 | G | 85.1 | Confident | 93.4 | Very high | 34 Ų | 34 | 77 Ų | 77 | 35% | 0.351 | 42% | 0.415 | S | S | . | . | P | Polyproline II helix | trans | -82.7 | 169.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | A219 K245 | A219-G247 WeakPolarHBondContact O-CA 3.42Å; A219-G247 PolarHBondContact O-N 3.27Å; A219-G247 VanDerWaalsContact O-N 3.09Å; K245-G247 PolarHBondContact O-N 3.12Å; K245-G247 VanDerWaalsContact O-N 3.16Å |
| 248 | S | 89 | Confident | 93.4 | Very high | 73 Ų | 73 | 84.4 Ų | 84.4 | 51% | 0.51 | 45% | 0.45 | S | S | . | . | P | Polyproline II helix | trans | -80.8 | 125.3 | 168.6 | 179.9 | 0 | 0 | 0 | 0 | 109.6 | A250 S251 H252 | S248-A250 PolarHBondContact O-N 2.75Å; S248-A250 WeakPolarHBondContact OG-CB 3.26Å; S248-A250 PolarHBondContact OG-N 3.01Å; S248-S251 PolarHBondContact O-N 3.36Å; S248-S251 VanDerWaalsContact O-N 3.13Å; S248-S251 PolarHBondContact O-OG 2.77Å; S248-H252 PolarHBondContact O-ND1 3.44Å; S248-H252 VanDerWaalsContact O-ND1 3.12Å |
| 249 | L | 89.3 | Confident | 93.5 | Very high | 31 Ų | 31 | 82.8 Ų | 82.8 | 16% | 0.162 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -58.6 | -30.9 | 171.5 | -86 | 92.1 | 0 | 0 | 0 | 111.6 | L220 S251 H252 V253 L264 L268 | L220-L249 HydrophobicContact CD2-CD1 3.5Å; L220-L249 HydrophobicContact CD2-CD2 4.37Å; L220-L249 HydrophobicContact CD2-CG 3.93Å; L249-S251 PolarHBondContact O-N 3.4Å; L249-H252 PolarHBondContact O-N 3.46Å; L249-V253 PolarHBondContact O-N 3.24Å; L249-L264 HydrophobicContact CD2-CD2 3.78Å; L249-L264 HydrophobicContact CD2-CG 3.72Å; L249-L268 HydrophobicContact CD2-CD1 3.86Å |
| 250 | A | 90.2 | Very high | 93.7 | Very high | 49 Ų | 49 | 77.2 Ų | 77.2 | 41% | 0.405 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -60.7 | -26.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | S248 H252 L261 | S248-A250 PolarHBondContact O-N 2.75Å; S248-A250 WeakPolarHBondContact OG-CB 3.26Å; S248-A250 PolarHBondContact OG-N 3.01Å; A250-H252 VanDerWaalsContact C-N 3.3Å; A250-L261 HydrophobicContact CB-CD1 3.79Å; A250-L261 HydrophobicContact CB-CD2 4.28Å |
| 251 | S | 90.8 | Very high | 93.8 | Very high | 82 Ų | 82 | 72.9 Ų | 72.9 | 57% | 0.573 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -75.3 | -21.6 | 175.3 | 70.4 | 0 | 0 | 0 | 0 | 113 | S248 L249 | S248-S251 PolarHBondContact O-N 3.36Å; S248-S251 VanDerWaalsContact O-N 3.13Å; S248-S251 PolarHBondContact O-OG 2.77Å; L249-S251 PolarHBondContact O-N 3.4Å |
| 252 | H | 90.4 | Very high | 93.8 | Very high | 85 Ų | 85 | 75 Ų | 75 | 39% | 0.394 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -97.6 | -32.9 | -178.4 | -62.1 | 85.8 | 0 | 0 | 0 | 111.9 | L203 S248 L249 A250 | L203-H252 HydrophobicContact CD1-CB 4.09Å; S248-H252 PolarHBondContact O-ND1 3.44Å; S248-H252 VanDerWaalsContact O-ND1 3.12Å; L249-H252 PolarHBondContact O-N 3.46Å; A250-H252 VanDerWaalsContact C-N 3.3Å |
| 253 | V | 92.7 | Very high | 93.9 | Very high | 3 Ų | 3 | 72.3 Ų | 72.3 | 2% | 0.018 | 38% | 0.383 | C | S | . | . | trans | -118.1 | 99.9 | -174.4 | -170.3 | 0 | 0 | 0 | 0 | 109.7 | A195 A198 T199 L203 L249 L256 L261 L264 | A195-V253 HydrophobicContact CB-CG1 4.22Å; A195-V253 HydrophobicContact CB-CG2 3.75Å; A198-V253 HydrophobicContact CB-CG1 4.16Å; T199-V253 HydrophobicContact CG2-CB 4.41Å; T199-V253 HydrophobicContact CG2-CG1 3.93Å; L203-V253 HydrophobicContact CD1-CG2 3.77Å; L249-V253 PolarHBondContact O-N 3.24Å; V253-L256 HydrophobicContact CB-CD1 4.5Å; V253-L256 HydrophobicContact CG1-CD1 3.5Å; V253-L256 HydrophobicContact CG1-CG 3.89Å; V253-L261 HydrophobicContact CB-CD2 4.47Å; V253-L264 HydrophobicContact CB-CD2 4.2Å; V253-L264 HydrophobicContact CG1-CD2 4.15Å; V253-L264 HydrophobicContact CG2-CD2 3.82Å | ||
| 254 | K | 90.8 | Very high | 94 | Very high | 149 Ų | 149 | 66.1 Ų | 66.1 | 65% | 0.648 | 36% | 0.356 | S | S | * | . | trans | -81.1 | 168.7 | 170.2 | -59.2 | -173.2 | -178.8 | -175.3 | 0 | 109.5 | L256 | K254-L256 PolarHBondContact O-N 3.09Š| ||
| 255 | N | 93.9 | Very high | 94 | Very high | 87 Ų | 87 | 64.7 Ų | 64.7 | 47% | 0.465 | 36% | 0.357 | S | S | . | . | S | Bend | trans | 67.3 | 19.4 | 174.2 | -50.9 | 85.6 | 0 | 0 | 0 | 115 | ||
| 256 | L | 95.6 | Very high | 94.2 | Very high | 24 Ų | 24 | 59.1 Ų | 59.1 | 13% | 0.126 | 33% | 0.333 | C | S | . | . | trans | -112.3 | 142.4 | 165.8 | -69.8 | -176.3 | 0 | 0 | 0 | 110.4 | F194 A198 V253 K254 L261 L264 | F194-L256 HydrophobicContact CD2-CD2 4.42Å; F194-L256 HydrophobicContact CE1-CD1 4.15Å; F194-L256 HydrophobicContact CE2-CD1 4.29Å; F194-L256 HydrophobicContact CE2-CD2 3.46Å; F194-L256 VanDerWaalsContact CE2-CD2 3.46Å; F194-L256 HydrophobicContact CZ-CD1 3.93Å; F194-L256 HydrophobicContact CZ-CD2 3.52Å; F194-L256 HydrophobicContact CZ-CG 4.4Å; A198-L256 HydrophobicContact CB-CD2 3.89Å; A198-L256 HydrophobicContact CB-CG 3.9Å; V253-L256 HydrophobicContact CB-CD1 4.5Å; V253-L256 HydrophobicContact CG1-CD1 3.5Å; V253-L256 HydrophobicContact CG1-CG 3.89Å; K254-L256 PolarHBondContact O-N 3.09Å; L256-L261 HydrophobicContact CB-CD2 4.19Å; L256-L261 HydrophobicContact CB-CG 3.97Å; L256-L261 HydrophobicContact CD1-CD2 4.32Å; L256-L264 HydrophobicContact CD1-CB 4.5Å; L256-L264 HydrophobicContact CD1-CD2 3.94Å | ||
| 257 | D | 96.1 | Very high | 94.6 | Very high | 76 Ų | 76 | 54.2 Ų | 54.2 | 41% | 0.406 | 30% | 0.301 | S | S | . | . | trans | -78.5 | 178.9 | 168.3 | 65.6 | 17.6 | 0 | 0 | 0 | 111 | N259 G260 L261 Y286 | D257-N259 VanDerWaalsContact C-N 3.33Å; D257-N259 PolarHBondContact O-N 3.26Å; D257-N259 PolarHBondContact OD1-N 3.03Å; D257-G260 PolarHBondContact O-N 3.28Å; D257-G260 PolarHBondContact OD1-N 2.78Å; D257-L261 WeakPolarHBondContact O-CG 3.46Å; D257-L261 PolarHBondContact O-N 2.96Å; D257-Y286 WeakPolarHBondContact OD1-CD2 3.49Å | ||
| 258 | E | 97.1 | Very high | 95.3 | Very high | 169 Ų | 169 | 52.8 Ų | 52.8 | 79% | 0.79 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -59.1 | -42.5 | -179 | -172.4 | 177.4 | 176.9 | 0 | 0 | 112.3 | G260 L261 D262 | E258-G260 VanDerWaalsContact C-N 3.34Å; E258-G260 PolarHBondContact O-N 2.95Å; E258-L261 PolarHBondContact O-N 3.47Å; E258-D262 VanDerWaalsContact O-CB 3.26Å; E258-D262 WeakPolarHBondContact O-CB 3.3Å; E258-D262 PolarHBondContact O-N 2.71Å |
| 259 | N | 98.3 | Very high | 95.7 | Very high | 67 Ų | 67 | 52 Ų | 52 | 36% | 0.358 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -67 | -35 | 178.5 | -74.1 | -49.4 | 0 | 0 | 0 | 112.4 | D257 L263 H284 Y286 | D257-N259 VanDerWaalsContact C-N 3.33Å; D257-N259 PolarHBondContact O-N 3.26Å; D257-N259 PolarHBondContact OD1-N 3.03Å; N259-L263 WeakPolarHBondContact O-CB 3.49Å; N259-L263 PolarHBondContact O-N 3.08Å; N259-H284 PolarHBondContact O-CE1 3.17Å; N259-H284 VanDerWaalsContact O-CE1 3.26Å; N259-Y286 HydrophobicContact CB-CD2 4.07Å |
| 260 | G | 98.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -69.1 | -44.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | F194 D257 E258 L263 L264 Y286 | F194-G260 WeakPolarHBondContact CE1-O 3.48Å; D257-G260 PolarHBondContact O-N 3.28Å; D257-G260 PolarHBondContact OD1-N 2.78Å; E258-G260 VanDerWaalsContact C-N 3.34Å; E258-G260 PolarHBondContact O-N 2.95Å; G260-L263 PolarHBondContact O-N 3.05Å; G260-L264 VanDerWaalsContact O-CB 3.26Å; G260-L264 WeakPolarHBondContact O-CB 3.33Å; G260-L264 PolarHBondContact O-N 3.28Å; G260-Y286 VanDerWaalsContact CA-CD2 3.42Å; G260-Y286 VanDerWaalsContact N-CD2 3.34Å |
| 261 | L | 98.3 | Very high | 96.5 | Very high | 39 Ų | 39 | 49.8 Ų | 49.8 | 20% | 0.204 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.8 | -41.3 | 174.8 | -72.8 | 169.5 | 0 | 0 | 0 | 111.9 | A250 V253 L256 D257 E258 L264 S265 | A250-L261 HydrophobicContact CB-CD1 3.79Å; A250-L261 HydrophobicContact CB-CD2 4.28Å; V253-L261 HydrophobicContact CB-CD2 4.47Å; L256-L261 HydrophobicContact CB-CD2 4.19Å; L256-L261 HydrophobicContact CB-CG 3.97Å; L256-L261 HydrophobicContact CD1-CD2 4.32Å; D257-L261 WeakPolarHBondContact O-CG 3.46Å; D257-L261 PolarHBondContact O-N 2.96Å; E258-L261 PolarHBondContact O-N 3.47Å; L261-L264 PolarHBondContact O-N 3.29Å; L261-S265 WeakPolarHBondContact O-CB 3.44Å; L261-S265 PolarHBondContact O-N 3.46Å |
| 262 | D | 98.6 | Very high | 96.8 | Very high | 60 Ų | 60 | 47.4 Ų | 47.4 | 32% | 0.321 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -61.6 | -49.2 | 175.6 | 178.3 | 43.3 | 0 | 0 | 0 | 111.3 | E258 L264 S265 K266 H284 | E258-D262 VanDerWaalsContact O-CB 3.26Å; E258-D262 WeakPolarHBondContact O-CB 3.3Å; E258-D262 PolarHBondContact O-N 2.71Å; D262-L264 PolarHBondContact O-N 3.26Å; D262-S265 PolarHBondContact O-N 3.22Å; D262-S265 PolarHBondContact O-OG 2.89Å; D262-K266 WeakPolarHBondContact O-CG 3.28Å; D262-K266 PolarHBondContact O-N 3.37Å; D262-K266 VanDerWaalsContact O-N 3.16Å; D262-K266 IonicContact OD1-NZ 2.72Å; D262-K266 PolarHBondContact OD1-NZ 3.09Å; D262-K266 IonicContact OD2-NZ 2.66Å; D262-K266 PolarHBondContact OD2-NZ 3.18Å; D262-H284 IonicContact OD2-CE1 2.62Å; D262-H284 PolarHBondContact OD2-CE1 2.89Å; D262-H284 IonicContact OD2-NE2 2.68Å; D262-H284 PolarHBondContact OD2-NE2 3.38Å |
| 263 | L | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -58.6 | -47 | 175.1 | -179.6 | 54.8 | 0 | 0 | 0 | 112.1 | L109 F194 N259 G260 S265 K266 M267 I276 A281 H284 Y286 F287 | L109-L263 HydrophobicContact CD2-CD2 3.9Å; F194-L263 HydrophobicContact CE1-CB 4.47Å; F194-L263 HydrophobicContact CE1-CD2 4.41Å; F194-L263 HydrophobicContact CE1-CG 4.48Å; N259-L263 WeakPolarHBondContact O-CB 3.49Å; N259-L263 PolarHBondContact O-N 3.08Å; G260-L263 PolarHBondContact O-N 3.05Å; L263-S265 VanDerWaalsContact C-N 3.33Å; L263-S265 PolarHBondContact O-N 3.35Å; L263-K266 PolarHBondContact O-N 3.22Å; L263-M267 HydrophobicContact CD1-CE 3.87Å; L263-M267 HydrophobicContact CD2-CE 4.09Å; L263-M267 HydrophobicContact CG-CE 3.85Å; L263-M267 HydrophobicContact CG-SD 4.49Å; L263-M267 WeakPolarHBondContact O-CG 3.3Å; L263-M267 PolarHBondContact O-N 3.31Å; L263-I276 HydrophobicContact CD1-CD1 4.14Å; L263-A281 HydrophobicContact CD1-CB 3.98Å; L263-H284 HydrophobicContact CD1-CB 3.9Å; L263-H284 HydrophobicContact CD2-CB 4.33Å; L263-Y286 HydrophobicContact CD2-CD1 3.83Å; L263-Y286 HydrophobicContact CD2-CG 4.27Å; L263-F287 HydrophobicContact CD2-CD2 4.49Å; L263-F287 HydrophobicContact CD2-CE2 3.59Å; L263-F287 HydrophobicContact CD2-CZ 3.76Å |
| 264 | L | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.3 | -43.7 | 179.6 | 177.9 | 62.3 | 0 | 0 | 0 | 111.4 | G191 F194 A195 L249 V253 L256 G260 L261 D262 K266 M267 L268 | G191-L264 WeakPolarHBondContact O-CD1 3.25Å; F194-L264 HydrophobicContact CB-CD1 4.4Å; F194-L264 HydrophobicContact CD1-CB 3.94Å; F194-L264 HydrophobicContact CD1-CD1 3.97Å; F194-L264 HydrophobicContact CD1-CG 4.47Å; F194-L264 HydrophobicContact CE1-CB 3.97Å; A195-L264 HydrophobicContact CB-CD1 4.39Å; A195-L264 HydrophobicContact CB-CD2 4.15Å; L249-L264 HydrophobicContact CD2-CD2 3.78Å; L249-L264 HydrophobicContact CD2-CG 3.72Å; V253-L264 HydrophobicContact CB-CD2 4.2Å; V253-L264 HydrophobicContact CG1-CD2 4.15Å; V253-L264 HydrophobicContact CG2-CD2 3.82Å; L256-L264 HydrophobicContact CD1-CB 4.5Å; L256-L264 HydrophobicContact CD1-CD2 3.94Å; G260-L264 VanDerWaalsContact O-CB 3.26Å; G260-L264 WeakPolarHBondContact O-CB 3.33Å; G260-L264 PolarHBondContact O-N 3.28Å; L261-L264 PolarHBondContact O-N 3.29Å; D262-L264 PolarHBondContact O-N 3.26Å; L264-K266 VanDerWaalsContact C-N 3.28Å; L264-K266 PolarHBondContact O-N 3.31Å; L264-M267 WeakPolarHBondContact O-CB 3.31Å; L264-M267 PolarHBondContact O-N 3.23Å; L264-M267 VanDerWaalsContact O-N 3.13Å; L264-L268 HydrophobicContact CD1-CD1 3.72Å; L264-L268 HydrophobicContact CD1-CG 4.13Å; L264-L268 HydrophobicContact CG-CD1 4.06Å; L264-L268 PolarHBondContact O-N 3.18Å; L264-L268 VanDerWaalsContact O-N 3.07Å |
| 265 | S | 98.3 | Very high | 97.7 | Very high | 45 Ų | 45 | 46.8 Ų | 46.8 | 32% | 0.315 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -59.8 | -39.9 | 177.9 | 78.3 | 0 | 0 | 0 | 0 | 111.7 | L261 D262 L263 M267 L268 I269 | L261-S265 WeakPolarHBondContact O-CB 3.44Å; L261-S265 PolarHBondContact O-N 3.46Å; D262-S265 PolarHBondContact O-N 3.22Å; D262-S265 PolarHBondContact O-OG 2.89Å; L263-S265 VanDerWaalsContact C-N 3.33Å; L263-S265 PolarHBondContact O-N 3.35Å; S265-M267 PolarHBondContact O-N 2.9Å; S265-L268 CarbonylContact O-C 3.55Å; S265-L268 PolarHBondContact O-N 3.03Å; S265-I269 PolarHBondContact O-N 3.2Å |
| 266 | K | 98.8 | Very high | 98 | Very high | 65 Ų | 65 | 43.3 Ų | 43.3 | 28% | 0.283 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -69.3 | -30.3 | 176.8 | -66.5 | -174.4 | 179.6 | 85.6 | 0 | 113.2 | D262 L263 L264 L268 I276 H284 | D262-K266 WeakPolarHBondContact O-CG 3.28Å; D262-K266 PolarHBondContact O-N 3.37Å; D262-K266 VanDerWaalsContact O-N 3.16Å; D262-K266 IonicContact OD1-NZ 2.72Å; D262-K266 PolarHBondContact OD1-NZ 3.09Å; D262-K266 IonicContact OD2-NZ 2.66Å; D262-K266 PolarHBondContact OD2-NZ 3.18Å; L263-K266 PolarHBondContact O-N 3.22Å; L264-K266 VanDerWaalsContact C-N 3.28Å; L264-K266 PolarHBondContact O-N 3.31Å; K266-L268 VanDerWaalsContact C-N 3.34Å; K266-I276 HydrophobicContact CB-CB 3.98Å; K266-I276 HydrophobicContact CB-CD1 4.28Å; K266-I276 HydrophobicContact CB-CG2 4.02Å; K266-I276 HydrophobicContact CD-CD1 4.01Å; K266-I276 WeakPolarHBondContact O-CG2 3.34Å; K266-I276 PolarHBondContact O-N 3.26Å; K266-I276 VanDerWaalsContact O-N 3.1Å; K266-H284 PolarHBondContact NZ-NE2 3.13Å |
| 267 | M | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -72.6 | -26.8 | 173 | -68.8 | -179.4 | 173.9 | 0 | 0 | 112.9 | L109 L113 I187 I190 F194 L263 L264 S265 R275 I276 A281 | L109-M267 HydrophobicContact CD1-CE 4.26Å; L109-M267 HydrophobicContact CD2-CE 4.44Å; L113-M267 HydrophobicContact CD1-CE 3.93Å; L113-M267 HydrophobicContact CD2-CE 3.99Å; L113-M267 HydrophobicContact CG-CE 4.41Å; I187-M267 HydrophobicContact CG2-CB 4.1Å; I187-M267 HydrophobicContact CG2-CG 3.99Å; I190-M267 HydrophobicContact CG2-CE 4.34Å; I190-M267 HydrophobicContact CG2-SD 4.28Å; F194-M267 HydrophobicContact CD1-SD 4.4Å; L263-M267 HydrophobicContact CD1-CE 3.87Å; L263-M267 HydrophobicContact CD2-CE 4.09Å; L263-M267 HydrophobicContact CG-CE 3.85Å; L263-M267 HydrophobicContact CG-SD 4.49Å; L263-M267 WeakPolarHBondContact O-CG 3.3Å; L263-M267 PolarHBondContact O-N 3.31Å; L264-M267 WeakPolarHBondContact O-CB 3.31Å; L264-M267 PolarHBondContact O-N 3.23Å; L264-M267 VanDerWaalsContact O-N 3.13Å; S265-M267 PolarHBondContact O-N 2.9Å; M267-R275 WeakPolarHBondContact O-CD 3.14Å; M267-R275 VanDerWaalsContact O-CG 3.27Å; M267-R275 WeakPolarHBondContact O-CG 3.37Å; M267-I276 HydrophobicContact CB-CG2 4.43Å; M267-I276 HydrophobicContact CG-CG2 3.78Å; M267-A281 HydrophobicContact CE-CB 3.99Å |
| 268 | L | 98.6 | Very high | 98.2 | Very high | 5 Ų | 5 | 41 Ų | 41 | 3% | 0.026 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | 19.7 | -176.1 | -61.9 | -180 | 0 | 0 | 0 | 113.5 | W188 T192 L203 L220 L249 L264 S265 K266 Y270 | W188-L268 HydrophobicContact CD2-CD2 3.84Å; W188-L268 HydrophobicContact CE3-CD2 3.9Å; W188-L268 HydrophobicContact CG-CD2 4.37Å; W188-L268 HydrophobicContact CH2-CD2 4.37Å; W188-L268 HydrophobicContact CZ2-CD2 4.29Å; W188-L268 HydrophobicContact CZ3-CB 4.21Å; W188-L268 HydrophobicContact CZ3-CD2 4.18Å; W188-L268 VanDerWaalsContact CZ3-O 3.32Å; W188-L268 WeakPolarHBondContact CZ3-O 3.26Å; T192-L268 HydrophobicContact CG2-CD2 4.06Å; L203-L268 HydrophobicContact CD2-CD1 3.63Å; L220-L268 HydrophobicContact CD1-CB 4.17Å; L249-L268 HydrophobicContact CD2-CD1 3.86Å; L264-L268 HydrophobicContact CD1-CD1 3.72Å; L264-L268 HydrophobicContact CD1-CG 4.13Å; L264-L268 HydrophobicContact CG-CD1 4.06Å; L264-L268 PolarHBondContact O-N 3.18Å; L264-L268 VanDerWaalsContact O-N 3.07Å; S265-L268 CarbonylContact O-C 3.55Å; S265-L268 PolarHBondContact O-N 3.03Å; K266-L268 VanDerWaalsContact C-N 3.34Å; L268-Y270 PolarHBondContact O-N 2.86Å |
| 269 | I | 98.6 | Very high | 98.2 | Very high | 56 Ų | 56 | 40 Ų | 40 | 29% | 0.287 | 22% | 0.217 | S | C | . | . | trans | -62.2 | 132.7 | 169.7 | -68.9 | 172.8 | 0 | 0 | 0 | 109.4 | S265 D271 K274 R275 | S265-I269 PolarHBondContact O-N 3.2Å; I269-D271 HydrophobicContact CG2-CB 4.35Å; I269-K274 HydrophobicContact CG2-CB 3.81Å; I269-R275 HydrophobicContact CB-CB 4.38Å; I269-R275 PolarHBondContact O-NE 3.35Å; I269-R275 PolarHBondContact O-NH2 2.69Å | ||
| 270 | Y | 98.3 | Very high | 98.2 | Very high | 17 Ų | 17 | 42.7 Ų | 42.7 | 7% | 0.067 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -58 | -60.5 | 178.3 | -84.3 | -62.7 | 0 | 0 | 0 | 112.3 | P172 I216 F217 L220 G221 P223 W228 L268 P272 R275 | P172-Y270 HydrophobicContact CB-CD1 4.21Å; P172-Y270 HydrophobicContact CB-CE1 4.26Å; P172-Y270 HydrophobicContact CG-CD1 3.89Å; P172-Y270 HydrophobicContact CG-CE1 4.26Å; I216-Y270 HydrophobicContact CG2-CE1 3.81Å; I216-Y270 WeakPolarHBondContact CG2-OH 3.37Å; I216-Y270 PolarHBondContact O-OH 3.4Å; F217-Y270 HydrophobicContact CD1-CE1 4.34Å; F217-Y270 WeakPolarHBondContact CD1-OH 3.41Å; F217-Y270 HydrophobicContact CE1-CE1 4.36Å; L220-Y270 HydrophobicContact CB-CE2 3.73Å; L220-Y270 WeakPolarHBondContact CB-OH 3.46Å; G221-Y270 WeakPolarHBondContact O-CE2 3.38Å; G221-Y270 PolarHBondContact O-OH 3.16Å; P223-Y270 HydrophobicContact CB-CD1 4.17Å; P223-Y270 HydrophobicContact CB-CD2 4.15Å; P223-Y270 HydrophobicContact CB-CE1 4.35Å; P223-Y270 HydrophobicContact CB-CE2 4.32Å; P223-Y270 HydrophobicContact CB-CG 4.08Å; P223-Y270 HydrophobicContact CG-CD1 4.24Å; P223-Y270 HydrophobicContact CG-CE1 4.08Å; W228-Y270 AromaticContact CE3-CD1 3.98Å; W228-Y270 HydrophobicContact CE3-CD1 3.98Å; W228-Y270 HydrophobicContact CE3-CG 4.21Å; W228-Y270 HydrophobicContact CZ3-CD1 4.13Å; L268-Y270 PolarHBondContact O-N 2.86Å; Y270-P272 WeakPolarHBondContact O-CD 2.99Å; Y270-P272 VanDerWaalsContact O-N 3.11Å; Y270-R275 PolarHBondContact O-NH2 3.02Å |
| 271 | D | 97.9 | Very high | 98.3 | Very high | 17 Ų | 17 | 42.7 Ų | 42.7 | 9% | 0.091 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -58.5 | 111.2 | -179.7 | -178.3 | -10.9 | 0 | 0 | 0 | 110.4 | W228 P229 I269 A273 K274 R275 | W228-D271 HydrophobicContact CB-CB 4.37Å; W228-D271 HydrophobicContact CG-CB 4.25Å; P229-D271 WeakPolarHBondContact CD-OD2 3.4Å; I269-D271 HydrophobicContact CG2-CB 4.35Å; D271-A273 PolarHBondContact O-N 3.09Å; D271-A273 VanDerWaalsContact O-N 3.11Å; D271-A273 WeakPolarHBondContact OD1-CB 3.43Å; D271-A273 PolarHBondContact OD1-N 3.12Å; D271-K274 HydrophobicContact CB-CB 4.14Å; D271-K274 HydrophobicContact CB-CD 4.12Å; D271-K274 HydrophobicContact CB-CG 4.22Å; D271-K274 PolarHBondContact O-N 2.93Å; D271-K274 WeakPolarHBondContact OD2-CD 3.31Å; D271-K274 VanDerWaalsContact OD2-CE 3.25Å; D271-K274 WeakPolarHBondContact OD2-CE 3.07Å; D271-K274 WeakPolarHBondContact OD2-CG 3.35Å; D271-K274 IonicContact OD2-NZ 3.41Å; D271-R275 PolarHBondContact O-N 2.85Å |
| 272 | P | 96.5 | Very high | 98.3 | Very high | 31 Ų | 31 | 42.2 Ų | 42.2 | 20% | 0.201 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -26.1 | -178.3 | -25 | 36.1 | 0 | 0 | 0 | 113.3 | E173 P184 W228 Y270 | E173-P272 HydrophobicContact CB-CG 4.15Å; E173-P272 HydrophobicContact CG-CG 4.06Å; P184-P272 HydrophobicContact CB-CB 3.89Å; P184-P272 HydrophobicContact CG-CB 4Å; P184-P272 WeakPolarHBondContact CG-O 3.47Å; W228-P272 HydrophobicContact CZ2-CG 4.21Å; Y270-P272 WeakPolarHBondContact O-CD 2.99Å; Y270-P272 VanDerWaalsContact O-N 3.11Å |
| 273 | A | 96.4 | Very high | 98.2 | Very high | 92 Ų | 92 | 45.1 Ų | 45.1 | 76% | 0.76 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -24.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | D271 | D271-A273 PolarHBondContact O-N 3.09Å; D271-A273 VanDerWaalsContact O-N 3.11Å; D271-A273 WeakPolarHBondContact OD1-CB 3.43Å; D271-A273 PolarHBondContact OD1-N 3.12Å |
| 274 | K | 98.1 | Very high | 98.2 | Very high | 120 Ų | 120 | 45.7 Ų | 45.7 | 52% | 0.522 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | -16.5 | 177.9 | -66.1 | 177.4 | -171.8 | 168.2 | 0 | 113.2 | I269 D271 I276 | I269-K274 HydrophobicContact CG2-CB 3.81Å; D271-K274 HydrophobicContact CB-CB 4.14Å; D271-K274 HydrophobicContact CB-CD 4.12Å; D271-K274 HydrophobicContact CB-CG 4.22Å; D271-K274 PolarHBondContact O-N 2.93Å; D271-K274 WeakPolarHBondContact OD2-CD 3.31Å; D271-K274 VanDerWaalsContact OD2-CE 3.25Å; D271-K274 WeakPolarHBondContact OD2-CE 3.07Å; D271-K274 WeakPolarHBondContact OD2-CG 3.35Å; D271-K274 IonicContact OD2-NZ 3.41Å; K274-I276 PolarHBondContact O-N 3.4Å |
| 275 | R | 98.6 | Very high | 98.2 | Very high | 13 Ų | 13 | 48.4 Ų | 48.4 | 5% | 0.049 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -59.6 | 133.3 | 176.1 | -163.9 | 178.6 | -61.5 | 151.5 | 5.9 | 110.5 | E173 P184 I187 M267 I269 Y270 D271 S277 | E173-R275 IonicContact OE1-CZ 2.96Å; E173-R275 IonicContact OE1-NH1 3.46Å; E173-R275 PolarHBondContact OE1-NH1 3.24Å; E173-R275 IonicContact OE1-NH2 2.71Å; E173-R275 IonicContact OE2-CZ 3.14Å; E173-R275 IonicContact OE2-NH1 3.61Å; E173-R275 PolarHBondContact OE2-NH1 2.77Å; E173-R275 IonicContact OE2-NH2 2.77Å; E173-R275 PolarHBondContact OE2-NH2 3.19Å; P184-R275 VanDerWaalsContact C-NH1 3.3Å; P184-R275 HydrophobicContact CB-CB 4.47Å; P184-R275 WeakPolarHBondContact O-CD 3.24Å; P184-R275 PolarHBondContact O-NH1 2.91Å; I187-R275 HydrophobicContact CG2-CG 4.21Å; M267-R275 WeakPolarHBondContact O-CD 3.14Å; M267-R275 VanDerWaalsContact O-CG 3.27Å; M267-R275 WeakPolarHBondContact O-CG 3.37Å; I269-R275 HydrophobicContact CB-CB 4.38Å; I269-R275 PolarHBondContact O-NE 3.35Å; I269-R275 PolarHBondContact O-NH2 2.69Å; Y270-R275 PolarHBondContact O-NH2 3.02Å; D271-R275 PolarHBondContact O-N 2.85Å; R275-S277 PolarHBondContact O-N 3.48Å |
| 276 | I | 98.8 | Very high | 98.2 | Very high | 13 Ų | 13 | 46.6 Ų | 46.6 | 7% | 0.067 | 25% | 0.249 | C | C | . | . | P | Polyproline II helix | trans | -56.8 | 137.9 | -176 | -165.4 | 170.5 | 0 | 0 | 0 | 111 | I187 L263 K266 M267 K274 M280 A281 | I187-I276 HydrophobicContact CG2-CG2 4.18Å; I187-I276 WeakPolarHBondContact CG2-O 3.17Å; L263-I276 HydrophobicContact CD1-CD1 4.14Å; K266-I276 HydrophobicContact CB-CB 3.98Å; K266-I276 HydrophobicContact CB-CD1 4.28Å; K266-I276 HydrophobicContact CB-CG2 4.02Å; K266-I276 HydrophobicContact CD-CD1 4.01Å; K266-I276 WeakPolarHBondContact O-CG2 3.34Å; K266-I276 PolarHBondContact O-N 3.26Å; K266-I276 VanDerWaalsContact O-N 3.1Å; M267-I276 HydrophobicContact CB-CG2 4.43Å; M267-I276 HydrophobicContact CG-CG2 3.78Å; K274-I276 PolarHBondContact O-N 3.4Å; I276-M280 HydrophobicContact CD1-CB 4Å; I276-M280 HydrophobicContact CG1-CB 3.52Å; I276-A281 HydrophobicContact CD1-CB 4.07Å; I276-A281 HydrophobicContact CG1-CB 4.38Å; I276-A281 HydrophobicContact CG2-CB 4.42Å |
| 277 | S | 98.6 | Very high | 98.2 | Very high | 51 Ų | 51 | 43.6 Ų | 43.6 | 36% | 0.357 | 24% | 0.236 | S | C | . | . | P | Polyproline II helix | trans | -75.5 | 154.5 | 171.7 | 69.5 | 0 | 0 | 0 | 0 | 110.7 | R275 K279 M280 A281 | R275-S277 PolarHBondContact O-N 3.48Å; S277-K279 PolarHBondContact O-N 2.95Å; S277-M280 PolarHBondContact O-N 2.92Å; S277-M280 WeakPolarHBondContact OG-CG 3.33Å; S277-M280 PolarHBondContact OG-N 2.64Å; S277-A281 PolarHBondContact O-N 3.48Å |
| 278 | G | 97.9 | Very high | 98 | Very high | 2 Ų | 2 | 49.3 Ų | 49.3 | 2% | 0.021 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -55.3 | -36.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | A281 L282 | G278-A281 PolarHBondContact O-N 2.86Å; G278-L282 WeakPolarHBondContact O-CG 3.49Å; G278-L282 PolarHBondContact O-N 3.39Å |
| 279 | K | 97.8 | Very high | 97.7 | Very high | 147 Ų | 147 | 54.4 Ų | 54.4 | 64% | 0.639 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -65.5 | -40.6 | 177.1 | -174 | 178.5 | -179.5 | -178.6 | 0 | 112.2 | V117 S277 N283 | V117-K279 VanDerWaalsContact CG2-N 3.34Å; S277-K279 PolarHBondContact O-N 2.95Å; K279-N283 PolarHBondContact O-ND2 3.13Å |
| 280 | M | 98.6 | Very high | 97.4 | Very high | 124 Ų | 124 | 52.3 Ų | 52.3 | 61% | 0.611 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -70.4 | -37.6 | 175.5 | -72.4 | 174.4 | 73.8 | 0 | 0 | 111.4 | I276 S277 L282 N283 | I276-M280 HydrophobicContact CD1-CB 4Å; I276-M280 HydrophobicContact CG1-CB 3.52Å; S277-M280 PolarHBondContact O-N 2.92Å; S277-M280 WeakPolarHBondContact OG-CG 3.33Å; S277-M280 PolarHBondContact OG-N 2.64Å; M280-L282 PolarHBondContact O-N 3.42Å; M280-N283 PolarHBondContact O-N 2.86Å; M280-N283 VanDerWaalsContact O-N 3.1Å |
| 281 | A | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.9 | -41.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L113 L263 M267 I276 S277 G278 N283 H284 F287 | L113-A281 HydrophobicContact CD1-CB 3.81Å; L113-A281 HydrophobicContact CD2-CB 3.92Å; L263-A281 HydrophobicContact CD1-CB 3.98Å; M267-A281 HydrophobicContact CE-CB 3.99Å; I276-A281 HydrophobicContact CD1-CB 4.07Å; I276-A281 HydrophobicContact CG1-CB 4.38Å; I276-A281 HydrophobicContact CG2-CB 4.42Å; S277-A281 PolarHBondContact O-N 3.48Å; G278-A281 PolarHBondContact O-N 2.86Å; A281-N283 PolarHBondContact O-N 3.16Å; A281-N283 VanDerWaalsContact O-N 3.15Å; A281-H284 WeakPolarHBondContact O-CB 3.33Å; A281-H284 PolarHBondContact O-N 3.37Å; A281-F287 WeakPolarHBondContact O-CD2 3.09Å; A281-F287 WeakPolarHBondContact O-CE2 3.38Å |
| 282 | L | 98.3 | Very high | 95.7 | Very high | 28 Ų | 28 | 61.3 Ų | 61.3 | 15% | 0.147 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -59.5 | -24.6 | 175.2 | -73.1 | 170.4 | 0 | 0 | 0 | 113.7 | Y110 L113 Q114 V117 G278 M280 | Y110-L282 HydrophobicContact CD1-CD2 4.23Å; Y110-L282 HydrophobicContact CD2-CD2 3.68Å; Y110-L282 HydrophobicContact CE1-CD2 4.04Å; Y110-L282 HydrophobicContact CE2-CB 4.35Å; Y110-L282 HydrophobicContact CE2-CD2 3.52Å; Y110-L282 HydrophobicContact CG-CD2 4.06Å; L113-L282 HydrophobicContact CB-CD2 3.57Å; L113-L282 HydrophobicContact CB-CG 3.93Å; L113-L282 HydrophobicContact CD1-CD2 4.46Å; Q114-L282 HydrophobicContact CG-CD1 4.33Å; Q114-L282 HydrophobicContact CG-CD2 3.8Å; V117-L282 HydrophobicContact CB-CD1 4.34Å; V117-L282 HydrophobicContact CG2-CD1 3.92Å; G278-L282 WeakPolarHBondContact O-CG 3.49Å; G278-L282 PolarHBondContact O-N 3.39Å; M280-L282 PolarHBondContact O-N 3.42Å |
| 283 | N | 97.8 | Very high | 94.5 | Very high | 122 Ų | 122 | 68 Ų | 68 | 65% | 0.652 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.3 | 10.4 | 178.3 | -65 | -65.5 | 0 | 0 | 0 | 112.9 | K279 M280 A281 | K279-N283 PolarHBondContact O-ND2 3.13Å; M280-N283 PolarHBondContact O-N 2.86Å; M280-N283 VanDerWaalsContact O-N 3.1Å; A281-N283 PolarHBondContact O-N 3.16Å; A281-N283 VanDerWaalsContact O-N 3.15Å |
| 284 | H | 98.7 | Very high | 93.5 | Very high | 11 Ų | 11 | 65 Ų | 65 | 5% | 0.051 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -73.1 | 144.6 | -177.7 | -160.5 | -95 | 0 | 0 | 0 | 112.1 | N259 D262 L263 K266 A281 Y286 F287 | N259-H284 PolarHBondContact O-CE1 3.17Å; N259-H284 VanDerWaalsContact O-CE1 3.26Å; D262-H284 IonicContact OD2-CE1 2.62Å; D262-H284 PolarHBondContact OD2-CE1 2.89Å; D262-H284 IonicContact OD2-NE2 2.68Å; D262-H284 PolarHBondContact OD2-NE2 3.38Å; L263-H284 HydrophobicContact CD1-CB 3.9Å; L263-H284 HydrophobicContact CD2-CB 4.33Å; K266-H284 PolarHBondContact NZ-NE2 3.13Å; A281-H284 WeakPolarHBondContact O-CB 3.33Å; A281-H284 PolarHBondContact O-N 3.37Å; H284-Y286 PolarHBondContact ND1-N 3.24Å; H284-Y286 PolarHBondContact O-N 2.94Å; H284-F287 HydrophobicContact CB-CD2 4.29Å; H284-F287 PolarHBondContact O-N 3.38Å |
| 285 | P | 98.4 | Very high | 92.3 | Very high | 58 Ų | 58 | 61.8 Ų | 61.8 | 38% | 0.377 | 32% | 0.318 | S | S | . | . | G | 310 helix | trans | -53.6 | -25.3 | 177.4 | -30.1 | 36.2 | 0 | 0 | 0 | 115.5 | F287 N288 | P285-F287 PolarHBondContact O-N 3.45Å; P285-F287 VanDerWaalsContact O-N 3.08Å; P285-N288 WeakPolarHBondContact O-CB 3.25Å; P285-N288 PolarHBondContact O-N 2.91Å; P285-N288 VanDerWaalsContact O-N 3.07Å |
| 286 | Y | 98.4 | Very high | 90.9 | Very high | 7 Ų | 7 | 69.7 Ų | 69.7 | 3% | 0.027 | 35% | 0.353 | C | S | . | . | G | 310 helix | trans | -54.1 | -26.6 | 174.7 | -176.6 | -114.3 | 0 | 0 | 0 | 113.2 | K106 L109 F194 D257 N259 G260 L263 H284 | K106-Y286 HydrophobicContact CB-CE1 4.05Å; K106-Y286 WeakPolarHBondContact CD-O 3.41Å; K106-Y286 WeakPolarHBondContact CE-O 3.21Å; K106-Y286 HydrophobicContact CG-CD1 4.23Å; K106-Y286 HydrophobicContact CG-CE1 3.8Å; K106-Y286 PolarHBondContact NZ-O 3.15Å; L109-Y286 HydrophobicContact CD2-CD1 4.36Å; L109-Y286 HydrophobicContact CD2-CE1 4.07Å; F194-Y286 HydrophobicContact CE2-CE1 4.03Å; F194-Y286 HydrophobicContact CZ-CD1 4.33Å; F194-Y286 AromaticContact CZ-CE1 3.69Å; F194-Y286 HydrophobicContact CZ-CE1 3.69Å; F194-Y286 HydrophobicContact CZ-CE2 4.4Å; F194-Y286 AromaticContact CZ-CZ 3.73Å; D257-Y286 WeakPolarHBondContact OD1-CD2 3.49Å; N259-Y286 HydrophobicContact CB-CD2 4.07Å; G260-Y286 VanDerWaalsContact CA-CD2 3.42Å; G260-Y286 VanDerWaalsContact N-CD2 3.34Å; L263-Y286 HydrophobicContact CD2-CD1 3.83Å; L263-Y286 HydrophobicContact CD2-CG 4.27Å; H284-Y286 PolarHBondContact ND1-N 3.24Å; H284-Y286 PolarHBondContact O-N 2.94Å |
| 287 | F | 98.1 | Very high | 89.1 | Confident | 2 Ų | 2 | 73.6 Ų | 73.6 | 1% | 0.009 | 37% | 0.372 | C | S | . | . | G | 310 helix | trans | -102 | 2.2 | -178.7 | -58.2 | -63.2 | 0 | 0 | 0 | 114.2 | K106 L109 Y110 L113 L263 A281 H284 P285 D289 L290 K295 | K106-F287 HydrophobicContact CD-CD1 4.47Å; K106-F287 HydrophobicContact CG-CD1 3.67Å; K106-F287 HydrophobicContact CG-CE1 4Å; L109-F287 HydrophobicContact CB-CE1 4.33Å; L109-F287 HydrophobicContact CB-CZ 4.35Å; L109-F287 HydrophobicContact CD2-CE1 4.16Å; L109-F287 HydrophobicContact CD2-CZ 3.66Å; L109-F287 HydrophobicContact CG-CE1 4.32Å; L109-F287 HydrophobicContact CG-CZ 3.85Å; Y110-F287 HydrophobicContact CD2-CB 3.93Å; Y110-F287 AromaticContact CD2-CD1 3.59Å; Y110-F287 HydrophobicContact CD2-CD1 3.59Å; Y110-F287 AromaticContact CD2-CD2 3.85Å; Y110-F287 HydrophobicContact CD2-CD2 3.85Å; Y110-F287 AromaticContact CD2-CE1 3.96Å; Y110-F287 HydrophobicContact CD2-CE1 3.96Å; Y110-F287 HydrophobicContact CD2-CE2 4.2Å; Y110-F287 AromaticContact CD2-CG 3.52Å; Y110-F287 HydrophobicContact CD2-CG 3.52Å; Y110-F287 HydrophobicContact CD2-CZ 4.24Å; Y110-F287 HydrophobicContact CE2-CB 4.1Å; Y110-F287 HydrophobicContact CE2-CD2 4.31Å; Y110-F287 HydrophobicContact CE2-CG 4.1Å; Y110-F287 HydrophobicContact CG-CD1 4.25Å; Y110-F287 HydrophobicContact CG-CE1 4.4Å; L113-F287 HydrophobicContact CD1-CE2 3.8Å; L113-F287 HydrophobicContact CD1-CZ 3.75Å; L263-F287 HydrophobicContact CD2-CD2 4.49Å; L263-F287 HydrophobicContact CD2-CE2 3.59Å; L263-F287 HydrophobicContact CD2-CZ 3.76Å; A281-F287 WeakPolarHBondContact O-CD2 3.09Å; A281-F287 WeakPolarHBondContact O-CE2 3.38Å; H284-F287 HydrophobicContact CB-CD2 4.29Å; H284-F287 PolarHBondContact O-N 3.38Å; P285-F287 PolarHBondContact O-N 3.45Å; P285-F287 VanDerWaalsContact O-N 3.08Å; F287-D289 VanDerWaalsContact C-N 3.25Å; F287-D289 PolarHBondContact O-N 3.24Å; F287-L290 HydrophobicContact CD1-CD2 4.25Å; F287-L290 WeakPolarHBondContact O-CB 3.47Å; F287-L290 PolarHBondContact O-N 3.3Å; F287-L290 VanDerWaalsContact O-N 3.08Å; F287-K295 WeakPolarHBondContact O-CE 3.26Å; F287-K295 PolarHBondContact O-NZ 3.1Å |
| 288 | N | 94.8 | Very high | 88.6 | Confident | 119 Ų | 119 | 74.8 Ų | 74.8 | 64% | 0.636 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -37.2 | -173.4 | -77.2 | -6.7 | 0 | 0 | 0 | 112.9 | P285 K295 | P285-N288 WeakPolarHBondContact O-CB 3.25Å; P285-N288 PolarHBondContact O-N 2.91Å; P285-N288 VanDerWaalsContact O-N 3.07Å; N288-K295 PolarHBondContact O-NZ 3.44Å |
| 289 | D | 93.3 | Very high | 88.1 | Confident | 113 Ų | 113 | 78.6 Ų | 78.6 | 60% | 0.604 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | -3.8 | 179.2 | 63.5 | -35.2 | 0 | 0 | 0 | 114.3 | K106 F287 | K106-D289 IonicContact NZ-OD1 3.47Å; K106-D289 PolarHBondContact NZ-OD1 2.92Å; K106-D289 IonicContact NZ-OD2 2.73Å; K106-D289 PolarHBondContact NZ-OD2 3.49Å; F287-D289 VanDerWaalsContact C-N 3.25Å; F287-D289 PolarHBondContact O-N 3.24Å |
| 290 | L | 92.1 | Very high | 87.6 | Confident | 12 Ų | 12 | 74.8 Ų | 74.8 | 6% | 0.063 | 38% | 0.378 | C | S | . | . | S | Bend | trans | -68.6 | 136.5 | 177.1 | -177.6 | 68.8 | 0 | 0 | 0 | 111 | K106 Y110 F287 N292 I294 K295 | K106-L290 HydrophobicContact CD-CB 4.13Å; K106-L290 HydrophobicContact CD-CD1 4.4Å; K106-L290 HydrophobicContact CG-CB 4.37Å; K106-L290 HydrophobicContact CG-CD1 4.16Å; Y110-L290 VanDerWaalsContact CB-CD2 3.47Å; Y110-L290 HydrophobicContact CD1-CD2 3.92Å; Y110-L290 HydrophobicContact CD2-CD2 3.86Å; Y110-L290 HydrophobicContact CG-CD2 3.46Å; Y110-L290 VanDerWaalsContact CG-CD2 3.46Å; F287-L290 HydrophobicContact CD1-CD2 4.25Å; F287-L290 WeakPolarHBondContact O-CB 3.47Å; F287-L290 PolarHBondContact O-N 3.3Å; F287-L290 VanDerWaalsContact O-N 3.08Å; L290-N292 PolarHBondContact O-N 3.29Å; L290-I294 HydrophobicContact CD1-CD1 3.9Å; L290-I294 HydrophobicContact CD2-CB 4.48Å; L290-I294 HydrophobicContact CD2-CG2 4.01Å; L290-I294 HydrophobicContact CG-CB 4.44Å; L290-I294 HydrophobicContact CG-CD1 4.49Å; L290-I294 HydrophobicContact CG-CG2 4.43Å; L290-K295 WeakPolarHBondContact O-CE 3.25Å; L290-K295 PolarHBondContact O-NZ 3.05Å |
| 291 | D | 84.6 | Confident | 86.9 | Confident | 112 Ų | 112 | 71.9 Ų | 71.9 | 60% | 0.599 | 36% | 0.364 | S | S | * | . | trans | -50.5 | 130.6 | -177.6 | -70.9 | -33.3 | 0 | 0 | 0 | 113.1 | Q293 I294 K295 | D291-Q293 PolarHBondContact O-N 3.33Å; D291-Q293 VanDerWaalsContact O-N 3.11Å; D291-I294 HydrophobicContact CB-CD1 4.13Å; D291-I294 HydrophobicContact CB-CG1 4.38Å; D291-I294 WeakPolarHBondContact O-CB 3.32Å; D291-I294 PolarHBondContact O-N 3.47Å; D291-K295 PolarHBondContact O-N 2.83Å | ||
| 292 | N | 75.7 | Confident | 86.2 | Confident | 111 Ų | 111 | 76.4 Ų | 76.4 | 59% | 0.594 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -63.9 | -20.4 | -176.5 | -73.8 | -37.6 | 0 | 0 | 0 | 113.9 | L290 K296 | L290-N292 PolarHBondContact O-N 3.29Å; N292-K296 VanDerWaalsContact O-CG 3.29Å; N292-K296 WeakPolarHBondContact O-CG 3.28Å; N292-K296 PolarHBondContact O-N 3.27Å |
| 293 | Q | 71.6 | Confident | 85.4 | Confident | 171 Ų | 171 | 79.6 Ų | 79.6 | 80% | 0.799 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -68.3 | -42.4 | 173.7 | -69.5 | -163.9 | 12.8 | 0 | 0 | 111 | D291 K295 K296 M297 | D291-Q293 PolarHBondContact O-N 3.33Å; D291-Q293 VanDerWaalsContact O-N 3.11Å; Q293-K295 VanDerWaalsContact C-N 3.29Å; Q293-K295 PolarHBondContact O-N 3.19Å; Q293-K296 PolarHBondContact O-N 3.04Å; Q293-M297 PolarHBondContact O-N 3.48Å |
| 294 | I | 75 | Confident | 84.5 | Confident | 30 Ų | 30 | 76.6 Ų | 76.6 | 15% | 0.154 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -64.1 | -38.9 | 176.6 | -60.5 | 169.3 | 0 | 0 | 0 | 109.8 | Y110 Q111 L290 D291 K296 M297 | Y110-I294 HydrophobicContact CD1-CG2 4.35Å; Q111-I294 HydrophobicContact CG-CG2 4.16Å; L290-I294 HydrophobicContact CD1-CD1 3.9Å; L290-I294 HydrophobicContact CD2-CB 4.48Å; L290-I294 HydrophobicContact CD2-CG2 4.01Å; L290-I294 HydrophobicContact CG-CB 4.44Å; L290-I294 HydrophobicContact CG-CD1 4.49Å; L290-I294 HydrophobicContact CG-CG2 4.43Å; D291-I294 HydrophobicContact CB-CD1 4.13Å; D291-I294 HydrophobicContact CB-CG1 4.38Å; D291-I294 WeakPolarHBondContact O-CB 3.32Å; D291-I294 PolarHBondContact O-N 3.47Å; I294-K296 PolarHBondContact O-N 2.76Å; I294-M297 PolarHBondContact O-N 3.49Å |
| 295 | K | 72.6 | Confident | 83.4 | Confident | 51 Ų | 51 | 81.6 Ų | 81.6 | 22% | 0.222 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -65.9 | -20.9 | 178.7 | -65.6 | -179.1 | 177.4 | 156.3 | 0 | 115.2 | Y110 F287 N288 L290 D291 Q293 | Y110-K295 HydrophobicContact CE1-CB 4.18Å; Y110-K295 HydrophobicContact CE1-CG 3.97Å; Y110-K295 HydrophobicContact CE2-CG 4.38Å; F287-K295 WeakPolarHBondContact O-CE 3.26Å; F287-K295 PolarHBondContact O-NZ 3.1Å; N288-K295 PolarHBondContact O-NZ 3.44Å; L290-K295 WeakPolarHBondContact O-CE 3.25Å; L290-K295 PolarHBondContact O-NZ 3.05Å; D291-K295 PolarHBondContact O-N 2.83Å; Q293-K295 VanDerWaalsContact C-N 3.29Å; Q293-K295 PolarHBondContact O-N 3.19Å |
| 296 | K | 68.9 | Low | 82.1 | Confident | 179 Ų | 179 | 83.6 Ų | 83.6 | 78% | 0.778 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -100.3 | -8.8 | -175.4 | -74.1 | 178.5 | -178.9 | -176.5 | 0 | 113.8 | N292 Q293 I294 | N292-K296 VanDerWaalsContact O-CG 3.29Å; N292-K296 WeakPolarHBondContact O-CG 3.28Å; N292-K296 PolarHBondContact O-N 3.27Å; Q293-K296 PolarHBondContact O-N 3.04Å; I294-K296 PolarHBondContact O-N 2.76Å |
| 297 | M | 60.7 | Low | 80.7 | Confident | 96 Ų | 96 | 90.5 Ų | 90.5 | 47% | 0.473 | 45% | 0.448 | S | S | . | . | trans | -66.4 | 0 | 169.6 | -66.6 | -179.7 | 72.8 | 0 | 0 | 109.8 | P61 Q114 T141 Q293 I294 | P61-M297 VanDerWaalsContact CG-O 3.31Å; P61-M297 WeakPolarHBondContact CG-O 3.5Å; Q114-M297 PolarHBondContact NE2-OXT 3.44Å; T141-M297 HydrophobicContact CG2-CE 4.47Å; Q293-M297 PolarHBondContact O-N 3.48Å; I294-M297 PolarHBondContact O-N 3.49Å |
Retrieved 297 of 297 residues in 1215.7 ms
(Link to these results)