| 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 | 62.3 | Low | 86.1 | Confident | 105 Ų | 105 | 88.9 Ų | 88.9 | 52% | 0.517 | 44% | 0.444 | S | S | . | . | 0 | -11.7 | 0 | -82.4 | -135.3 | -77.9 | 0 | 0 | 113.2 | L3 F4 K6 Y77 | M1-L3 VanDerWaalsContact C-N 3.28Å; M1-L3 PolarHBondContact O-N 3.26Å; M1-F4 PolarHBondContact O-N 3.26Å; M1-F4 VanDerWaalsContact O-O 3.09Å; M1-K6 VanDerWaalsContact SD-CE 3.52Å; M1-Y77 HydrophobicContact CG-CE2 4.4Å; M1-Y77 HydrophobicContact SD-CE1 4.39Å | |||
| 2 | E | 75.4 | Confident | 85.8 | Confident | 172 Ų | 172 | 90.5 Ų | 90.5 | 80% | 0.804 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -33.7 | 178.2 | -64.3 | -177 | 162.5 | 0 | 0 | 113.2 | F4 K24 | E2-F4 PolarHBondContact O-N 3.27Å; E2-K24 VanDerWaalsContact O-CD 3.28Å; E2-K24 WeakPolarHBondContact O-CD 3.25Å; E2-K24 VanDerWaalsContact O-CE 3.27Å; E2-K24 WeakPolarHBondContact O-CE 3.32Å; E2-K24 PolarHBondContact O-NZ 3.48Å |
| 3 | L | 84.6 | Confident | 84.6 | Confident | 101 Ų | 101 | 86.7 Ų | 86.7 | 53% | 0.529 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -16.9 | -179.6 | -66.5 | 170.2 | 0 | 0 | 0 | 115.4 | M1 K24 V25 | M1-L3 VanDerWaalsContact C-N 3.28Å; M1-L3 PolarHBondContact O-N 3.26Å; L3-K24 PolarHBondContact O-N 3.38Å; L3-V25 HydrophobicContact CD2-CG2 3.93Å |
| 4 | F | 90.3 | Very high | 83.3 | Confident | 20 Ų | 20 | 85.8 Ų | 85.8 | 9% | 0.088 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 130.7 | -174.3 | -61.7 | -84.1 | 0 | 0 | 0 | 111.7 | M1 E2 A21 K22 N23 V30 L32 I70 V79 | M1-F4 PolarHBondContact O-N 3.26Å; M1-F4 VanDerWaalsContact O-O 3.09Å; E2-F4 PolarHBondContact O-N 3.27Å; F4-A21 HydrophobicContact CB-CB 4.47Å; F4-K22 WeakPolarHBondContact CA-O 3.46Å; F4-N23 HydrophobicContact CD1-CB 4.08Å; F4-N23 HydrophobicContact CE1-CB 3.86Å; F4-V30 HydrophobicContact CD1-CG2 3.71Å; F4-V30 HydrophobicContact CE1-CG1 4.46Å; F4-V30 HydrophobicContact CE1-CG2 3.78Å; F4-L32 HydrophobicContact CB-CD1 3.84Å; F4-L32 HydrophobicContact CD1-CD2 4.5Å; F4-L32 HydrophobicContact CG-CD1 4.25Å; F4-L32 HydrophobicContact CG-CD2 4.36Å; F4-I70 HydrophobicContact CD2-CD1 3.83Å; F4-I70 HydrophobicContact CE2-CD1 3.57Å; F4-V79 HydrophobicContact CE1-CG1 3.97Å; F4-V79 HydrophobicContact CE2-CG2 4.22Å; F4-V79 HydrophobicContact CZ-CG1 3.9Å; F4-V79 HydrophobicContact CZ-CG2 4.11Å |
| 5 | Q | 92.3 | Very high | 82.5 | Confident | 118 Ų | 118 | 83.9 Ų | 83.9 | 55% | 0.551 | 43% | 0.433 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97 | 115.7 | 171.2 | -177.2 | 178.4 | 2.9 | 0 | 0 | 109.1 | V7 A21 K22 K24 | Q5-V7 PolarHBondContact O-N 2.91Å; Q5-A21 CarbonylContact O-C 3.52Å; Q5-A21 WeakPolarHBondContact O-CA 3.39Å; Q5-A21 WeakPolarHBondContact O-CB 2.97Å; Q5-K22 PolarHBondContact N-O 3.32Å; Q5-K22 PolarHBondContact O-N 3.15Å; Q5-K24 HydrophobicContact CB-CG 4.3Å |
| 6 | K | 91.6 | Very high | 82.4 | Confident | 78 Ų | 78 | 78.6 Ų | 78.6 | 34% | 0.339 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 132.9 | 172.8 | -65.9 | -177.7 | -175.7 | 176 | 0 | 109.5 | M1 Y19 | M1-K6 VanDerWaalsContact SD-CE 3.52Å; K6-Y19 HydrophobicContact CD-CD1 4.2Å; K6-Y19 HydrophobicContact CD-CG 4.2Å |
| 7 | V | 92.2 | Very high | 82.7 | Confident | 87 Ų | 87 | 75 Ų | 75 | 53% | 0.527 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | -59.1 | 178.6 | -179.7 | 0 | 0 | 0 | 0 | 109 | Q5 K20 | Q5-V7 PolarHBondContact O-N 2.91Å; V7-K20 HydrophobicContact CB-CG 4.45Å; V7-K20 WeakPolarHBondContact CB-O 3.28Å; V7-K20 PolarHBondContact N-O 3.36Å |
| 8 | E | 93.4 | Very high | 83.2 | Confident | 96 Ų | 96 | 72.5 Ų | 72.5 | 45% | 0.449 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 158.1 | -175.3 | 59.8 | -177.8 | 150.4 | 0 | 0 | 111.5 | I10 Y19 K20 | E8-I10 HydrophobicContact CG-CG2 3.81Å; E8-Y19 CarbonylContact O-C 3.51Å; E8-Y19 VanDerWaalsContact O-CA 3.24Å; E8-Y19 WeakPolarHBondContact O-CA 3.46Å; E8-K20 HydrophobicContact CG-CB 3.85Å; E8-K20 HydrophobicContact CG-CD 4.11Å; E8-K20 PolarHBondContact N-O 3.24Å; E8-K20 PolarHBondContact O-N 3.06Å; E8-K20 VanDerWaalsContact OE1-CD 3.23Å; E8-K20 WeakPolarHBondContact OE1-CD 3.34Å; E8-K20 IonicContact OE1-NZ 3.48Å; E8-K20 PolarHBondContact OE1-NZ 3.38Å |
| 9 | K | 93 | Very high | 83.7 | Confident | 116 Ų | 116 | 71.5 Ų | 71.5 | 50% | 0.504 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 120.8 | 170.3 | -179.5 | -174.8 | 176.4 | -173 | 0 | 108.2 | E12 V17 Y19 | K9-E12 WeakPolarHBondContact CE-OE2 3.29Å; K9-E12 IonicContact NZ-OE2 3.86Å; K9-E12 PolarHBondContact NZ-OE2 2.71Å; K9-V17 HydrophobicContact CD-CG1 3.99Å; K9-V17 HydrophobicContact CG-CG1 3.82Å; K9-Y19 HydrophobicContact CB-CD1 4.08Å; K9-Y19 HydrophobicContact CB-CE1 4.05Å; K9-Y19 HydrophobicContact CG-CE1 4.37Å |
| 10 | I | 88.8 | Confident | 84.3 | Confident | 58 Ų | 58 | 70.6 Ų | 70.6 | 30% | 0.297 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | -14.4 | -176.4 | 60.9 | 176.6 | 0 | 0 | 0 | 113.7 | E8 V18 K20 F82 | E8-I10 HydrophobicContact CG-CG2 3.81Å; I10-V18 HydrophobicContact CD1-CG1 3.79Å; I10-V18 HydrophobicContact CG1-CB 4.04Å; I10-V18 HydrophobicContact CG1-CG1 3.72Å; I10-V18 PolarHBondContact N-O 2.77Å; I10-K20 HydrophobicContact CD1-CB 4.34Å; I10-K20 HydrophobicContact CG2-CB 3.7Å; I10-F82 HydrophobicContact CD1-CD2 4.32Å; I10-F82 HydrophobicContact CD1-CE2 3.9Å |
| 11 | G | 83.2 | Confident | 84.8 | Confident | 27 Ų | 27 | 67.2 Ų | 67.2 | 28% | 0.278 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.2 | 161.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | V18 | G11-V18 PolarHBondContact N-O 2.91Å; G11-V18 PolarHBondContact O-N 3.26Å |
| 12 | E | 82.1 | Confident | 86.4 | Confident | 108 Ų | 108 | 67 Ų | 67 | 51% | 0.505 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 128.1 | 170.2 | -179.4 | 173.3 | 155.2 | 0 | 0 | 107.6 | K9 V17 R36 | K9-E12 WeakPolarHBondContact CE-OE2 3.29Å; K9-E12 IonicContact NZ-OE2 3.86Å; K9-E12 PolarHBondContact NZ-OE2 2.71Å; E12-V17 HydrophobicContact CG-CG2 4.16Å; E12-R36 VanDerWaalsContact CD-NH2 3.34Å; E12-R36 IonicContact OE1-CZ 3.67Å; E12-R36 IonicContact OE1-NH1 3.13Å; E12-R36 IonicContact OE1-NH2 2.63Å; E12-R36 PolarHBondContact OE1-NH2 3.38Å |
| 13 | G | 70.2 | Confident | 87.3 | Confident | 41 Ų | 41 | 60.2 Ų | 60.2 | 42% | 0.423 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | -176.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y15 G16 | G13-Y15 PolarHBondContact O-N 2.92Å; G13-Y15 VanDerWaalsContact O-N 3.14Å; G13-G16 PolarHBondContact N-O 3.48Å; G13-G16 PolarHBondContact O-N 2.88Å |
| 14 | T | 67.3 | Low | 87.7 | Confident | 74 Ų | 74 | 61.6 Ų | 61.6 | 45% | 0.454 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | -39.8 | -178.7 | -46.7 | 0 | 0 | 0 | 0 | 112.4 | ||
| 15 | Y | 71.4 | Confident | 87.7 | Confident | 57 Ų | 57 | 66.1 Ų | 66.1 | 22% | 0.224 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -2.7 | -174.6 | -49.1 | -69.5 | 0 | 0 | 0 | 114 | G13 I35 R36 L147 A148 | G13-Y15 PolarHBondContact O-N 2.92Å; G13-Y15 VanDerWaalsContact O-N 3.14Å; Y15-I35 WeakPolarHBondContact O-CA 3.34Å; Y15-R36 PolarHBondContact O-N 2.84Å; Y15-L147 HydrophobicContact CG-CB 4.42Å; Y15-A148 HydrophobicContact CE1-CB 4.4Å; Y15-A148 WeakPolarHBondContact OH-CB 3.48Å |
| 16 | G | 80.1 | Confident | 87.7 | Confident | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 134.3 | -155.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | G13 K34 | G13-G16 PolarHBondContact N-O 3.48Å; G13-G16 PolarHBondContact O-N 2.88Å; G16-K34 WeakPolarHBondContact CA-O 3.43Å |
| 17 | V | 87.8 | Confident | 87.8 | Confident | 17 Ų | 17 | 62.6 Ų | 62.6 | 10% | 0.103 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 132.9 | -167.6 | -174.8 | 0 | 0 | 0 | 0 | 110.5 | K9 E12 Y19 K34 | K9-V17 HydrophobicContact CD-CG1 3.99Å; K9-V17 HydrophobicContact CG-CG1 3.82Å; E12-V17 HydrophobicContact CG-CG2 4.16Å; V17-Y19 HydrophobicContact CB-CE2 3.87Å; V17-Y19 HydrophobicContact CG1-CD2 4.2Å; V17-Y19 HydrophobicContact CG1-CE1 4.1Å; V17-Y19 HydrophobicContact CG1-CE2 3.53Å; V17-Y19 VanDerWaalsContact CG1-CZ 3.47Å; V17-K34 PolarHBondContact N-O 3.49Å; V17-K34 PolarHBondContact O-N 3.38Å |
| 18 | V | 91 | Very high | 87.8 | Confident | 30 Ų | 30 | 63.4 Ų | 63.4 | 18% | 0.182 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 129 | 178.2 | -167.7 | 0 | 0 | 0 | 0 | 109.8 | I10 G11 A31 L32 K33 | I10-V18 HydrophobicContact CD1-CG1 3.79Å; I10-V18 HydrophobicContact CG1-CB 4.04Å; I10-V18 HydrophobicContact CG1-CG1 3.72Å; I10-V18 PolarHBondContact N-O 2.77Å; G11-V18 PolarHBondContact N-O 2.91Å; G11-V18 PolarHBondContact O-N 3.26Å; V18-A31 HydrophobicContact CG1-CB 4.24Å; V18-L32 WeakPolarHBondContact CA-O 3.48Å; V18-K33 HydrophobicContact CG2-CB 4.31Å; V18-K33 HydrophobicContact CG2-CD 4.21Å; V18-K33 HydrophobicContact CG2-CG 4Å |
| 19 | Y | 94.1 | Very high | 87.9 | Confident | 53 Ų | 53 | 61.4 Ų | 61.4 | 21% | 0.208 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 139.3 | 176.1 | -59.1 | -89 | 0 | 0 | 0 | 110.2 | K6 E8 K9 V17 A31 L32 K34 | K6-Y19 HydrophobicContact CD-CD1 4.2Å; K6-Y19 HydrophobicContact CD-CG 4.2Å; E8-Y19 CarbonylContact O-C 3.51Å; E8-Y19 VanDerWaalsContact O-CA 3.24Å; E8-Y19 WeakPolarHBondContact O-CA 3.46Å; K9-Y19 HydrophobicContact CB-CD1 4.08Å; K9-Y19 HydrophobicContact CB-CE1 4.05Å; K9-Y19 HydrophobicContact CG-CE1 4.37Å; V17-Y19 HydrophobicContact CB-CE2 3.87Å; V17-Y19 HydrophobicContact CG1-CD2 4.2Å; V17-Y19 HydrophobicContact CG1-CE1 4.1Å; V17-Y19 HydrophobicContact CG1-CE2 3.53Å; V17-Y19 VanDerWaalsContact CG1-CZ 3.47Å; Y19-A31 CarbonylContact O-C 3.49Å; Y19-A31 WeakPolarHBondContact O-CA 3.23Å; Y19-L32 PolarHBondContact N-O 3.39Å; Y19-L32 PolarHBondContact O-N 2.96Å; Y19-K34 HydrophobicContact CE2-CB 4.35Å |
| 20 | K | 94.8 | Very high | 88.1 | Confident | 54 Ų | 54 | 56 Ų | 56 | 24% | 0.235 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 132.6 | 158.8 | -177.2 | -177.9 | -176.7 | 178.8 | 0 | 107.8 | V7 E8 I10 T29 F82 | V7-K20 HydrophobicContact CB-CG 4.45Å; V7-K20 WeakPolarHBondContact CB-O 3.28Å; V7-K20 PolarHBondContact N-O 3.36Å; E8-K20 HydrophobicContact CG-CB 3.85Å; E8-K20 HydrophobicContact CG-CD 4.11Å; E8-K20 PolarHBondContact N-O 3.24Å; E8-K20 PolarHBondContact O-N 3.06Å; E8-K20 VanDerWaalsContact OE1-CD 3.23Å; E8-K20 WeakPolarHBondContact OE1-CD 3.34Å; E8-K20 IonicContact OE1-NZ 3.48Å; E8-K20 PolarHBondContact OE1-NZ 3.38Å; I10-K20 HydrophobicContact CD1-CB 4.34Å; I10-K20 HydrophobicContact CG2-CB 3.7Å; K20-T29 HydrophobicContact CD-CG2 4.31Å; K20-T29 HydrophobicContact CG-CG2 3.75Å; K20-F82 HydrophobicContact CB-CE2 4.13Å; K20-F82 HydrophobicContact CD-CE2 3.95Å; K20-F82 HydrophobicContact CD-CZ 3.94Å; K20-F82 HydrophobicContact CG-CD2 4.12Å; K20-F82 HydrophobicContact CG-CE2 3.82Å; K20-F82 HydrophobicContact CG-CZ 4.28Å |
| 21 | A | 95.5 | Very high | 88.4 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 160.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | F4 Q5 T29 V30 L32 | F4-A21 HydrophobicContact CB-CB 4.47Å; Q5-A21 CarbonylContact O-C 3.52Å; Q5-A21 WeakPolarHBondContact O-CA 3.39Å; Q5-A21 WeakPolarHBondContact O-CB 2.97Å; A21-T29 CarbonylContact O-C 3.57Å; A21-T29 WeakPolarHBondContact O-CA 3.46Å; A21-V30 HydrophobicContact CB-CG2 4.01Å; A21-V30 PolarHBondContact N-O 3.37Å; A21-V30 PolarHBondContact O-N 3.5Å; A21-L32 HydrophobicContact CB-CB 4.49Å; A21-L32 HydrophobicContact CB-CD1 3.35Å; A21-L32 HydrophobicContact CB-CG 3.68Å |
| 22 | K | 95.8 | Very high | 88.8 | Confident | 101 Ų | 101 | 52.8 Ų | 52.8 | 44% | 0.439 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 128.9 | 174.2 | -160.9 | 172.1 | -174.6 | 178.3 | 0 | 109.3 | F4 Q5 K24 G27 E28 | F4-K22 WeakPolarHBondContact CA-O 3.46Å; Q5-K22 PolarHBondContact N-O 3.32Å; Q5-K22 PolarHBondContact O-N 3.15Å; K22-K24 PolarHBondContact O-N 3.22Å; K22-G27 WeakPolarHBondContact CE-O 3.39Å; K22-G27 WeakPolarHBondContact CG-O 3.43Å; K22-E28 CarbonylContact C-O 3.57Å; K22-E28 WeakPolarHBondContact CA-O 3.47Å |
| 23 | N | 93.3 | Very high | 89.2 | Confident | 28 Ų | 28 | 48 Ų | 48 | 15% | 0.15 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 122.2 | 167.9 | -176.5 | -34.6 | 0 | 0 | 0 | 108.1 | F4 V25 T26 G27 E28 | F4-N23 HydrophobicContact CD1-CB 4.08Å; F4-N23 HydrophobicContact CE1-CB 3.86Å; N23-V25 VanDerWaalsContact C-N 3.26Å; N23-V25 PolarHBondContact O-N 2.76Å; N23-V25 PolarHBondContact OD1-N 3.39Å; N23-T26 VanDerWaalsContact CB-OG1 3.32Å; N23-T26 WeakPolarHBondContact CB-OG1 3.19Å; N23-T26 VanDerWaalsContact CG-OG1 3.26Å; N23-T26 PolarHBondContact ND2-OG1 3.35Å; N23-T26 PolarHBondContact OD1-N 2.84Å; N23-G27 WeakPolarHBondContact O-CA 3.48Å; N23-G27 PolarHBondContact O-N 3.34Å; N23-E28 PolarHBondContact N-O 3.03Å |
| 24 | K | 92.8 | Very high | 90.2 | Very high | 130 Ų | 130 | 49.5 Ų | 49.5 | 57% | 0.565 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -22.8 | -175.5 | -64.9 | -173.9 | -170.2 | 165.1 | 0 | 113.2 | E2 L3 Q5 K22 | E2-K24 VanDerWaalsContact O-CD 3.28Å; E2-K24 WeakPolarHBondContact O-CD 3.25Å; E2-K24 VanDerWaalsContact O-CE 3.27Å; E2-K24 WeakPolarHBondContact O-CE 3.32Å; E2-K24 PolarHBondContact O-NZ 3.48Å; L3-K24 PolarHBondContact O-N 3.38Å; Q5-K24 HydrophobicContact CB-CG 4.3Å; K22-K24 PolarHBondContact O-N 3.22Å |
| 25 | V | 91.4 | Very high | 91 | Very high | 115 Ų | 115 | 46.2 Ų | 46.2 | 70% | 0.697 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -51.4 | -179.2 | -178.5 | 0 | 0 | 0 | 0 | 110.4 | L3 N23 | L3-V25 HydrophobicContact CD2-CG2 3.93Å; N23-V25 VanDerWaalsContact C-N 3.26Å; N23-V25 PolarHBondContact O-N 2.76Å; N23-V25 PolarHBondContact OD1-N 3.39Å |
| 26 | T | 92.9 | Very high | 91.2 | Very high | 88 Ų | 88 | 49.2 Ų | 49.2 | 54% | 0.54 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | -17.1 | -175 | 65.3 | 0 | 0 | 0 | 0 | 113.4 | N23 E28 | N23-T26 VanDerWaalsContact CB-OG1 3.32Å; N23-T26 WeakPolarHBondContact CB-OG1 3.19Å; N23-T26 VanDerWaalsContact CG-OG1 3.26Å; N23-T26 PolarHBondContact ND2-OG1 3.35Å; N23-T26 PolarHBondContact OD1-N 2.84Å; T26-E28 PolarHBondContact O-N 2.86Å; T26-E28 VanDerWaalsContact OG1-CB 3.25Å; T26-E28 WeakPolarHBondContact OG1-CB 3.48Å; T26-E28 PolarHBondContact OG1-N 3.36Å |
| 27 | G | 92.3 | Very high | 90.8 | Very high | 35 Ų | 35 | 51.3 Ų | 51.3 | 36% | 0.361 | 26% | 0.262 | S | S | . | . | trans | 72.5 | 0.7 | -171 | 0 | 0 | 0 | 0 | 0 | 114.2 | K22 N23 | K22-G27 WeakPolarHBondContact CE-O 3.39Å; K22-G27 WeakPolarHBondContact CG-O 3.43Å; N23-G27 WeakPolarHBondContact O-CA 3.48Å; N23-G27 PolarHBondContact O-N 3.34Å | ||
| 28 | E | 93.8 | Very high | 89.6 | Confident | 104 Ų | 104 | 56.4 Ų | 56.4 | 49% | 0.486 | 29% | 0.288 | S | S | . | . | trans | -69 | 141.9 | -177.4 | -170.8 | 179 | -170.7 | 0 | 0 | 111.9 | K22 N23 T26 | K22-E28 CarbonylContact C-O 3.57Å; K22-E28 WeakPolarHBondContact CA-O 3.47Å; N23-E28 PolarHBondContact N-O 3.03Å; T26-E28 PolarHBondContact O-N 2.86Å; T26-E28 VanDerWaalsContact OG1-CB 3.25Å; T26-E28 WeakPolarHBondContact OG1-CB 3.48Å; T26-E28 PolarHBondContact OG1-N 3.36Å | ||
| 29 | T | 95.3 | Very high | 88 | Confident | 54 Ų | 54 | 57.9 Ų | 57.9 | 33% | 0.331 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 130 | 173.4 | -58.1 | 0 | 0 | 0 | 0 | 109.7 | K20 A21 F82 | K20-T29 HydrophobicContact CD-CG2 4.31Å; K20-T29 HydrophobicContact CG-CG2 3.75Å; A21-T29 CarbonylContact O-C 3.57Å; A21-T29 WeakPolarHBondContact O-CA 3.46Å; T29-F82 HydrophobicContact CG2-CB 3.94Å; T29-F82 HydrophobicContact CG2-CD1 3.8Å; T29-F82 HydrophobicContact CG2-CD2 4.23Å; T29-F82 HydrophobicContact CG2-CE1 4.39Å; T29-F82 HydrophobicContact CG2-CG 3.71Å; T29-F82 WeakPolarHBondContact O-CB 3.14Å |
| 30 | V | 95.5 | Very high | 86 | Confident | 3 Ų | 3 | 64.7 Ų | 64.7 | 2% | 0.018 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 159.9 | -177.5 | -61 | 0 | 0 | 0 | 0 | 111.1 | F4 A21 L32 V79 F80 | F4-V30 HydrophobicContact CD1-CG2 3.71Å; F4-V30 HydrophobicContact CE1-CG1 4.46Å; F4-V30 HydrophobicContact CE1-CG2 3.78Å; A21-V30 HydrophobicContact CB-CG2 4.01Å; A21-V30 PolarHBondContact N-O 3.37Å; A21-V30 PolarHBondContact O-N 3.5Å; V30-L32 HydrophobicContact CG2-CD2 4.43Å; V30-L32 HydrophobicContact CG2-CG 4.3Å; V30-V79 HydrophobicContact CB-CG1 3.99Å; V30-V79 HydrophobicContact CG1-CG1 4.15Å; V30-V79 HydrophobicContact CG2-CG1 4.08Å; V30-F80 WeakPolarHBondContact CA-O 3.44Å; V30-F80 WeakPolarHBondContact CB-O 3.28Å |
| 31 | A | 95.1 | Very high | 84.1 | Confident | 12 Ų | 12 | 68.3 Ų | 68.3 | 10% | 0.099 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 117.2 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | V18 Y19 F80 F82 | V18-A31 HydrophobicContact CG1-CB 4.24Å; Y19-A31 CarbonylContact O-C 3.49Å; Y19-A31 WeakPolarHBondContact O-CA 3.23Å; A31-F80 HydrophobicContact CB-CB 4.27Å; A31-F80 PolarHBondContact N-O 3.2Å; A31-F80 PolarHBondContact O-N 3.15Å; A31-F82 HydrophobicContact CB-CD2 4.48Å |
| 32 | L | 93.3 | Very high | 82.4 | Confident | 4 Ų | 4 | 76.3 Ų | 76.3 | 2% | 0.021 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 107.6 | 175 | -71.2 | -179.4 | 0 | 0 | 0 | 110.4 | F4 V18 Y19 A21 V30 V79 | F4-L32 HydrophobicContact CB-CD1 3.84Å; F4-L32 HydrophobicContact CD1-CD2 4.5Å; F4-L32 HydrophobicContact CG-CD1 4.25Å; F4-L32 HydrophobicContact CG-CD2 4.36Å; V18-L32 WeakPolarHBondContact CA-O 3.48Å; Y19-L32 PolarHBondContact N-O 3.39Å; Y19-L32 PolarHBondContact O-N 2.96Å; A21-L32 HydrophobicContact CB-CB 4.49Å; A21-L32 HydrophobicContact CB-CD1 3.35Å; A21-L32 HydrophobicContact CB-CG 3.68Å; V30-L32 HydrophobicContact CG2-CD2 4.43Å; V30-L32 HydrophobicContact CG2-CG 4.3Å; L32-V79 HydrophobicContact CD2-CB 4.17Å; L32-V79 HydrophobicContact CD2-CG1 4.09Å; L32-V79 HydrophobicContact CD2-CG2 3.63Å |
| 33 | K | 90.7 | Very high | 80.9 | Confident | 7 Ų | 7 | 72.3 Ų | 72.3 | 3% | 0.03 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 107.6 | 173.2 | -171.4 | 167 | -178.8 | 167.1 | 0 | 109.9 | V18 I35 Y77 L78 F80 D144 L147 | V18-K33 HydrophobicContact CG2-CB 4.31Å; V18-K33 HydrophobicContact CG2-CD 4.21Å; V18-K33 HydrophobicContact CG2-CG 4Å; K33-I35 HydrophobicContact CD-CD1 4.46Å; K33-I35 HydrophobicContact CG-CD1 4.14Å; K33-I35 PolarHBondContact O-N 3.06Å; K33-Y77 WeakPolarHBondContact O-CA 3.48Å; K33-L78 HydrophobicContact CB-CB 4.37Å; K33-L78 PolarHBondContact N-O 3.09Å; K33-L78 PolarHBondContact O-N 2.8Å; K33-F80 HydrophobicContact CB-CD2 4.37Å; K33-F80 HydrophobicContact CB-CE2 4.08Å; K33-F80 HydrophobicContact CD-CE2 4.35Å; K33-D144 IonicContact NZ-OD1 3.45Å; K33-D144 PolarHBondContact NZ-OD1 3.42Å; K33-D144 IonicContact NZ-OD2 2.64Å; K33-D144 PolarHBondContact NZ-OD2 2.85Å; K33-L147 HydrophobicContact CD-CD1 4.18Å |
| 34 | K | 89.1 | Confident | 79.6 | Confident | 73 Ų | 73 | 71.7 Ų | 71.7 | 32% | 0.317 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 114.9 | 170.6 | -174.5 | -170.1 | 176.9 | -163.3 | 0 | 108.3 | G16 V17 Y19 Y77 | G16-K34 WeakPolarHBondContact CA-O 3.43Å; V17-K34 PolarHBondContact N-O 3.49Å; V17-K34 PolarHBondContact O-N 3.38Å; Y19-K34 HydrophobicContact CE2-CB 4.35Å; K34-Y77 HydrophobicContact CB-CD1 3.8Å; K34-Y77 HydrophobicContact CB-CE1 3.57Å; K34-Y77 HydrophobicContact CD-CE1 4.1Å; K34-Y77 HydrophobicContact CG-CD1 4.11Å; K34-Y77 HydrophobicContact CG-CE1 3.58Å |
| 35 | I | 84.7 | Confident | 78.4 | Confident | 6 Ų | 6 | 68.5 Ų | 68.5 | 3% | 0.031 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 137.1 | 177.3 | -54.1 | -60.4 | 0 | 0 | 0 | 109.7 | Y15 K33 L37 L76 L78 F151 | Y15-I35 WeakPolarHBondContact O-CA 3.34Å; K33-I35 HydrophobicContact CD-CD1 4.46Å; K33-I35 HydrophobicContact CG-CD1 4.14Å; K33-I35 PolarHBondContact O-N 3.06Å; I35-L37 HydrophobicContact CG2-CD2 4.14Å; I35-L76 HydrophobicContact CB-CB 4.18Å; I35-L76 HydrophobicContact CB-CD2 4.34Å; I35-L76 HydrophobicContact CB-CG 4.47Å; I35-L76 HydrophobicContact CG1-CB 4.32Å; I35-L76 HydrophobicContact CG1-CD2 4Å; I35-L76 HydrophobicContact CG1-CG 4.1Å; I35-L76 PolarHBondContact N-O 3.18Å; I35-L78 HydrophobicContact CD1-CD1 3.76Å; I35-L78 HydrophobicContact CD1-CG 4.03Å; I35-L78 HydrophobicContact CG1-CD1 4.3Å; I35-L78 HydrophobicContact CG1-CG 4.11Å; I35-F151 HydrophobicContact CB-CZ 4.25Å; I35-F151 HydrophobicContact CD1-CE2 3.97Å; I35-F151 HydrophobicContact CD1-CZ 3.99Å; I35-F151 HydrophobicContact CG1-CE2 4.26Å; I35-F151 HydrophobicContact CG1-CZ 3.77Å; I35-F151 HydrophobicContact CG2-CD1 4.3Å; I35-F151 HydrophobicContact CG2-CD2 4.47Å; I35-F151 HydrophobicContact CG2-CE1 3.76Å; I35-F151 HydrophobicContact CG2-CE2 3.97Å; I35-F151 HydrophobicContact CG2-CZ 3.58Å |
| 36 | R | 75.9 | Confident | 77.2 | Confident | 119 Ų | 119 | 67.6 Ų | 67.6 | 45% | 0.449 | 37% | 0.372 | S | S | . | . | trans | -79 | 123.2 | 166.7 | -77.9 | 174.6 | 178.9 | 171.4 | 0.2 | 108.6 | E12 Y15 | E12-R36 VanDerWaalsContact CD-NH2 3.34Å; E12-R36 IonicContact OE1-CZ 3.67Å; E12-R36 IonicContact OE1-NH1 3.13Å; E12-R36 IonicContact OE1-NH2 2.63Å; E12-R36 PolarHBondContact OE1-NH2 3.38Å; Y15-R36 PolarHBondContact O-N 2.84Å | ||
| 37 | L | 72.3 | Confident | 76 | Confident | 45 Ų | 45 | 67.7 Ų | 67.7 | 24% | 0.236 | 37% | 0.372 | C | S | . | . | trans | -105 | 122.1 | 174.5 | -59.4 | 171.6 | 0 | 0 | 0 | 106.4 | I35 T39 V44 | I35-L37 HydrophobicContact CG2-CD2 4.14Å; L37-T39 VanDerWaalsContact C-N 3.28Å; L37-V44 HydrophobicContact CD1-CG2 3.52Å; L37-V44 HydrophobicContact CD2-CG2 3.75Å; L37-V44 HydrophobicContact CG-CG2 4.29Å | ||
| 38 | D | 63.2 | Low | 74.9 | Confident | 123 Ų | 123 | 66 Ų | 66 | 66% | 0.658 | 36% | 0.355 | S | S | * | . | trans | -82.7 | -6.3 | -177.4 | -71.4 | -23.3 | 0 | 0 | 0 | 112.3 | ||||
| 39 | T | 56.6 | Low | 73.8 | Confident | 62 Ų | 62 | 63.4 Ų | 63.4 | 38% | 0.38 | 34% | 0.344 | S | S | . | . | trans | -105.4 | 105 | -178.5 | 37.4 | 0 | 0 | 0 | 0 | 111.5 | L37 T41 G43 | L37-T39 VanDerWaalsContact C-N 3.28Å; T39-T41 PolarHBondContact O-N 3.35Å; T39-G43 PolarHBondContact OG1-O 2.85Å | ||
| 40 | E | 52.8 | Low | 72.5 | Confident | 196 Ų | 196 | 69.9 Ų | 69.9 | 92% | 0.916 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -10.8 | 170 | -72 | -160 | 156 | 0 | 0 | 113.2 | ||
| 41 | T | 54.5 | Low | 71.3 | Confident | 130 Ų | 130 | 72.7 Ų | 72.7 | 80% | 0.798 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.6 | -23.3 | -167.9 | 47.1 | 0 | 0 | 0 | 0 | 116.6 | T39 | T39-T41 PolarHBondContact O-N 3.35Š|
| 42 | E | 59.2 | Low | 70.4 | Confident | 167 Ų | 167 | 72.1 Ų | 72.1 | 78% | 0.78 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.6 | 3.1 | -172.2 | -67 | -166 | 165.7 | 0 | 0 | 115.1 | ||
| 43 | G | 64.6 | Low | 69.3 | Low | 18 Ų | 18 | 74.4 Ų | 74.4 | 19% | 0.186 | 39% | 0.387 | C | S | . | . | trans | 63.4 | -157.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | T39 | T39-G43 PolarHBondContact OG1-O 2.85Š| ||
| 44 | V | 65.7 | Low | 68.2 | Low | 15 Ų | 15 | 78.4 Ų | 78.4 | 9% | 0.091 | 41% | 0.408 | C | S | . | . | S | Bend | trans | -83.7 | 126.8 | 177.8 | -171.7 | 0 | 0 | 0 | 0 | 109.9 | L37 S46 A48 I49 L76 | L37-V44 HydrophobicContact CD1-CG2 3.52Å; L37-V44 HydrophobicContact CD2-CG2 3.75Å; L37-V44 HydrophobicContact CG-CG2 4.29Å; V44-S46 PolarHBondContact O-N 3.31Å; V44-A48 HydrophobicContact CG1-CB 4.17Å; V44-I49 HydrophobicContact CB-CD1 4.17Å; V44-I49 HydrophobicContact CB-CG1 4.36Å; V44-I49 HydrophobicContact CG1-CD1 4.14Å; V44-I49 HydrophobicContact CG1-CG1 3.79Å; V44-L76 HydrophobicContact CG1-CD2 3.99Å; V44-L76 HydrophobicContact CG2-CB 4Å; V44-L76 HydrophobicContact CG2-CD2 4.31Å |
| 45 | P | 67 | Low | 67.5 | Low | 63 Ų | 63 | 76.1 Ų | 76.1 | 41% | 0.409 | 40% | 0.399 | S | S | . | . | trans | -55.8 | 133.9 | 173.5 | -24.5 | 33.5 | 0 | 0 | 0 | 111.6 | T47 A48 I49 | P45-T47 PolarHBondContact O-N 3.17Å; P45-A48 HydrophobicContact CB-CB 4.32Å; P45-A48 WeakPolarHBondContact O-CB 3.27Å; P45-A48 PolarHBondContact O-N 2.9Å; P45-I49 PolarHBondContact O-N 3.48Å | ||
| 46 | S | 67.7 | Low | 67.2 | Low | 96 Ų | 96 | 80.4 Ų | 80.4 | 67% | 0.671 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -60 | -28.9 | 178.2 | 59.3 | 0 | 0 | 0 | 0 | 112.6 | V44 I49 R50 | V44-S46 PolarHBondContact O-N 3.31Å; S46-I49 PolarHBondContact O-N 2.88Å; S46-R50 WeakPolarHBondContact O-CB 3.28Å; S46-R50 PolarHBondContact O-N 3.49Å |
| 47 | T | 66.3 | Low | 67.3 | Low | 90 Ų | 90 | 81.8 Ų | 81.8 | 55% | 0.552 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -62.1 | -41.8 | 171.6 | 49.9 | 0 | 0 | 0 | 0 | 112 | P45 R50 E51 | P45-T47 PolarHBondContact O-N 3.17Å; T47-R50 PolarHBondContact O-N 2.91Å; T47-E51 WeakPolarHBondContact O-CG 3.42Å; T47-E51 PolarHBondContact O-N 2.85Å |
| 48 | A | 69.2 | Low | 67.8 | Low | 0 Ų | 0 | 80.4 Ų | 80.4 | 0% | 0 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -65.8 | -43.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | V44 P45 R50 E51 I52 A150 F151 | V44-A48 HydrophobicContact CG1-CB 4.17Å; P45-A48 HydrophobicContact CB-CB 4.32Å; P45-A48 WeakPolarHBondContact O-CB 3.27Å; P45-A48 PolarHBondContact O-N 2.9Å; A48-R50 VanDerWaalsContact C-N 3.28Å; A48-R50 PolarHBondContact O-N 3.39Å; A48-E51 PolarHBondContact O-N 2.84Å; A48-I52 WeakPolarHBondContact O-CB 3.35Å; A48-I52 VanDerWaalsContact O-CD1 3.28Å; A48-I52 WeakPolarHBondContact O-CD1 3.48Å; A48-I52 WeakPolarHBondContact O-CG1 3.46Å; A48-I52 PolarHBondContact O-N 2.95Å; A48-A150 WeakPolarHBondContact CA-O 3.3Å; A48-A150 WeakPolarHBondContact CB-O 3.32Å; A48-F151 HydrophobicContact CB-CD1 3.85Å; A48-F151 HydrophobicContact CB-CE1 4.13Å |
| 49 | I | 72.3 | Confident | 69.2 | Low | 49 Ų | 49 | 78.7 Ų | 78.7 | 25% | 0.251 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -60.1 | -41.6 | 175 | -66.4 | 164.8 | 0 | 0 | 0 | 110.5 | V44 P45 S46 I52 S53 | V44-I49 HydrophobicContact CB-CD1 4.17Å; V44-I49 HydrophobicContact CB-CG1 4.36Å; V44-I49 HydrophobicContact CG1-CD1 4.14Å; V44-I49 HydrophobicContact CG1-CG1 3.79Å; P45-I49 PolarHBondContact O-N 3.48Å; S46-I49 PolarHBondContact O-N 2.88Å; I49-I52 PolarHBondContact O-N 2.91Å; I49-S53 WeakPolarHBondContact O-CB 3.32Å; I49-S53 PolarHBondContact O-N 2.86Å; I49-S53 PolarHBondContact O-OG 2.93Å |
| 50 | R | 67.9 | Low | 71 | Confident | 190 Ų | 190 | 77.7 Ų | 77.7 | 72% | 0.717 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -63.8 | -47.3 | 177.1 | -172.4 | 176.9 | -177.8 | 171.9 | 1.4 | 111.8 | S46 T47 A48 I52 S53 L54 | S46-R50 WeakPolarHBondContact O-CB 3.28Å; S46-R50 PolarHBondContact O-N 3.49Å; T47-R50 PolarHBondContact O-N 2.91Å; A48-R50 VanDerWaalsContact C-N 3.28Å; A48-R50 PolarHBondContact O-N 3.39Å; R50-I52 VanDerWaalsContact C-N 3.35Å; R50-I52 PolarHBondContact O-N 2.99Å; R50-S53 WeakPolarHBondContact O-CB 3.24Å; R50-S53 PolarHBondContact O-N 3.28Å; R50-L54 WeakPolarHBondContact O-CG 3.47Å; R50-L54 PolarHBondContact O-N 3.07Å |
| 51 | E | 70.1 | Confident | 73.1 | Confident | 61 Ų | 61 | 72.7 Ų | 72.7 | 29% | 0.285 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -64.3 | -38.4 | 178.5 | -72.3 | -160.9 | -168.7 | 0 | 0 | 112.5 | T47 A48 S53 L54 L55 R149 A150 | T47-E51 WeakPolarHBondContact O-CG 3.42Å; T47-E51 PolarHBondContact O-N 2.85Å; A48-E51 PolarHBondContact O-N 2.84Å; E51-S53 VanDerWaalsContact C-N 3.33Å; E51-L54 WeakPolarHBondContact O-CB 3.19Å; E51-L54 PolarHBondContact O-N 3.44Å; E51-L55 PolarHBondContact O-N 3.22Å; E51-R149 VanDerWaalsContact OE2-C 3.26Å; E51-R149 WeakPolarHBondContact OE2-CG 3.46Å; E51-R149 IonicContact OE2-NE 3.9Å; E51-A150 HydrophobicContact CB-CB 3.51Å; E51-A150 WeakPolarHBondContact OE2-CA 3.31Å; E51-A150 PolarHBondContact OE2-N 3.19Å; E51-A150 VanDerWaalsContact OE2-N 3.12Å |
| 52 | I | 75.8 | Confident | 75.2 | Confident | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -66.2 | -38 | 173.1 | -66.2 | 161 | 0 | 0 | 0 | 111.1 | A48 I49 R50 L54 L55 K56 L66 V69 L76 L78 A150 F151 | A48-I52 WeakPolarHBondContact O-CB 3.35Å; A48-I52 VanDerWaalsContact O-CD1 3.28Å; A48-I52 WeakPolarHBondContact O-CD1 3.48Å; A48-I52 WeakPolarHBondContact O-CG1 3.46Å; A48-I52 PolarHBondContact O-N 2.95Å; I49-I52 PolarHBondContact O-N 2.91Å; R50-I52 VanDerWaalsContact C-N 3.35Å; R50-I52 PolarHBondContact O-N 2.99Å; I52-L54 VanDerWaalsContact C-N 3.26Å; I52-L54 PolarHBondContact O-N 3.36Å; I52-L55 WeakPolarHBondContact O-CA 3.01Å; I52-L55 VanDerWaalsContact O-CB 3.23Å; I52-L55 WeakPolarHBondContact O-CB 3.47Å; I52-L55 PolarHBondContact O-N 3.1Å; I52-K56 PolarHBondContact O-N 3.35Å; I52-L66 HydrophobicContact CG2-CD2 3.85Å; I52-L66 WeakPolarHBondContact O-CD2 3.4Å; I52-V69 HydrophobicContact CG2-CG1 4.37Å; I52-V69 HydrophobicContact CG2-CG2 3.67Å; I52-L76 HydrophobicContact CD1-CD2 3.78Å; I52-L78 HydrophobicContact CD1-CD2 4.35Å; I52-L78 HydrophobicContact CG2-CD2 3.55Å; I52-A150 HydrophobicContact CG1-CB 4.05Å; I52-F151 HydrophobicContact CD1-CE1 3.66Å; I52-F151 HydrophobicContact CD1-CE2 4.03Å; I52-F151 HydrophobicContact CD1-CZ 3.25Å; I52-F151 HydrophobicContact CG1-CZ 4.2Å |
| 53 | S | 69.5 | Low | 76.9 | Confident | 52 Ų | 52 | 59.1 Ų | 59.1 | 36% | 0.364 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -64.6 | -33.9 | 178.1 | -60.3 | 0 | 0 | 0 | 0 | 111.4 | I49 R50 E51 L55 K56 | I49-S53 WeakPolarHBondContact O-CB 3.32Å; I49-S53 PolarHBondContact O-N 2.86Å; I49-S53 PolarHBondContact O-OG 2.93Å; R50-S53 WeakPolarHBondContact O-CB 3.24Å; R50-S53 PolarHBondContact O-N 3.28Å; E51-S53 VanDerWaalsContact C-N 3.33Å; S53-L55 PolarHBondContact O-N 2.7Å; S53-K56 VanDerWaalsContact O-CB 3.29Å; S53-K56 WeakPolarHBondContact O-CB 3.29Å; S53-K56 PolarHBondContact O-N 2.85Å |
| 54 | L | 68.9 | Low | 78.3 | Confident | 91 Ų | 91 | 58.9 Ų | 58.9 | 48% | 0.476 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -64.4 | -27.8 | 170.7 | -64.6 | 172.8 | 0 | 0 | 0 | 112.4 | R50 E51 I52 K56 E57 | R50-L54 WeakPolarHBondContact O-CG 3.47Å; R50-L54 PolarHBondContact O-N 3.07Å; E51-L54 WeakPolarHBondContact O-CB 3.19Å; E51-L54 PolarHBondContact O-N 3.44Å; I52-L54 VanDerWaalsContact C-N 3.26Å; I52-L54 PolarHBondContact O-N 3.36Å; L54-K56 PolarHBondContact O-N 3.08Å; L54-E57 WeakPolarHBondContact O-CB 3.34Å; L54-E57 PolarHBondContact O-N 3.47Å; L54-E57 VanDerWaalsContact O-N 3.15Å |
| 55 | L | 72.6 | Confident | 79.6 | Confident | 25 Ų | 25 | 63.7 Ų | 63.7 | 13% | 0.131 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -67.2 | -22.2 | 172.5 | -57.4 | 174.5 | 0 | 0 | 0 | 112.3 | E51 I52 S53 E57 L58 L66 F145 L147 | E51-L55 PolarHBondContact O-N 3.22Å; I52-L55 WeakPolarHBondContact O-CA 3.01Å; I52-L55 VanDerWaalsContact O-CB 3.23Å; I52-L55 WeakPolarHBondContact O-CB 3.47Å; I52-L55 PolarHBondContact O-N 3.1Å; S53-L55 PolarHBondContact O-N 2.7Å; L55-E57 PolarHBondContact O-N 3.07Å; L55-L58 HydrophobicContact CD2-CD1 3.76Å; L55-L58 PolarHBondContact O-N 3.36Å; L55-L66 HydrophobicContact CB-CD2 4.06Å; L55-F145 WeakPolarHBondContact CD1-O 3.32Å; L55-F145 HydrophobicContact CD2-CB 4.13Å; L55-L147 HydrophobicContact CD1-CD2 4.34Å |
| 56 | K | 78.5 | Confident | 80.7 | Confident | 96 Ų | 96 | 61.1 Ų | 61.1 | 42% | 0.417 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -25 | 172.9 | -62.8 | -173.3 | 72.5 | 169.7 | 0 | 112.2 | I52 S53 L54 L58 L66 D68 V69 | I52-K56 PolarHBondContact O-N 3.35Å; S53-K56 VanDerWaalsContact O-CB 3.29Å; S53-K56 WeakPolarHBondContact O-CB 3.29Å; S53-K56 PolarHBondContact O-N 2.85Å; L54-K56 PolarHBondContact O-N 3.08Å; K56-L58 VanDerWaalsContact C-N 3.3Å; K56-L66 HydrophobicContact CG-CD2 3.67Å; K56-L66 HydrophobicContact CG-CG 3.98Å; K56-D68 IonicContact NZ-OD1 3.79Å; K56-V69 HydrophobicContact CD-CG2 4.36Å |
| 57 | E | 78.5 | Confident | 81.8 | Confident | 148 Ų | 148 | 58.7 Ų | 58.7 | 69% | 0.692 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -15.1 | 178.1 | -59.8 | -179.6 | -180 | 0 | 0 | 112.3 | L54 L55 S59 | L54-E57 WeakPolarHBondContact O-CB 3.34Å; L54-E57 PolarHBondContact O-N 3.47Å; L54-E57 VanDerWaalsContact O-N 3.15Å; L55-E57 PolarHBondContact O-N 3.07Å; E57-S59 VanDerWaalsContact C-N 3.31Å; E57-S59 PolarHBondContact O-N 3.01Å |
| 58 | L | 83.5 | Confident | 82.8 | Confident | 16 Ų | 16 | 57.6 Ų | 57.6 | 8% | 0.084 | 29% | 0.294 | C | S | . | . | trans | -77 | 81.6 | 174.4 | -63 | 178 | 0 | 0 | 0 | 110.6 | L55 K56 F116 H120 V122 | L55-L58 HydrophobicContact CD2-CD1 3.76Å; L55-L58 PolarHBondContact O-N 3.36Å; K56-L58 VanDerWaalsContact C-N 3.3Å; L58-F116 HydrophobicContact CB-CE1 4.33Å; L58-F116 HydrophobicContact CD2-CE1 3.79Å; L58-H120 HydrophobicContact CD2-CB 4.41Å; L58-V122 HydrophobicContact CD1-CG1 4.16Å; L58-V122 HydrophobicContact CD1-CG2 4.29Å; L58-V122 HydrophobicContact CD2-CG2 4.14Å | ||
| 59 | S | 91.2 | Very high | 83.8 | Confident | 88 Ų | 88 | 59.1 Ų | 59.1 | 62% | 0.615 | 30% | 0.303 | S | S | * | . | trans | -104.5 | 107.2 | 176.1 | -162.9 | 0 | 0 | 0 | 0 | 111.1 | E57 | E57-S59 VanDerWaalsContact C-N 3.31Å; E57-S59 PolarHBondContact O-N 3.01Å | ||
| 60 | H | 95.5 | Very high | 84.5 | Confident | 40 Ų | 40 | 58.2 Ų | 58.2 | 19% | 0.185 | 30% | 0.298 | C | S | . | . | trans | -150.7 | 144.3 | 177 | -174.5 | -93.2 | 0 | 0 | 0 | 109.9 | N62 I63 F116 | H60-N62 PolarHBondContact CE1-OD1 2.99Å; H60-N62 PolarHBondContact ND1-N 3.47Å; H60-N62 PolarHBondContact O-N 3.11Å; H60-N62 VanDerWaalsContact O-N 3.11Å; H60-I63 HydrophobicContact CB-CB 4.17Å; H60-I63 HydrophobicContact CB-CD1 3.76Å; H60-I63 HydrophobicContact CB-CG1 3.97Å; H60-I63 PolarHBondContact O-N 3.21Å; H60-F116 HydrophobicContact CB-CD1 3.89Å; H60-F116 HydrophobicContact CB-CD2 4.34Å; H60-F116 HydrophobicContact CB-CE1 4.14Å; H60-F116 HydrophobicContact CB-CG 3.99Å; H60-F116 HydrophobicContact CB-CZ 4.47Å; H60-F116 AromaticContact CD2-CD2 3.87Å; H60-F116 AromaticContact CD2-CG 3.83Å | ||
| 61 | P | 97.2 | Very high | 85.2 | Confident | 91 Ų | 91 | 53.6 Ų | 53.6 | 59% | 0.591 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | -34 | -179.6 | -29 | 36.3 | 0 | 0 | 0 | 114.4 | K141 | P61-K141 VanDerWaalsContact O-CD 3.32Å; P61-K141 WeakPolarHBondContact O-CD 3.19Å; P61-K141 WeakPolarHBondContact O-CE 3.37Å; P61-K141 WeakPolarHBondContact O-CG 3.24Å; P61-K141 PolarHBondContact O-NZ 3.08Å |
| 62 | N | 97.6 | Very high | 85.7 | Confident | 8 Ų | 8 | 53.6 Ų | 53.6 | 4% | 0.043 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | 21 | -179.2 | -50.3 | 106.7 | 0 | 0 | 0 | 114.4 | H60 Q109 I140 K141 L142 | H60-N62 PolarHBondContact CE1-OD1 2.99Å; H60-N62 PolarHBondContact ND1-N 3.47Å; H60-N62 PolarHBondContact O-N 3.11Å; H60-N62 VanDerWaalsContact O-N 3.11Å; N62-Q109 WeakPolarHBondContact CB-O 3.47Å; N62-Q109 VanDerWaalsContact CG-O 3.25Å; N62-Q109 VanDerWaalsContact ND2-CB 3.32Å; N62-Q109 WeakPolarHBondContact ND2-CB 3.3Å; N62-Q109 WeakPolarHBondContact ND2-CG 3.4Å; N62-Q109 PolarHBondContact ND2-OE1 3.04Å; N62-Q109 VanDerWaalsContact ND2-OE1 3.08Å; N62-Q109 PolarHBondContact OD1-O 3.43Å; N62-I140 PolarHBondContact ND2-O 2.76Å; N62-I140 VanDerWaalsContact ND2-O 3.1Å; N62-K141 WeakPolarHBondContact O-CA 3.47Å; N62-L142 WeakPolarHBondContact O-CG 3.42Å; N62-L142 PolarHBondContact O-N 3.37Å |
| 63 | I | 94.9 | Very high | 85.7 | Confident | 4 Ų | 4 | 61.9 Ų | 61.9 | 2% | 0.021 | 33% | 0.328 | C | S | . | . | B | Isolated β-bridge | trans | -125.2 | 132.6 | 173.3 | -65.6 | 176.2 | 0 | 0 | 0 | 107.7 | H60 K65 F116 C117 L142 F145 | H60-I63 HydrophobicContact CB-CB 4.17Å; H60-I63 HydrophobicContact CB-CD1 3.76Å; H60-I63 HydrophobicContact CB-CG1 3.97Å; H60-I63 PolarHBondContact O-N 3.21Å; I63-K65 PolarHBondContact O-N 3.38Å; I63-F116 HydrophobicContact CD1-CD1 3.46Å; I63-F116 VanDerWaalsContact CD1-CD1 3.46Å; I63-F116 HydrophobicContact CD1-CE1 3.97Å; I63-F116 HydrophobicContact CD1-CG 4.44Å; I63-C117 WeakPolarHBondContact CD1-SG 3.12Å; I63-L142 HydrophobicContact CG1-CD1 4.49Å; I63-F145 HydrophobicContact CB-CE2 4.24Å; I63-F145 HydrophobicContact CD1-CE2 4.34Å; I63-F145 HydrophobicContact CD1-CZ 4.28Å; I63-F145 HydrophobicContact CG1-CE2 3.91Å; I63-F145 HydrophobicContact CG1-CZ 4.12Å; I63-F145 HydrophobicContact CG2-CD2 4Å; I63-F145 HydrophobicContact CG2-CE2 3.65Å |
| 64 | V | 94.1 | Very high | 86 | Confident | 14 Ų | 14 | 65.1 Ų | 65.1 | 9% | 0.085 | 34% | 0.341 | C | S | . | . | trans | -64.1 | 119.3 | 176.9 | 177.3 | 0 | 0 | 0 | 0 | 109.3 | L66 F80 E81 L83 L133 K141 L142 A143 | V64-L66 PolarHBondContact O-N 3.42Å; V64-F80 HydrophobicContact CG1-CB 3.91Å; V64-F80 HydrophobicContact CG1-CD1 3.85Å; V64-F80 HydrophobicContact CG1-CG 4.19Å; V64-E81 HydrophobicContact CG1-CG 3.89Å; V64-L83 HydrophobicContact CG2-CD1 4.09Å; V64-L133 HydrophobicContact CG2-CD1 3.94Å; V64-L133 HydrophobicContact CG2-CG 4.42Å; V64-K141 HydrophobicContact CG2-CB 3.7Å; V64-L142 WeakPolarHBondContact CG2-O 3.46Å; V64-L142 PolarHBondContact N-O 3.03Å; V64-A143 HydrophobicContact CB-CB 4.33Å; V64-A143 HydrophobicContact CG2-CB 3.7Å | ||
| 65 | K | 92.4 | Very high | 86.6 | Confident | 115 Ų | 115 | 65 Ų | 65 | 50% | 0.5 | 34% | 0.337 | S | S | . | . | trans | -69.1 | 122.5 | -178.2 | -173.5 | 176.1 | 180 | 179.7 | 0 | 111.3 | I63 C67 F80 E81 | I63-K65 PolarHBondContact O-N 3.38Å; K65-C67 PolarHBondContact O-N 2.83Å; K65-F80 VanDerWaalsContact O-CA 3.3Å; K65-F80 WeakPolarHBondContact O-CA 3.19Å; K65-E81 HydrophobicContact CB-CB 4.46Å; K65-E81 HydrophobicContact CB-CG 4.1Å; K65-E81 WeakPolarHBondContact CB-OE1 3.38Å; K65-E81 PolarHBondContact N-OE1 2.91Å; K65-E81 PolarHBondContact O-N 2.9Å; K65-E81 VanDerWaalsContact O-N 3.09Å | ||
| 66 | L | 91.2 | Very high | 87.2 | Confident | 10 Ų | 10 | 63.9 Ų | 63.9 | 5% | 0.052 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 101.1 | 163.5 | 179.5 | 62.2 | 0 | 0 | 0 | 108.7 | I52 L55 K56 V64 D68 V69 L78 F80 | I52-L66 HydrophobicContact CG2-CD2 3.85Å; I52-L66 WeakPolarHBondContact O-CD2 3.4Å; L55-L66 HydrophobicContact CB-CD2 4.06Å; K56-L66 HydrophobicContact CG-CD2 3.67Å; K56-L66 HydrophobicContact CG-CG 3.98Å; V64-L66 PolarHBondContact O-N 3.42Å; L66-D68 WeakPolarHBondContact CD1-O 3.07Å; L66-V69 HydrophobicContact CD1-CG2 4.34Å; L66-V69 HydrophobicContact CD2-CG2 3.96Å; L66-V69 HydrophobicContact CG-CG2 4.36Å; L66-L78 HydrophobicContact CD1-CB 3.91Å; L66-L78 HydrophobicContact CD1-CD2 4.42Å; L66-F80 HydrophobicContact CB-CD1 4.14Å; L66-F80 HydrophobicContact CB-CE1 3.9Å; L66-F80 HydrophobicContact CD1-CD1 4.09Å; L66-F80 HydrophobicContact CD1-CE1 3.74Å; L66-F80 HydrophobicContact CD1-CE2 4.39Å; L66-F80 HydrophobicContact CD1-CZ 3.9Å; L66-F80 HydrophobicContact CG-CE1 4.36Å |
| 67 | C | 90.3 | Very high | 87.7 | Confident | 45 Ų | 45 | 59.6 Ų | 59.6 | 30% | 0.304 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | -46.2 | -179.3 | -61 | 0 | 0 | 0 | 0 | 111.2 | K65 V79 | K65-C67 PolarHBondContact O-N 2.83Å; C67-V79 WeakPolarHBondContact CA-O 3.45Å; C67-V79 HydrophobicContact CB-CB 4.5Å; C67-V79 HydrophobicContact CB-CG1 4.28Å; C67-V79 WeakPolarHBondContact CB-O 3.47Å; C67-V79 PolarHBondContact N-O 3.19Å |
| 68 | D | 88.6 | Confident | 88.2 | Confident | 67 Ų | 67 | 52.6 Ų | 52.6 | 36% | 0.358 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 162 | -175 | -155.4 | 10.7 | 0 | 0 | 0 | 113.8 | K56 L66 V79 | K56-D68 IonicContact NZ-OD1 3.79Å; L66-D68 WeakPolarHBondContact CD1-O 3.07Å; D68-V79 HydrophobicContact CB-CB 3.98Å; D68-V79 HydrophobicContact CB-CG2 3.92Å; D68-V79 PolarHBondContact N-O 2.82Å; D68-V79 PolarHBondContact O-N 3.02Å |
| 69 | V | 88.3 | Confident | 88.6 | Confident | 31 Ų | 31 | 51.9 Ų | 51.9 | 19% | 0.188 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 114.3 | 178.1 | -178.2 | 0 | 0 | 0 | 0 | 108.2 | I52 K56 L66 L76 L78 | I52-V69 HydrophobicContact CG2-CG1 4.37Å; I52-V69 HydrophobicContact CG2-CG2 3.67Å; K56-V69 HydrophobicContact CD-CG2 4.36Å; L66-V69 HydrophobicContact CD1-CG2 4.34Å; L66-V69 HydrophobicContact CD2-CG2 3.96Å; L66-V69 HydrophobicContact CG-CG2 4.36Å; V69-L76 HydrophobicContact CG1-CD1 3.68Å; V69-L78 HydrophobicContact CG1-CD2 4.01Å; V69-L78 HydrophobicContact CG2-CD2 4.07Å |
| 70 | I | 87.3 | Confident | 88.7 | Confident | 31 Ų | 31 | 48.9 Ų | 48.9 | 16% | 0.159 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 111.6 | -178.8 | -50.2 | 169.2 | 0 | 0 | 0 | 108.2 | F4 Y77 V79 | F4-I70 HydrophobicContact CD2-CD1 3.83Å; F4-I70 HydrophobicContact CE2-CD1 3.57Å; I70-Y77 PolarHBondContact N-O 3.27Å; I70-Y77 PolarHBondContact O-N 3.37Å; I70-V79 HydrophobicContact CD1-CG2 3.71Å; I70-V79 HydrophobicContact CG1-CG2 4Å |
| 71 | H | 84.3 | Confident | 88.6 | Confident | 92 Ų | 92 | 48.8 Ų | 48.8 | 43% | 0.426 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 127.9 | 172.5 | -175.3 | -136.8 | 0 | 0 | 0 | 109.8 | L76 | H71-L76 HydrophobicContact CB-CD1 4.19Å |
| 72 | T | 80.5 | Confident | 88.5 | Confident | 61 Ų | 61 | 46.5 Ų | 46.5 | 37% | 0.374 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 160 | 168.7 | 54.1 | 0 | 0 | 0 | 0 | 107.1 | N74 K75 | T72-N74 PolarHBondContact O-N 3.41Å; T72-K75 PolarHBondContact N-O 3.37Å; T72-K75 PolarHBondContact O-N 3.28Å; T72-K75 VanDerWaalsContact O-O 3.09Å; T72-K75 WeakPolarHBondContact OG1-CB 3.48Å; T72-K75 PolarHBondContact OG1-O 2.88Å; T72-K75 VanDerWaalsContact OG1-O 3.07Å |
| 73 | E | 74.4 | Confident | 88.3 | Confident | 174 Ų | 174 | 46.8 Ų | 46.8 | 81% | 0.813 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -33.5 | -50.9 | -168 | -67.6 | 176.1 | 176.2 | 0 | 0 | 115.1 | ||
| 74 | N | 75.9 | Confident | 88.1 | Confident | 120 Ų | 120 | 50.7 Ų | 50.7 | 64% | 0.642 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.3 | 15.9 | -178.9 | -61.9 | -13.7 | 0 | 0 | 0 | 114.3 | T72 | T72-N74 PolarHBondContact O-N 3.41Š|
| 75 | K | 81.9 | Confident | 88.1 | Confident | 90 Ų | 90 | 51.4 Ų | 51.4 | 39% | 0.391 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 128.7 | -176.6 | -53.3 | 173.4 | -173.6 | 164.4 | 0 | 111.3 | T72 Y77 | T72-K75 PolarHBondContact N-O 3.37Å; T72-K75 PolarHBondContact O-N 3.28Å; T72-K75 VanDerWaalsContact O-O 3.09Å; T72-K75 WeakPolarHBondContact OG1-CB 3.48Å; T72-K75 PolarHBondContact OG1-O 2.88Å; T72-K75 VanDerWaalsContact OG1-O 3.07Å; K75-Y77 HydrophobicContact CB-CD2 4.28Å; K75-Y77 HydrophobicContact CB-CE2 3.57Å; K75-Y77 HydrophobicContact CD-CE2 4.18Å; K75-Y77 HydrophobicContact CG-CE2 4.46Å |
| 76 | L | 85.4 | Confident | 88.2 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 127.9 | 171.1 | -176.2 | 66.2 | 0 | 0 | 0 | 109.9 | I35 V44 I52 V69 H71 L78 F151 | I35-L76 HydrophobicContact CB-CB 4.18Å; I35-L76 HydrophobicContact CB-CD2 4.34Å; I35-L76 HydrophobicContact CB-CG 4.47Å; I35-L76 HydrophobicContact CG1-CB 4.32Å; I35-L76 HydrophobicContact CG1-CD2 4Å; I35-L76 HydrophobicContact CG1-CG 4.1Å; I35-L76 PolarHBondContact N-O 3.18Å; V44-L76 HydrophobicContact CG1-CD2 3.99Å; V44-L76 HydrophobicContact CG2-CB 4Å; V44-L76 HydrophobicContact CG2-CD2 4.31Å; I52-L76 HydrophobicContact CD1-CD2 3.78Å; V69-L76 HydrophobicContact CG1-CD1 3.68Å; H71-L76 HydrophobicContact CB-CD1 4.19Å; L76-L78 HydrophobicContact CG-CD2 4.46Å; L76-F151 HydrophobicContact CD2-CE1 3.53Å; L76-F151 HydrophobicContact CD2-CZ 3.63Å |
| 77 | Y | 88.3 | Confident | 88.4 | Confident | 7 Ų | 7 | 46.5 Ų | 46.5 | 3% | 0.027 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 133.1 | 173 | -60.4 | -96.2 | 0 | 0 | 0 | 109.9 | M1 K33 K34 I70 K75 | M1-Y77 HydrophobicContact CG-CE2 4.4Å; M1-Y77 HydrophobicContact SD-CE1 4.39Å; K33-Y77 WeakPolarHBondContact O-CA 3.48Å; K34-Y77 HydrophobicContact CB-CD1 3.8Å; K34-Y77 HydrophobicContact CB-CE1 3.57Å; K34-Y77 HydrophobicContact CD-CE1 4.1Å; K34-Y77 HydrophobicContact CG-CD1 4.11Å; K34-Y77 HydrophobicContact CG-CE1 3.58Å; I70-Y77 PolarHBondContact N-O 3.27Å; I70-Y77 PolarHBondContact O-N 3.37Å; K75-Y77 HydrophobicContact CB-CD2 4.28Å; K75-Y77 HydrophobicContact CB-CE2 3.57Å; K75-Y77 HydrophobicContact CD-CE2 4.18Å; K75-Y77 HydrophobicContact CG-CE2 4.46Å |
| 78 | L | 89.6 | Confident | 88.6 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 127.1 | 169.4 | -53.4 | -175.9 | 0 | 0 | 0 | 108.3 | K33 I35 I52 L66 V69 L76 F80 L147 | K33-L78 HydrophobicContact CB-CB 4.37Å; K33-L78 PolarHBondContact N-O 3.09Å; K33-L78 PolarHBondContact O-N 2.8Å; I35-L78 HydrophobicContact CD1-CD1 3.76Å; I35-L78 HydrophobicContact CD1-CG 4.03Å; I35-L78 HydrophobicContact CG1-CD1 4.3Å; I35-L78 HydrophobicContact CG1-CG 4.11Å; I52-L78 HydrophobicContact CD1-CD2 4.35Å; I52-L78 HydrophobicContact CG2-CD2 3.55Å; L66-L78 HydrophobicContact CD1-CB 3.91Å; L66-L78 HydrophobicContact CD1-CD2 4.42Å; V69-L78 HydrophobicContact CG1-CD2 4.01Å; V69-L78 HydrophobicContact CG2-CD2 4.07Å; L76-L78 HydrophobicContact CG-CD2 4.46Å; L78-F80 HydrophobicContact CB-CD2 4.1Å; L78-F80 HydrophobicContact CB-CE2 3.37Å; L78-F80 HydrophobicContact CB-CZ 3.86Å; L78-F80 HydrophobicContact CD1-CE2 4.07Å; L78-F80 HydrophobicContact CD1-CZ 3.95Å; L78-F80 HydrophobicContact CG-CE2 4.37Å; L78-L147 HydrophobicContact CD1-CD2 3.54Å |
| 79 | V | 92.1 | Very high | 88.9 | Confident | 2 Ų | 2 | 48.8 Ų | 48.8 | 1% | 0.012 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 112.5 | 179.6 | -171.2 | 0 | 0 | 0 | 0 | 107.9 | F4 V30 L32 C67 D68 I70 | F4-V79 HydrophobicContact CE1-CG1 3.97Å; F4-V79 HydrophobicContact CE2-CG2 4.22Å; F4-V79 HydrophobicContact CZ-CG1 3.9Å; F4-V79 HydrophobicContact CZ-CG2 4.11Å; V30-V79 HydrophobicContact CB-CG1 3.99Å; V30-V79 HydrophobicContact CG1-CG1 4.15Å; V30-V79 HydrophobicContact CG2-CG1 4.08Å; L32-V79 HydrophobicContact CD2-CB 4.17Å; L32-V79 HydrophobicContact CD2-CG1 4.09Å; L32-V79 HydrophobicContact CD2-CG2 3.63Å; C67-V79 WeakPolarHBondContact CA-O 3.45Å; C67-V79 HydrophobicContact CB-CB 4.5Å; C67-V79 HydrophobicContact CB-CG1 4.28Å; C67-V79 WeakPolarHBondContact CB-O 3.47Å; C67-V79 PolarHBondContact N-O 3.19Å; D68-V79 HydrophobicContact CB-CB 3.98Å; D68-V79 HydrophobicContact CB-CG2 3.92Å; D68-V79 PolarHBondContact N-O 2.82Å; D68-V79 PolarHBondContact O-N 3.02Å; I70-V79 HydrophobicContact CD1-CG2 3.71Å; I70-V79 HydrophobicContact CG1-CG2 4Å |
| 80 | F | 93.3 | Very high | 89.2 | Confident | 24 Ų | 24 | 47.8 Ų | 47.8 | 11% | 0.105 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 158 | 177.8 | -63.9 | -83.1 | 0 | 0 | 0 | 111.4 | V30 A31 K33 V64 K65 L66 L78 | V30-F80 WeakPolarHBondContact CA-O 3.44Å; V30-F80 WeakPolarHBondContact CB-O 3.28Å; A31-F80 HydrophobicContact CB-CB 4.27Å; A31-F80 PolarHBondContact N-O 3.2Å; A31-F80 PolarHBondContact O-N 3.15Å; K33-F80 HydrophobicContact CB-CD2 4.37Å; K33-F80 HydrophobicContact CB-CE2 4.08Å; K33-F80 HydrophobicContact CD-CE2 4.35Å; V64-F80 HydrophobicContact CG1-CB 3.91Å; V64-F80 HydrophobicContact CG1-CD1 3.85Å; V64-F80 HydrophobicContact CG1-CG 4.19Å; K65-F80 VanDerWaalsContact O-CA 3.3Å; K65-F80 WeakPolarHBondContact O-CA 3.19Å; L66-F80 HydrophobicContact CB-CD1 4.14Å; L66-F80 HydrophobicContact CB-CE1 3.9Å; L66-F80 HydrophobicContact CD1-CD1 4.09Å; L66-F80 HydrophobicContact CD1-CE1 3.74Å; L66-F80 HydrophobicContact CD1-CE2 4.39Å; L66-F80 HydrophobicContact CD1-CZ 3.9Å; L66-F80 HydrophobicContact CG-CE1 4.36Å; L78-F80 HydrophobicContact CB-CD2 4.1Å; L78-F80 HydrophobicContact CB-CE2 3.37Å; L78-F80 HydrophobicContact CB-CZ 3.86Å; L78-F80 HydrophobicContact CD1-CE2 4.07Å; L78-F80 HydrophobicContact CD1-CZ 3.95Å; L78-F80 HydrophobicContact CG-CE2 4.37Å |
| 81 | E | 93.8 | Very high | 89.6 | Confident | 38 Ų | 38 | 47.1 Ų | 47.1 | 18% | 0.178 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.3 | 146.1 | 161.6 | 65.4 | 176.3 | 131.1 | 0 | 0 | 110.5 | V64 K65 L83 K141 | V64-E81 HydrophobicContact CG1-CG 3.89Å; K65-E81 HydrophobicContact CB-CB 4.46Å; K65-E81 HydrophobicContact CB-CG 4.1Å; K65-E81 WeakPolarHBondContact CB-OE1 3.38Å; K65-E81 PolarHBondContact N-OE1 2.91Å; K65-E81 PolarHBondContact O-N 2.9Å; K65-E81 VanDerWaalsContact O-N 3.09Å; E81-L83 HydrophobicContact CG-CD1 3.88Å; E81-K141 VanDerWaalsContact CD-NZ 3.26Å; E81-K141 IonicContact OE1-NZ 2.99Å; E81-K141 PolarHBondContact OE1-NZ 3.32Å; E81-K141 IonicContact OE2-NZ 2.76Å; E81-K141 PolarHBondContact OE2-NZ 2.94Å |
| 82 | F | 94.4 | Very high | 90 | Very high | 44 Ų | 44 | 47.8 Ų | 47.8 | 19% | 0.193 | 23% | 0.231 | C | C | . | . | trans | -92.4 | 129.1 | 179 | 179.6 | -98.3 | 0 | 0 | 0 | 111 | I10 K20 T29 A31 | I10-F82 HydrophobicContact CD1-CD2 4.32Å; I10-F82 HydrophobicContact CD1-CE2 3.9Å; K20-F82 HydrophobicContact CB-CE2 4.13Å; K20-F82 HydrophobicContact CD-CE2 3.95Å; K20-F82 HydrophobicContact CD-CZ 3.94Å; K20-F82 HydrophobicContact CG-CD2 4.12Å; K20-F82 HydrophobicContact CG-CE2 3.82Å; K20-F82 HydrophobicContact CG-CZ 4.28Å; T29-F82 HydrophobicContact CG2-CB 3.94Å; T29-F82 HydrophobicContact CG2-CD1 3.8Å; T29-F82 HydrophobicContact CG2-CD2 4.23Å; T29-F82 HydrophobicContact CG2-CE1 4.39Å; T29-F82 HydrophobicContact CG2-CG 3.71Å; T29-F82 WeakPolarHBondContact O-CB 3.14Å; A31-F82 HydrophobicContact CB-CD2 4.48Å | ||
| 83 | L | 94.1 | Very high | 90.6 | Very high | 13 Ų | 13 | 48 Ų | 48 | 7% | 0.068 | 24% | 0.235 | C | C | . | . | trans | -117.1 | 152 | 167.4 | -72.2 | 94.2 | 0 | 0 | 0 | 109.3 | V64 E81 L133 K141 | V64-L83 HydrophobicContact CG2-CD1 4.09Å; E81-L83 HydrophobicContact CG-CD1 3.88Å; L83-L133 HydrophobicContact CB-CB 3.72Å; L83-L133 HydrophobicContact CB-CD1 4.23Å; L83-L133 HydrophobicContact CD1-CB 4.2Å; L83-L133 HydrophobicContact CD1-CD1 4.18Å; L83-L133 HydrophobicContact CD2-CB 3.79Å; L83-L133 HydrophobicContact CG-CB 4.11Å; L83-K141 HydrophobicContact CD1-CD 4.25Å; L83-K141 HydrophobicContact CD2-CB 4.2Å; L83-K141 HydrophobicContact CD2-CD 4.04Å; L83-K141 HydrophobicContact CD2-CG 3.91Å | ||
| 84 | H | 90.7 | Very high | 91.3 | Very high | 87 Ų | 87 | 40.6 Ų | 40.6 | 40% | 0.403 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -75.7 | -37.3 | -165 | -63.5 | 87.1 | 0 | 0 | 0 | 113.2 | I134 L295 L297 | H84-I134 PolarHBondContact N-O 2.84Å; H84-L295 HydrophobicContact CB-CD1 4.44Å; H84-L297 HydrophobicContact CB-CD2 3.42Å; H84-L297 VanDerWaalsContact CB-CD2 3.42Å |
| 85 | Q | 92.8 | Very high | 91.7 | Very high | 28 Ų | 28 | 41 Ų | 41 | 13% | 0.131 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 151.8 | -168.9 | -167.3 | 169.2 | -16.3 | 0 | 0 | 110.9 | K89 L133 I134 | Q85-K89 HydrophobicContact CG-CB 3.91Å; Q85-K89 PolarHBondContact NE2-O 2.77Å; Q85-L133 WeakPolarHBondContact O-CA 3.08Å; Q85-I134 HydrophobicContact CB-CG1 4.12Å; Q85-I134 PolarHBondContact N-O 3.49Å; Q85-I134 WeakPolarHBondContact O-CG1 3.45Å; Q85-I134 PolarHBondContact O-N 3.49Å |
| 86 | D | 94.8 | Very high | 91.9 | Very high | 23 Ų | 23 | 42.3 Ų | 42.3 | 12% | 0.123 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 155.1 | 168.9 | 62.7 | 78.9 | 0 | 0 | 0 | 111.6 | K88 K89 F90 L132 L133 | D86-K88 PolarHBondContact O-N 2.88Å; D86-K88 WeakPolarHBondContact OD1-CA 3.28Å; D86-K88 VanDerWaalsContact OD1-CB 3.29Å; D86-K88 WeakPolarHBondContact OD1-CB 3.19Å; D86-K88 PolarHBondContact OD1-N 3.12Å; D86-K89 PolarHBondContact O-N 2.84Å; D86-K89 WeakPolarHBondContact OD1-CG 3.12Å; D86-K89 PolarHBondContact OD1-N 2.92Å; D86-K89 WeakPolarHBondContact OD2-CD 3.48Å; D86-K89 WeakPolarHBondContact OD2-CE 3.17Å; D86-K89 WeakPolarHBondContact OD2-CG 3.25Å; D86-K89 IonicContact OD2-NZ 2.67Å; D86-K89 PolarHBondContact OD2-NZ 3.27Å; D86-F90 PolarHBondContact O-N 3.23Å; D86-F90 VanDerWaalsContact O-N 3.07Å; D86-L132 CarbonylContact C-O 3.48Å; D86-L132 VanDerWaalsContact CA-O 3.28Å; D86-L132 WeakPolarHBondContact CA-O 3.28Å; D86-L133 HydrophobicContact CB-CD2 3.83Å |
| 87 | L | 96.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.4 | -31.5 | -177.3 | -177.1 | 67.8 | 0 | 0 | 0 | 111.6 | F90 M91 I98 Y106 P129 L132 I140 I191 M195 | L87-F90 HydrophobicContact CD1-CD1 4.2Å; L87-F90 PolarHBondContact O-N 3.18Å; L87-M91 HydrophobicContact CD1-CG 4.41Å; L87-M91 HydrophobicContact CG-CE 4.22Å; L87-M91 HydrophobicContact CG-CG 4.38Å; L87-M91 HydrophobicContact CG-SD 4.32Å; L87-M91 WeakPolarHBondContact O-CG 3.48Å; L87-M91 PolarHBondContact O-N 2.9Å; L87-I98 HydrophobicContact CD1-CD1 4.26Å; L87-Y106 HydrophobicContact CD1-CD2 4.03Å; L87-Y106 HydrophobicContact CD1-CE2 4.07Å; L87-P129 HydrophobicContact CB-CB 4.15Å; L87-P129 WeakPolarHBondContact CB-O 3.37Å; L87-P129 HydrophobicContact CD2-CB 4.24Å; L87-P129 HydrophobicContact CG-CB 4.27Å; L87-P129 PolarHBondContact N-O 3.48Å; L87-L132 HydrophobicContact CB-CB 3.89Å; L87-L132 HydrophobicContact CD2-CB 4.38Å; L87-L132 HydrophobicContact CD2-CD1 3.67Å; L87-L132 PolarHBondContact N-O 2.87Å; L87-I140 HydrophobicContact CD1-CD1 4.39Å; L87-I140 HydrophobicContact CD2-CD1 4.35Å; L87-I191 HydrophobicContact CD2-CG2 3.86Å; L87-M195 HydrophobicContact CD1-SD 4.3Å; L87-M195 HydrophobicContact CD2-CG 4.11Å; L87-M195 HydrophobicContact CD2-SD 3.98Å |
| 88 | K | 94.6 | Very high | 92.5 | Very high | 48 Ų | 48 | 43.8 Ų | 43.8 | 21% | 0.209 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.7 | -54.8 | 177.7 | -178.9 | 52.4 | -179.8 | 155.1 | 0 | 110.7 | D86 F90 M91 D92 P129 Q130 | D86-K88 PolarHBondContact O-N 2.88Å; D86-K88 WeakPolarHBondContact OD1-CA 3.28Å; D86-K88 VanDerWaalsContact OD1-CB 3.29Å; D86-K88 WeakPolarHBondContact OD1-CB 3.19Å; D86-K88 PolarHBondContact OD1-N 3.12Å; K88-F90 PolarHBondContact O-N 3.13Å; K88-M91 HydrophobicContact CD-CE 4.46Å; K88-M91 PolarHBondContact O-N 3.44Å; K88-D92 WeakPolarHBondContact CE-OD1 3.43Å; K88-D92 WeakPolarHBondContact CE-OD2 3.44Å; K88-D92 IonicContact NZ-OD1 2.67Å; K88-D92 PolarHBondContact NZ-OD1 3.35Å; K88-D92 IonicContact NZ-OD2 2.73Å; K88-D92 PolarHBondContact NZ-OD2 3.44Å; K88-D92 VanDerWaalsContact O-CG 3.27Å; K88-D92 PolarHBondContact O-N 3.3Å; K88-P129 HydrophobicContact CB-CB 3.89Å; K88-P129 PolarHBondContact N-O 3.44Å; K88-Q130 HydrophobicContact CB-CG 3.91Å; K88-Q130 HydrophobicContact CG-CG 4.17Å |
| 89 | K | 93.6 | Very high | 92.8 | Very high | 112 Ų | 112 | 46.9 Ų | 46.9 | 49% | 0.487 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -57.8 | -37.3 | 176.2 | -71.9 | 179.6 | -168.6 | 164.1 | 0 | 111.6 | Q85 D86 D92 S93 | Q85-K89 HydrophobicContact CG-CB 3.91Å; Q85-K89 PolarHBondContact NE2-O 2.77Å; D86-K89 PolarHBondContact O-N 2.84Å; D86-K89 WeakPolarHBondContact OD1-CG 3.12Å; D86-K89 PolarHBondContact OD1-N 2.92Å; D86-K89 WeakPolarHBondContact OD2-CD 3.48Å; D86-K89 WeakPolarHBondContact OD2-CE 3.17Å; D86-K89 WeakPolarHBondContact OD2-CG 3.25Å; D86-K89 IonicContact OD2-NZ 2.67Å; D86-K89 PolarHBondContact OD2-NZ 3.27Å; K89-D92 PolarHBondContact O-N 3.21Å; K89-S93 WeakPolarHBondContact O-CB 3.45Å; K89-S93 PolarHBondContact O-N 3.16Å; K89-S93 PolarHBondContact O-OG 2.92Å |
| 90 | F | 95.6 | Very high | 93 | Very high | 9 Ų | 9 | 49.6 Ų | 49.6 | 4% | 0.039 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -67.1 | -42 | 179.2 | -177.8 | -113 | 0 | 0 | 0 | 112.7 | D86 L87 K88 S93 S94 I98 L102 Y106 I134 P293 L295 | D86-F90 PolarHBondContact O-N 3.23Å; D86-F90 VanDerWaalsContact O-N 3.07Å; L87-F90 HydrophobicContact CD1-CD1 4.2Å; L87-F90 PolarHBondContact O-N 3.18Å; K88-F90 PolarHBondContact O-N 3.13Å; F90-S93 PolarHBondContact O-N 3.2Å; F90-S93 PolarHBondContact O-OG 3.42Å; F90-S94 VanDerWaalsContact O-CB 3.27Å; F90-S94 WeakPolarHBondContact O-CB 3.36Å; F90-S94 PolarHBondContact O-N 3.01Å; F90-S94 VanDerWaalsContact O-N 3.11Å; F90-S94 PolarHBondContact O-OG 3.01Å; F90-I98 HydrophobicContact CD1-CD1 3.83Å; F90-I98 HydrophobicContact CD1-CG1 4.24Å; F90-I98 HydrophobicContact CE1-CD1 3.8Å; F90-I98 HydrophobicContact CE1-CG1 3.83Å; F90-I98 HydrophobicContact CE1-CG2 4.31Å; F90-L102 HydrophobicContact CE1-CD2 3.96Å; F90-L102 HydrophobicContact CZ-CD2 3.9Å; F90-Y106 HydrophobicContact CD1-CE2 4.34Å; F90-Y106 HydrophobicContact CE1-CE2 4.13Å; F90-I134 HydrophobicContact CB-CD1 3.53Å; F90-I134 HydrophobicContact CD1-CD1 3.85Å; F90-I134 HydrophobicContact CD2-CD1 3.8Å; F90-I134 HydrophobicContact CE2-CD1 4.5Å; F90-I134 HydrophobicContact CG-CD1 3.43Å; F90-I134 VanDerWaalsContact CG-CD1 3.43Å; F90-P293 HydrophobicContact CE2-CB 4.1Å; F90-P293 HydrophobicContact CZ-CB 3.87Å; F90-L295 HydrophobicContact CD2-CD2 3.56Å; F90-L295 HydrophobicContact CE2-CD2 3.66Å |
| 91 | M | 95.2 | Very high | 93.2 | Very high | 18 Ų | 18 | 51.5 Ų | 51.5 | 9% | 0.089 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.4 | -41.7 | 173.2 | -72.3 | -174.6 | -54.9 | 0 | 0 | 111.5 | L87 K88 S93 S94 I98 P129 E194 M195 | L87-M91 HydrophobicContact CD1-CG 4.41Å; L87-M91 HydrophobicContact CG-CE 4.22Å; L87-M91 HydrophobicContact CG-CG 4.38Å; L87-M91 HydrophobicContact CG-SD 4.32Å; L87-M91 WeakPolarHBondContact O-CG 3.48Å; L87-M91 PolarHBondContact O-N 2.9Å; K88-M91 HydrophobicContact CD-CE 4.46Å; K88-M91 PolarHBondContact O-N 3.44Å; M91-S93 VanDerWaalsContact C-N 3.35Å; M91-S93 PolarHBondContact O-N 2.98Å; M91-S94 PolarHBondContact O-N 3.38Å; M91-I98 HydrophobicContact CG-CD1 3.64Å; M91-I98 HydrophobicContact SD-CD1 4.5Å; M91-P129 HydrophobicContact CE-CB 3.5Å; M91-P129 VanDerWaalsContact CE-CB 3.5Å; M91-P129 HydrophobicContact CE-CG 3.57Å; M91-E194 HydrophobicContact CE-CG 4Å; M91-E194 WeakPolarHBondContact CE-OE1 3.19Å; M91-E194 HydrophobicContact SD-CG 3.99Å; M91-M195 HydrophobicContact SD-CG 4.01Å |
| 92 | D | 92.8 | Very high | 93.4 | Very high | 105 Ų | 105 | 50 Ų | 50 | 56% | 0.561 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -66.9 | -33.6 | -179.7 | -66.3 | -18.7 | 0 | 0 | 0 | 112.4 | K88 K89 | K88-D92 WeakPolarHBondContact CE-OD1 3.43Å; K88-D92 WeakPolarHBondContact CE-OD2 3.44Å; K88-D92 IonicContact NZ-OD1 2.67Å; K88-D92 PolarHBondContact NZ-OD1 3.35Å; K88-D92 IonicContact NZ-OD2 2.73Å; K88-D92 PolarHBondContact NZ-OD2 3.44Å; K88-D92 VanDerWaalsContact O-CG 3.27Å; K88-D92 PolarHBondContact O-N 3.3Å; K89-D92 PolarHBondContact O-N 3.21Å |
| 93 | S | 92.3 | Very high | 93.6 | Very high | 65 Ų | 65 | 47.9 Ų | 47.9 | 46% | 0.455 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -84.4 | -14.1 | 176.9 | 69.3 | 0 | 0 | 0 | 0 | 114.3 | K89 F90 M91 V95 | K89-S93 WeakPolarHBondContact O-CB 3.45Å; K89-S93 PolarHBondContact O-N 3.16Å; K89-S93 PolarHBondContact O-OG 2.92Å; F90-S93 PolarHBondContact O-N 3.2Å; F90-S93 PolarHBondContact O-OG 3.42Å; M91-S93 VanDerWaalsContact C-N 3.35Å; M91-S93 PolarHBondContact O-N 2.98Å; S93-V95 PolarHBondContact O-N 3.3Å; S93-V95 VanDerWaalsContact O-N 3.09Å |
| 94 | S | 89.4 | Confident | 93.8 | Very high | 19 Ų | 19 | 47.8 Ų | 47.8 | 13% | 0.133 | 28% | 0.275 | C | S | . | . | trans | -83.1 | 81.8 | -177.1 | -68.3 | 0 | 0 | 0 | 0 | 112 | F90 M91 S96 G97 | F90-S94 VanDerWaalsContact O-CB 3.27Å; F90-S94 WeakPolarHBondContact O-CB 3.36Å; F90-S94 PolarHBondContact O-N 3.01Å; F90-S94 VanDerWaalsContact O-N 3.11Å; F90-S94 PolarHBondContact O-OG 3.01Å; M91-S94 PolarHBondContact O-N 3.38Å; S94-S96 VanDerWaalsContact C-N 3.27Å; S94-S96 PolarHBondContact O-N 3.44Å; S94-G97 PolarHBondContact O-N 2.95Å | ||
| 95 | V | 83.9 | Confident | 94.2 | Very high | 128 Ų | 128 | 43.7 Ų | 43.7 | 78% | 0.776 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | -41.2 | -178.7 | -178.1 | 0 | 0 | 0 | 0 | 112.8 | S93 G97 R198 | S93-V95 PolarHBondContact O-N 3.3Å; S93-V95 VanDerWaalsContact O-N 3.09Å; V95-G97 VanDerWaalsContact C-N 3.32Å; V95-R198 PolarHBondContact O-NH1 3.36Å |
| 96 | S | 86.7 | Confident | 94.5 | Very high | 118 Ų | 118 | 42.4 Ų | 42.4 | 83% | 0.825 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84 | -2.6 | 177.9 | 55.4 | 0 | 0 | 0 | 0 | 114.3 | S94 | S94-S96 VanDerWaalsContact C-N 3.27Å; S94-S96 PolarHBondContact O-N 3.44Å |
| 97 | G | 91.3 | Very high | 94.7 | Very high | 16 Ų | 16 | 41.3 Ų | 41.3 | 17% | 0.165 | 24% | 0.244 | C | C | . | . | trans | 78.8 | 177.4 | -167.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | S94 V95 | S94-G97 PolarHBondContact O-N 2.95Å; V95-G97 VanDerWaalsContact C-N 3.32Å | ||
| 98 | I | 95.1 | Very high | 94.8 | Very high | 23 Ų | 23 | 43.6 Ų | 43.6 | 12% | 0.118 | 25% | 0.254 | C | S | . | . | trans | -89.2 | 134.5 | 178.1 | -54.5 | -180 | 0 | 0 | 0 | 108.2 | L87 F90 M91 L102 V103 M195 | L87-I98 HydrophobicContact CD1-CD1 4.26Å; F90-I98 HydrophobicContact CD1-CD1 3.83Å; F90-I98 HydrophobicContact CD1-CG1 4.24Å; F90-I98 HydrophobicContact CE1-CD1 3.8Å; F90-I98 HydrophobicContact CE1-CG1 3.83Å; F90-I98 HydrophobicContact CE1-CG2 4.31Å; M91-I98 HydrophobicContact CG-CD1 3.64Å; M91-I98 HydrophobicContact SD-CD1 4.5Å; I98-L102 HydrophobicContact CG2-CB 3.88Å; I98-L102 HydrophobicContact CG2-CD2 3.81Å; I98-L102 HydrophobicContact CG2-CG 3.85Å; I98-V103 HydrophobicContact CB-CG2 3.78Å; I98-V103 HydrophobicContact CG2-CG2 3.52Å; I98-M195 HydrophobicContact CD1-CB 4.46Å; I98-M195 HydrophobicContact CD1-CG 4.32Å | ||
| 99 | S | 95.7 | Very high | 95 | Very high | 65 Ų | 65 | 41.8 Ų | 41.8 | 46% | 0.455 | 25% | 0.246 | S | C | . | . | trans | -65.3 | 142.9 | 176.5 | 67.8 | 0 | 0 | 0 | 0 | 111 | P101 L102 V103 | S99-P101 VanDerWaalsContact C-CD 3.46Å; S99-P101 VanDerWaalsContact C-N 3.32Å; S99-L102 PolarHBondContact O-N 2.9Å; S99-L102 WeakPolarHBondContact OG-CB 3.25Å; S99-V103 PolarHBondContact O-N 3.04Å | ||
| 100 | L | 96.4 | Very high | 95.2 | Very high | 59 Ų | 59 | 36.4 Ų | 36.4 | 31% | 0.309 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -54.8 | -39.8 | -179.4 | -176.8 | 62.7 | 0 | 0 | 0 | 113.6 | L102 V103 K104 I196 L254 F284 | L100-L102 VanDerWaalsContact C-N 3.31Å; L100-L102 PolarHBondContact O-N 3.2Å; L100-V103 PolarHBondContact O-N 3.33Å; L100-K104 WeakPolarHBondContact O-CB 3.34Å; L100-K104 PolarHBondContact O-N 3.22Å; L100-I196 HydrophobicContact CD1-CD1 3.67Å; L100-L254 HydrophobicContact CD1-CD1 4.25Å; L100-F284 HydrophobicContact CD1-CZ 4.24Å |
| 101 | P | 97.7 | Very high | 95.4 | Very high | 63 Ų | 63 | 36 Ų | 36 | 41% | 0.409 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -59 | -39.3 | 173.5 | -26.8 | 37 | 0 | 0 | 0 | 113.5 | S99 K104 S105 P291 | S99-P101 VanDerWaalsContact C-CD 3.46Å; S99-P101 VanDerWaalsContact C-N 3.32Å; P101-K104 PolarHBondContact O-N 3.48Å; P101-S105 WeakPolarHBondContact O-CB 3.45Å; P101-S105 PolarHBondContact O-N 3.24Å; P101-P291 HydrophobicContact CB-CG 4.15Å |
| 102 | L | 97.9 | Very high | 95.5 | Very high | 7 Ų | 7 | 38.2 Ų | 38.2 | 4% | 0.037 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -72.4 | -38.8 | 178 | -177 | 60.1 | 0 | 0 | 0 | 111.6 | F90 I98 S99 L100 K104 S105 Y106 P291 P293 | F90-L102 HydrophobicContact CE1-CD2 3.96Å; F90-L102 HydrophobicContact CZ-CD2 3.9Å; I98-L102 HydrophobicContact CG2-CB 3.88Å; I98-L102 HydrophobicContact CG2-CD2 3.81Å; I98-L102 HydrophobicContact CG2-CG 3.85Å; S99-L102 PolarHBondContact O-N 2.9Å; S99-L102 WeakPolarHBondContact OG-CB 3.25Å; L100-L102 VanDerWaalsContact C-N 3.31Å; L100-L102 PolarHBondContact O-N 3.2Å; L102-K104 VanDerWaalsContact C-N 3.32Å; L102-K104 PolarHBondContact O-N 3.14Å; L102-S105 WeakPolarHBondContact O-CB 3.43Å; L102-S105 PolarHBondContact O-N 3.46Å; L102-Y106 HydrophobicContact CD1-CD1 4.06Å; L102-Y106 HydrophobicContact CD1-CD2 4.4Å; L102-Y106 HydrophobicContact CD1-CE1 3.6Å; L102-Y106 HydrophobicContact CD1-CE2 3.97Å; L102-Y106 HydrophobicContact CD1-CG 4.45Å; L102-Y106 HydrophobicContact CD2-CE2 4.25Å; L102-Y106 HydrophobicContact CG-CD2 4.26Å; L102-Y106 HydrophobicContact CG-CE1 4.41Å; L102-Y106 HydrophobicContact CG-CE2 3.9Å; L102-Y106 PolarHBondContact O-N 3.18Å; L102-P291 HydrophobicContact CB-CG 3.94Å; L102-P291 HydrophobicContact CD1-CG 4.08Å; L102-P293 HydrophobicContact CD2-CB 3.84Å |
| 103 | V | 98.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58.9 | -45 | 171.7 | 178 | 0 | 0 | 0 | 0 | 110.9 | I98 S99 L100 Y106 L107 F192 M195 I196 | I98-V103 HydrophobicContact CB-CG2 3.78Å; I98-V103 HydrophobicContact CG2-CG2 3.52Å; S99-V103 PolarHBondContact O-N 3.04Å; L100-V103 PolarHBondContact O-N 3.33Å; V103-Y106 PolarHBondContact O-N 3.11Å; V103-L107 WeakPolarHBondContact O-CB 3.42Å; V103-L107 PolarHBondContact O-N 3.33Å; V103-F192 HydrophobicContact CG1-CD2 3.9Å; V103-F192 HydrophobicContact CG1-CE2 3.9Å; V103-M195 HydrophobicContact CG1-CB 3.88Å; V103-M195 HydrophobicContact CG1-CE 3.96Å; V103-M195 HydrophobicContact CG1-SD 4.33Å; V103-M195 HydrophobicContact CG2-CB 3.99Å; V103-I196 HydrophobicContact CB-CD1 4.21Å; V103-I196 HydrophobicContact CG1-CD1 3.74Å; V103-I196 HydrophobicContact CG1-CG1 4.15Å; V103-I196 HydrophobicContact CG2-CD1 4.21Å |
| 104 | K | 98.6 | Very high | 96 | Very high | 10 Ų | 10 | 30.1 Ų | 30.1 | 4% | 0.043 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.5 | -45.3 | 177.8 | -171 | 178.8 | -69.2 | -172.1 | 0 | 111.4 | L100 P101 L102 L107 F108 F284 F285 D287 V288 | L100-K104 WeakPolarHBondContact O-CB 3.34Å; L100-K104 PolarHBondContact O-N 3.22Å; P101-K104 PolarHBondContact O-N 3.48Å; L102-K104 VanDerWaalsContact C-N 3.32Å; L102-K104 PolarHBondContact O-N 3.14Å; K104-L107 PolarHBondContact O-N 3.46Å; K104-F108 VanDerWaalsContact O-CB 3.32Å; K104-F108 WeakPolarHBondContact O-CB 3.32Å; K104-F108 PolarHBondContact O-N 3.1Å; K104-F284 HydrophobicContact CB-CE1 4.17Å; K104-F284 HydrophobicContact CB-CZ 4.27Å; K104-F284 WeakPolarHBondContact CD-O 3.25Å; K104-F284 WeakPolarHBondContact CE-O 3.4Å; K104-F284 HydrophobicContact CG-CD1 4.28Å; K104-F284 HydrophobicContact CG-CE1 3.87Å; K104-F284 HydrophobicContact CG-CZ 4.22Å; K104-F284 PolarHBondContact NZ-O 3.23Å; K104-F284 VanDerWaalsContact NZ-O 3.16Å; K104-F285 HydrophobicContact CG-CD1 3.82Å; K104-F285 HydrophobicContact CG-CE1 4.17Å; K104-D287 IonicContact NZ-OD1 2.7Å; K104-D287 PolarHBondContact NZ-OD1 3.04Å; K104-D287 IonicContact NZ-OD2 3.46Å; K104-D287 PolarHBondContact NZ-OD2 3.41Å; K104-V288 HydrophobicContact CD-CB 4.16Å; K104-V288 HydrophobicContact CD-CG2 4.45Å; K104-V288 HydrophobicContact CG-CB 4.13Å; K104-V288 HydrophobicContact CG-CG2 3.96Å |
| 105 | S | 98.8 | Very high | 96.4 | Very high | 2 Ų | 2 | 30.3 Ų | 30.3 | 1% | 0.014 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -56.7 | -51.9 | 174 | 179.7 | 0 | 0 | 0 | 0 | 112 | P101 L102 F108 Q109 T289 | P101-S105 WeakPolarHBondContact O-CB 3.45Å; P101-S105 PolarHBondContact O-N 3.24Å; L102-S105 WeakPolarHBondContact O-CB 3.43Å; L102-S105 PolarHBondContact O-N 3.46Å; S105-F108 PolarHBondContact O-N 2.91Å; S105-Q109 WeakPolarHBondContact O-CB 3.35Å; S105-Q109 WeakPolarHBondContact O-CG 3.31Å; S105-Q109 PolarHBondContact O-N 2.95Å; S105-Q109 PolarHBondContact OG-NE2 2.79Å; S105-T289 VanDerWaalsContact CB-O 3.25Å; S105-T289 WeakPolarHBondContact CB-O 3.24Å; S105-T289 PolarHBondContact OG-O 3.09Å |
| 106 | Y | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -64.2 | -45.4 | -179.1 | -74 | -12.4 | 0 | 0 | 0 | 112.2 | L87 F90 L102 V103 F108 Q109 L110 I134 I140 M195 | L87-Y106 HydrophobicContact CD1-CD2 4.03Å; L87-Y106 HydrophobicContact CD1-CE2 4.07Å; F90-Y106 HydrophobicContact CD1-CE2 4.34Å; F90-Y106 HydrophobicContact CE1-CE2 4.13Å; L102-Y106 HydrophobicContact CD1-CD1 4.06Å; L102-Y106 HydrophobicContact CD1-CD2 4.4Å; L102-Y106 HydrophobicContact CD1-CE1 3.6Å; L102-Y106 HydrophobicContact CD1-CE2 3.97Å; L102-Y106 HydrophobicContact CD1-CG 4.45Å; L102-Y106 HydrophobicContact CD2-CE2 4.25Å; L102-Y106 HydrophobicContact CG-CD2 4.26Å; L102-Y106 HydrophobicContact CG-CE1 4.41Å; L102-Y106 HydrophobicContact CG-CE2 3.9Å; L102-Y106 PolarHBondContact O-N 3.18Å; V103-Y106 PolarHBondContact O-N 3.11Å; Y106-F108 VanDerWaalsContact C-N 3.3Å; Y106-F108 PolarHBondContact O-N 3.49Å; Y106-Q109 PolarHBondContact O-N 3.33Å; Y106-L110 WeakPolarHBondContact O-CB 3.5Å; Y106-L110 WeakPolarHBondContact O-CD1 3.46Å; Y106-L110 WeakPolarHBondContact O-CG 3.5Å; Y106-L110 PolarHBondContact O-N 2.88Å; Y106-I134 HydrophobicContact CE1-CG2 4.17Å; Y106-I134 HydrophobicContact CE2-CG2 4.07Å; Y106-I140 HydrophobicContact CD1-CB 3.67Å; Y106-I140 HydrophobicContact CD1-CD1 4.2Å; Y106-I140 HydrophobicContact CD1-CG2 3.67Å; Y106-I140 HydrophobicContact CD2-CD1 4.01Å; Y106-I140 HydrophobicContact CE1-CB 4.02Å; Y106-I140 HydrophobicContact CE1-CG2 4.46Å; Y106-I140 HydrophobicContact CG-CB 4.17Å; Y106-I140 HydrophobicContact CG-CD1 3.82Å; Y106-I140 HydrophobicContact CG-CG2 4.08Å; Y106-M195 HydrophobicContact CD2-SD 4.3Å |
| 107 | L | 98.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -59.4 | -43.1 | 177.1 | -176.5 | 64 | 0 | 0 | 0 | 111.6 | V103 K104 L110 L111 L188 F192 M195 L261 M265 F284 F285 | V103-L107 WeakPolarHBondContact O-CB 3.42Å; V103-L107 PolarHBondContact O-N 3.33Å; K104-L107 PolarHBondContact O-N 3.46Å; L107-L110 PolarHBondContact O-N 3.35Å; L107-L111 HydrophobicContact CG-CD1 4.16Å; L107-L111 WeakPolarHBondContact O-CB 3.23Å; L107-L111 VanDerWaalsContact O-CG 3.28Å; L107-L111 WeakPolarHBondContact O-CG 3.48Å; L107-L111 PolarHBondContact O-N 2.93Å; L107-L188 HydrophobicContact CD1-CD1 3.99Å; L107-L188 HydrophobicContact CD1-CD2 4.02Å; L107-L188 HydrophobicContact CD1-CG 3.79Å; L107-F192 HydrophobicContact CD1-CB 4.04Å; L107-F192 HydrophobicContact CD1-CG 4.24Å; L107-F192 HydrophobicContact CD2-CB 4.41Å; L107-F192 HydrophobicContact CD2-CD1 3.7Å; L107-F192 HydrophobicContact CD2-CD2 3.77Å; L107-F192 HydrophobicContact CD2-CE1 3.75Å; L107-F192 HydrophobicContact CD2-CE2 3.83Å; L107-F192 HydrophobicContact CD2-CG 3.7Å; L107-F192 HydrophobicContact CD2-CZ 3.8Å; L107-M195 HydrophobicContact CB-CE 4.44Å; L107-L261 HydrophobicContact CD2-CD2 3.87Å; L107-M265 HydrophobicContact CD1-CE 4.21Å; L107-F284 HydrophobicContact CD2-CD1 4.41Å; L107-F284 HydrophobicContact CD2-CE1 4.08Å; L107-F285 HydrophobicContact CB-CE1 4.27Å; L107-F285 HydrophobicContact CB-CZ 4.39Å; L107-F285 HydrophobicContact CD2-CE1 4.13Å; L107-F285 HydrophobicContact CD2-CZ 3.71Å; L107-F285 HydrophobicContact CG-CE1 4.22Å; L107-F285 HydrophobicContact CG-CZ 3.84Å |
| 108 | F | 98.9 | Very high | 97.2 | Very high | 49 Ų | 49 | 21.2 Ų | 21.2 | 22% | 0.215 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -61.2 | -50 | 178.4 | -172.9 | -103 | 0 | 0 | 0 | 111.8 | K104 S105 Y106 L110 L111 Q112 L280 F285 V288 | K104-F108 VanDerWaalsContact O-CB 3.32Å; K104-F108 WeakPolarHBondContact O-CB 3.32Å; K104-F108 PolarHBondContact O-N 3.1Å; S105-F108 PolarHBondContact O-N 2.91Å; Y106-F108 VanDerWaalsContact C-N 3.3Å; Y106-F108 PolarHBondContact O-N 3.49Å; F108-L110 PolarHBondContact O-N 2.9Å; F108-L111 WeakPolarHBondContact O-CB 3.49Å; F108-L111 PolarHBondContact O-N 2.9Å; F108-Q112 HydrophobicContact CD1-CG 4.37Å; F108-Q112 HydrophobicContact CE1-CG 4.18Å; F108-Q112 WeakPolarHBondContact O-CG 3.36Å; F108-Q112 PolarHBondContact O-N 3.48Å; F108-L280 HydrophobicContact CD2-CD2 3.74Å; F108-L280 HydrophobicContact CE2-CD2 3.63Å; F108-L280 HydrophobicContact CG-CD2 4.34Å; F108-L280 HydrophobicContact CZ-CD2 4.13Å; F108-F285 HydrophobicContact CB-CD1 3.86Å; F108-F285 HydrophobicContact CB-CE1 3.8Å; F108-F285 HydrophobicContact CD2-CB 3.94Å; F108-F285 AromaticContact CD2-CD1 3.69Å; F108-F285 HydrophobicContact CD2-CD1 3.69Å; F108-F285 HydrophobicContact CD2-CD2 4.08Å; F108-F285 HydrophobicContact CD2-CE1 4.18Å; F108-F285 AromaticContact CD2-CG 3.64Å; F108-F285 HydrophobicContact CD2-CG 3.64Å; F108-F285 HydrophobicContact CE2-CB 4.2Å; F108-F285 HydrophobicContact CE2-CG 4.3Å; F108-F285 HydrophobicContact CG-CD1 4.21Å; F108-V288 HydrophobicContact CB-CG2 4.05Å; F108-V288 HydrophobicContact CD1-CG1 4.49Å; F108-V288 HydrophobicContact CD2-CG1 4.47Å; F108-V288 HydrophobicContact CG-CG1 4.41Å; F108-V288 HydrophobicContact CG-CG2 4.28Å |
| 109 | Q | 98.8 | Very high | 97 | Very high | 9 Ų | 9 | 24.3 Ų | 24.3 | 4% | 0.042 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -60 | -42.4 | 177.2 | -77.6 | -176.6 | 70.3 | 0 | 0 | 113.1 | N62 S105 Y106 Q112 G113 G138 E139 I140 | N62-Q109 WeakPolarHBondContact CB-O 3.47Å; N62-Q109 VanDerWaalsContact CG-O 3.25Å; N62-Q109 VanDerWaalsContact ND2-CB 3.32Å; N62-Q109 WeakPolarHBondContact ND2-CB 3.3Å; N62-Q109 WeakPolarHBondContact ND2-CG 3.4Å; N62-Q109 PolarHBondContact ND2-OE1 3.04Å; N62-Q109 VanDerWaalsContact ND2-OE1 3.08Å; N62-Q109 PolarHBondContact OD1-O 3.43Å; S105-Q109 WeakPolarHBondContact O-CB 3.35Å; S105-Q109 WeakPolarHBondContact O-CG 3.31Å; S105-Q109 PolarHBondContact O-N 2.95Å; S105-Q109 PolarHBondContact OG-NE2 2.79Å; Y106-Q109 PolarHBondContact O-N 3.33Å; Q109-Q112 WeakPolarHBondContact O-CB 3.17Å; Q109-Q112 PolarHBondContact O-N 2.64Å; Q109-G113 PolarHBondContact O-N 2.84Å; Q109-G138 PolarHBondContact NE2-O 3.08Å; Q109-E139 VanDerWaalsContact OE1-CA 3.32Å; Q109-I140 HydrophobicContact CB-CG2 3.47Å; Q109-I140 VanDerWaalsContact CB-CG2 3.47Å; Q109-I140 HydrophobicContact CG-CG2 4.34Å |
| 110 | L | 98.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -64.3 | -40.5 | 175.9 | -68.5 | 168.8 | 0 | 0 | 0 | 111.6 | Y106 L107 F108 Q112 G113 L114 L132 I140 L142 L188 | Y106-L110 WeakPolarHBondContact O-CB 3.5Å; Y106-L110 WeakPolarHBondContact O-CD1 3.46Å; Y106-L110 WeakPolarHBondContact O-CG 3.5Å; Y106-L110 PolarHBondContact O-N 2.88Å; L107-L110 PolarHBondContact O-N 3.35Å; F108-L110 PolarHBondContact O-N 2.9Å; L110-Q112 VanDerWaalsContact C-N 3.34Å; L110-G113 PolarHBondContact O-N 3.43Å; L110-L114 WeakPolarHBondContact O-CG 3.43Å; L110-L114 PolarHBondContact O-N 3.23Å; L110-L132 HydrophobicContact CD1-CD1 3.76Å; L110-L132 HydrophobicContact CD2-CD1 4Å; L110-L132 HydrophobicContact CD2-CD2 3.55Å; L110-L132 HydrophobicContact CD2-CG 4.27Å; L110-I140 HydrophobicContact CD1-CD1 3.99Å; L110-I140 HydrophobicContact CD2-CD1 4.14Å; L110-I140 HydrophobicContact CD2-CG1 4Å; L110-I140 HydrophobicContact CD2-CG2 4.27Å; L110-I140 HydrophobicContact CG-CD1 4.2Å; L110-I140 HydrophobicContact CG-CG1 4.37Å; L110-I140 HydrophobicContact CG-CG2 3.99Å; L110-L142 HydrophobicContact CD2-CD2 3.53Å; L110-L142 HydrophobicContact CD2-CG 4.12Å; L110-L188 HydrophobicContact CB-CD1 3.86Å; L110-L188 HydrophobicContact CB-CD2 4.06Å; L110-L188 HydrophobicContact CD1-CD1 3.58Å; L110-L188 HydrophobicContact CG-CD1 4.32Å |
| 111 | L | 98.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.2 | -36.9 | 173.9 | -74.3 | 169.1 | 0 | 0 | 0 | 112.1 | L107 F108 L114 A115 L188 M265 A276 A279 L280 F285 | L107-L111 HydrophobicContact CG-CD1 4.16Å; L107-L111 WeakPolarHBondContact O-CB 3.23Å; L107-L111 VanDerWaalsContact O-CG 3.28Å; L107-L111 WeakPolarHBondContact O-CG 3.48Å; L107-L111 PolarHBondContact O-N 2.93Å; F108-L111 WeakPolarHBondContact O-CB 3.49Å; F108-L111 PolarHBondContact O-N 2.9Å; L111-L114 PolarHBondContact O-N 2.94Å; L111-A115 VanDerWaalsContact O-CB 3.24Å; L111-A115 WeakPolarHBondContact O-CB 3.35Å; L111-A115 PolarHBondContact O-N 2.79Å; L111-L188 HydrophobicContact CD2-CD2 3.66Å; L111-L188 HydrophobicContact CG-CD2 3.86Å; L111-M265 HydrophobicContact CD2-CE 4.41Å; L111-A276 HydrophobicContact CD2-CB 4.25Å; L111-A279 HydrophobicContact CD1-CB 3.73Å; L111-A279 HydrophobicContact CD2-CB 3.75Å; L111-A279 HydrophobicContact CG-CB 4.38Å; L111-L280 HydrophobicContact CB-CD2 3.62Å; L111-L280 HydrophobicContact CB-CG 3.97Å; L111-F285 HydrophobicContact CD1-CE2 3.65Å; L111-F285 HydrophobicContact CD1-CZ 3.56Å |
| 112 | Q | 98.8 | Very high | 95.5 | Very high | 65 Ų | 65 | 32.6 Ų | 32.6 | 30% | 0.304 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -62.4 | -48.4 | 173.9 | -68.2 | 175.8 | -61.4 | 0 | 0 | 110.9 | F108 Q109 L110 L114 A115 F116 L280 | F108-Q112 HydrophobicContact CD1-CG 4.37Å; F108-Q112 HydrophobicContact CE1-CG 4.18Å; F108-Q112 WeakPolarHBondContact O-CG 3.36Å; F108-Q112 PolarHBondContact O-N 3.48Å; Q109-Q112 WeakPolarHBondContact O-CB 3.17Å; Q109-Q112 PolarHBondContact O-N 2.64Å; L110-Q112 VanDerWaalsContact C-N 3.34Å; Q112-L114 PolarHBondContact O-N 2.85Å; Q112-A115 PolarHBondContact O-N 3.48Å; Q112-F116 PolarHBondContact O-N 3.37Å; Q112-F116 VanDerWaalsContact O-N 3.07Å; Q112-L280 HydrophobicContact CG-CD1 4.28Å; Q112-L280 HydrophobicContact CG-CD2 3.62Å |
| 113 | G | 97.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -58.7 | -45.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q109 L110 F116 C117 | Q109-G113 PolarHBondContact O-N 2.84Å; L110-G113 PolarHBondContact O-N 3.43Å; G113-F116 PolarHBondContact O-N 2.81Å; G113-C117 PolarHBondContact O-N 3.25Å; G113-C117 PolarHBondContact O-SG 3Å |
| 114 | L | 96.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -67.1 | -40.4 | 177.9 | -72.2 | -178.3 | 0 | 0 | 0 | 112.8 | L110 L111 Q112 F116 C117 H118 L127 L142 D184 L188 A276 | L110-L114 WeakPolarHBondContact O-CG 3.43Å; L110-L114 PolarHBondContact O-N 3.23Å; L111-L114 PolarHBondContact O-N 2.94Å; Q112-L114 PolarHBondContact O-N 2.85Å; L114-F116 VanDerWaalsContact C-N 3.26Å; L114-F116 PolarHBondContact O-N 2.84Å; L114-C117 PolarHBondContact O-N 3.43Å; L114-H118 VanDerWaalsContact O-CB 3.29Å; L114-H118 WeakPolarHBondContact O-CB 3.34Å; L114-H118 PolarHBondContact O-CD2 2.81Å; L114-H118 PolarHBondContact O-N 3.33Å; L114-L127 HydrophobicContact CD1-CD1 3.83Å; L114-L127 HydrophobicContact CD2-CD1 3.94Å; L114-L127 HydrophobicContact CG-CD1 4.45Å; L114-L142 HydrophobicContact CD2-CD1 3.86Å; L114-L142 HydrophobicContact CG-CD1 4Å; L114-D184 HydrophobicContact CD1-CB 4.24Å; L114-D184 HydrophobicContact CD2-CB 4.16Å; L114-L188 HydrophobicContact CD1-CB 4.28Å; L114-L188 HydrophobicContact CD1-CD2 3.69Å; L114-A276 HydrophobicContact CB-CB 4.02Å |
| 115 | A | 97.6 | Very high | 93.7 | Very high | 22 Ų | 22 | 39.7 Ų | 39.7 | 18% | 0.182 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -58.8 | -41.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | L111 Q112 S119 A276 L280 | L111-A115 VanDerWaalsContact O-CB 3.24Å; L111-A115 WeakPolarHBondContact O-CB 3.35Å; L111-A115 PolarHBondContact O-N 2.79Å; Q112-A115 PolarHBondContact O-N 3.48Å; A115-S119 PolarHBondContact O-N 2.78Å; A115-S119 PolarHBondContact O-OG 2.83Å; A115-A276 HydrophobicContact CB-CB 3.9Å; A115-L280 HydrophobicContact CB-CD1 3.99Å |
| 116 | F | 95.6 | Very high | 93 | Very high | 42 Ų | 42 | 41.8 Ų | 41.8 | 18% | 0.184 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.7 | -48.1 | 173.8 | 177.5 | -90.5 | 0 | 0 | 0 | 112 | L58 H60 I63 Q112 G113 L114 H118 S119 H120 | L58-F116 HydrophobicContact CB-CE1 4.33Å; L58-F116 HydrophobicContact CD2-CE1 3.79Å; H60-F116 HydrophobicContact CB-CD1 3.89Å; H60-F116 HydrophobicContact CB-CD2 4.34Å; H60-F116 HydrophobicContact CB-CE1 4.14Å; H60-F116 HydrophobicContact CB-CG 3.99Å; H60-F116 HydrophobicContact CB-CZ 4.47Å; H60-F116 AromaticContact CD2-CD2 3.87Å; H60-F116 AromaticContact CD2-CG 3.83Å; I63-F116 HydrophobicContact CD1-CD1 3.46Å; I63-F116 VanDerWaalsContact CD1-CD1 3.46Å; I63-F116 HydrophobicContact CD1-CE1 3.97Å; I63-F116 HydrophobicContact CD1-CG 4.44Å; Q112-F116 PolarHBondContact O-N 3.37Å; Q112-F116 VanDerWaalsContact O-N 3.07Å; G113-F116 PolarHBondContact O-N 2.81Å; L114-F116 VanDerWaalsContact C-N 3.26Å; L114-F116 PolarHBondContact O-N 2.84Å; F116-H118 VanDerWaalsContact C-N 3.34Å; F116-H118 PolarHBondContact O-N 3.28Å; F116-S119 PolarHBondContact O-N 3.29Å; F116-S119 PolarHBondContact O-OG 2.61Å; F116-H120 AromaticContact CD2-CE1 3.65Å; F116-H120 AromaticContact CD2-ND1 3.94Å; F116-H120 AromaticContact CE2-CE1 3.28Å; F116-H120 WeakPolarHBondContact CE2-CE1 3.2Å; F116-H120 AromaticContact CE2-ND1 3.83Å; F116-H120 AromaticContact CZ-CE1 3.59Å; F116-H120 AromaticContact CZ-ND1 3.87Å; F116-H120 PolarHBondContact O-N 2.95Å; F116-H120 PolarHBondContact O-ND1 3.08Å |
| 117 | C | 91.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.1 | -45.8 | 177.9 | -66.8 | 0 | 0 | 0 | 0 | 112.1 | I63 G113 L114 S119 H120 R121 V122 F145 | I63-C117 WeakPolarHBondContact CD1-SG 3.12Å; G113-C117 PolarHBondContact O-N 3.25Å; G113-C117 PolarHBondContact O-SG 3Å; L114-C117 PolarHBondContact O-N 3.43Å; C117-S119 VanDerWaalsContact C-N 3.34Å; C117-S119 PolarHBondContact O-N 3.09Å; C117-H120 CarbonylContact O-C 3.35Å; C117-H120 WeakPolarHBondContact O-CA 3.32Å; C117-H120 PolarHBondContact O-N 3.16Å; C117-R121 PolarHBondContact O-N 3Å; C117-V122 CarbonylContact C-O 3.59Å; C117-V122 HydrophobicContact CB-CB 4.2Å; C117-V122 HydrophobicContact CB-CG1 4.47Å; C117-V122 PolarHBondContact O-N 2.93Å; C117-F145 HydrophobicContact CB-CE1 4.14Å; C117-F145 WeakPolarHBondContact SG-CE1 3.48Å; C117-F145 WeakPolarHBondContact SG-CZ 3.04Å |
| 118 | H | 91.4 | Very high | 92.4 | Very high | 30 Ų | 30 | 43.5 Ų | 43.5 | 14% | 0.139 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.8 | -37.1 | -177.7 | -67.1 | 177.1 | 0 | 0 | 0 | 111.6 | L114 F116 H120 R121 V122 T181 D184 | L114-H118 VanDerWaalsContact O-CB 3.29Å; L114-H118 WeakPolarHBondContact O-CB 3.34Å; L114-H118 PolarHBondContact O-CD2 2.81Å; L114-H118 PolarHBondContact O-N 3.33Å; F116-H118 VanDerWaalsContact C-N 3.34Å; F116-H118 PolarHBondContact O-N 3.28Å; H118-H120 PolarHBondContact O-N 3.17Å; H118-R121 PolarHBondContact O-N 3.33Å; H118-R121 VanDerWaalsContact O-N 3.15Å; H118-V122 PolarHBondContact CD2-O 3.19Å; H118-T181 HydrophobicContact CB-CG2 3.73Å; H118-T181 PolarHBondContact CE1-O 3.01Å; H118-T181 VanDerWaalsContact CG-CG2 3.46Å; H118-T181 WeakPolarHBondContact ND1-CB 3.1Å; H118-D184 IonicContact CD2-OD2 3.81Å; H118-D184 IonicContact CE1-OD2 3.95Å; H118-D184 IonicContact NE2-OD2 2.93Å; H118-D184 PolarHBondContact NE2-OD2 3.05Å |
| 119 | S | 92.3 | Very high | 92.3 | Very high | 87 Ų | 87 | 41.2 Ų | 41.2 | 61% | 0.608 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -67.2 | -25.2 | 174.2 | 70.8 | 0 | 0 | 0 | 0 | 113.2 | A115 F116 C117 | A115-S119 PolarHBondContact O-N 2.78Å; A115-S119 PolarHBondContact O-OG 2.83Å; F116-S119 PolarHBondContact O-N 3.29Å; F116-S119 PolarHBondContact O-OG 2.61Å; C117-S119 VanDerWaalsContact C-N 3.34Å; C117-S119 PolarHBondContact O-N 3.09Å |
| 120 | H | 87.6 | Confident | 92 | Very high | 103 Ų | 103 | 44.1 Ų | 44.1 | 48% | 0.477 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | 13.4 | 175.5 | -65.1 | 83.7 | 0 | 0 | 0 | 113.1 | L58 F116 C117 H118 V122 | L58-H120 HydrophobicContact CD2-CB 4.41Å; F116-H120 AromaticContact CD2-CE1 3.65Å; F116-H120 AromaticContact CD2-ND1 3.94Å; F116-H120 AromaticContact CE2-CE1 3.28Å; F116-H120 WeakPolarHBondContact CE2-CE1 3.2Å; F116-H120 AromaticContact CE2-ND1 3.83Å; F116-H120 AromaticContact CZ-CE1 3.59Å; F116-H120 AromaticContact CZ-ND1 3.87Å; F116-H120 PolarHBondContact O-N 2.95Å; F116-H120 PolarHBondContact O-ND1 3.08Å; C117-H120 CarbonylContact O-C 3.35Å; C117-H120 WeakPolarHBondContact O-CA 3.32Å; C117-H120 PolarHBondContact O-N 3.16Å; H118-H120 PolarHBondContact O-N 3.17Å; H120-V122 HydrophobicContact CB-CG2 4.47Å; H120-V122 PolarHBondContact O-N 3.07Å |
| 121 | R | 85.6 | Confident | 91.7 | Very high | 229 Ų | 229 | 44.7 Ų | 44.7 | 86% | 0.864 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.1 | 29.7 | 179.8 | -51.2 | 177.7 | -177.9 | 179.1 | 0.1 | 113.4 | C117 H118 | C117-R121 PolarHBondContact O-N 3Å; H118-R121 PolarHBondContact O-N 3.33Å; H118-R121 VanDerWaalsContact O-N 3.15Å |
| 122 | V | 84.3 | Confident | 91.6 | Very high | 30 Ų | 30 | 44.7 Ų | 44.7 | 18% | 0.182 | 21% | 0.21 | C | C | . | . | trans | -102.8 | 129 | 174.7 | 178.8 | 0 | 0 | 0 | 0 | 109.2 | L58 C117 H118 H120 F145 | L58-V122 HydrophobicContact CD1-CG1 4.16Å; L58-V122 HydrophobicContact CD1-CG2 4.29Å; L58-V122 HydrophobicContact CD2-CG2 4.14Å; C117-V122 CarbonylContact C-O 3.59Å; C117-V122 HydrophobicContact CB-CB 4.2Å; C117-V122 HydrophobicContact CB-CG1 4.47Å; C117-V122 PolarHBondContact O-N 2.93Å; H118-V122 PolarHBondContact CD2-O 3.19Å; H120-V122 HydrophobicContact CB-CG2 4.47Å; H120-V122 PolarHBondContact O-N 3.07Å; V122-F145 HydrophobicContact CG1-CD1 4.12Å | ||
| 123 | L | 84.8 | Confident | 91.5 | Very high | 31 Ų | 31 | 43.5 Ų | 43.5 | 16% | 0.162 | 21% | 0.206 | C | C | . | . | trans | -109 | 141.4 | 173.6 | -60.6 | 179.2 | 0 | 0 | 0 | 109.2 | R125 T181 | L123-R125 HydrophobicContact CB-CG 3.91Å; L123-T181 HydrophobicContact CD2-CG2 3.67Å | ||
| 124 | H | 87.6 | Confident | 91.5 | Very high | 8 Ų | 8 | 43.5 Ų | 43.5 | 4% | 0.037 | 21% | 0.206 | C | C | . | . | trans | -82.9 | -49.2 | 178.1 | -171.4 | -44.7 | 0 | 0 | 0 | 112.3 | D126 L127 A143 F145 D184 | H124-D126 VanDerWaalsContact CE1-C 3.48Å; H124-D126 PolarHBondContact CE1-O 3.46Å; H124-D126 VanDerWaalsContact CE1-O 3.26Å; H124-D126 PolarHBondContact ND1-N 2.89Å; H124-D126 PolarHBondContact O-N 3.5Å; H124-L127 HydrophobicContact CB-CD2 4.26Å; H124-L127 HydrophobicContact CB-CG 4Å; H124-L127 WeakPolarHBondContact CD2-CD2 3.32Å; H124-A143 PolarHBondContact NE2-O 3.31Å; H124-F145 HydrophobicContact CB-CD1 4.23Å; H124-F145 HydrophobicContact CB-CE1 4Å; H124-F145 AromaticContact CD2-CE1 3.79Å; H124-D184 PolarHBondContact N-OD1 2.98Å; H124-D184 PolarHBondContact N-OD2 3.25Å | ||
| 125 | R | 84.7 | Confident | 91.4 | Very high | 127 Ų | 127 | 44.2 Ų | 44.2 | 48% | 0.479 | 21% | 0.209 | S | C | . | . | trans | 66 | -5.6 | 176.1 | -52.7 | 178.1 | 174.4 | 179.9 | -3.8 | 118 | L123 D184 | L123-R125 HydrophobicContact CB-CG 3.91Å; R125-D184 PolarHBondContact N-OD1 3.29Å | ||
| 126 | D | 84.6 | Confident | 91.2 | Very high | 45 Ų | 45 | 44.4 Ų | 44.4 | 24% | 0.241 | 21% | 0.211 | C | C | . | . | trans | -141.5 | 41.7 | -179.8 | -172.1 | 35.4 | 0 | 0 | 0 | 109.9 | H124 K128 N131 | H124-D126 VanDerWaalsContact CE1-C 3.48Å; H124-D126 PolarHBondContact CE1-O 3.46Å; H124-D126 VanDerWaalsContact CE1-O 3.26Å; H124-D126 PolarHBondContact ND1-N 2.89Å; H124-D126 PolarHBondContact O-N 3.5Å; D126-K128 PolarHBondContact O-N 3.45Å; D126-K128 IonicContact OD1-NZ 2.73Å; D126-K128 PolarHBondContact OD1-NZ 3.14Å; D126-K128 IonicContact OD2-NZ 2.87Å; D126-K128 PolarHBondContact OD2-NZ 3.38Å; D126-N131 PolarHBondContact O-ND2 2.9Å; D126-N131 PolarHBondContact OD2-ND2 3.41Å; D126-N131 VanDerWaalsContact OD2-ND2 3.13Å | ||
| 127 | L | 92.4 | Very high | 91.2 | Very high | 2 Ų | 2 | 47.5 Ų | 47.5 | 1% | 0.01 | 23% | 0.226 | C | C | . | . | trans | -69 | 122.3 | 174.2 | -77 | 174.1 | 0 | 0 | 0 | 109.5 | L114 H124 L132 L142 Y167 D184 I191 | L114-L127 HydrophobicContact CD1-CD1 3.83Å; L114-L127 HydrophobicContact CD2-CD1 3.94Å; L114-L127 HydrophobicContact CG-CD1 4.45Å; H124-L127 HydrophobicContact CB-CD2 4.26Å; H124-L127 HydrophobicContact CB-CG 4Å; H124-L127 WeakPolarHBondContact CD2-CD2 3.32Å; L127-L132 HydrophobicContact CD2-CD2 4.19Å; L127-L142 HydrophobicContact CD2-CD2 3.6Å; L127-Y167 VanDerWaalsContact O-CB 3.28Å; L127-Y167 WeakPolarHBondContact O-CB 3.24Å; L127-D184 HydrophobicContact CD1-CB 3.75Å; L127-D184 VanDerWaalsContact CD1-O 3.3Å; L127-D184 WeakPolarHBondContact CD1-O 3.42Å; L127-I191 HydrophobicContact CB-CD1 4.26Å | ||
| 128 | K | 93.4 | Very high | 91.4 | Very high | 35 Ų | 35 | 47.5 Ų | 47.5 | 15% | 0.152 | 23% | 0.226 | C | C | . | . | trans | -157.4 | 157.4 | 175 | 60.2 | -172.7 | 174.1 | -134.3 | 0 | 108.8 | D126 Q130 N131 Y167 | D126-K128 PolarHBondContact O-N 3.45Å; D126-K128 IonicContact OD1-NZ 2.73Å; D126-K128 PolarHBondContact OD1-NZ 3.14Å; D126-K128 IonicContact OD2-NZ 2.87Å; D126-K128 PolarHBondContact OD2-NZ 3.38Å; K128-Q130 HydrophobicContact CG-CB 4.3Å; K128-Q130 VanDerWaalsContact CG-OE1 3.3Å; K128-Q130 PolarHBondContact O-N 2.97Å; K128-N131 WeakPolarHBondContact CE-ND2 3.48Å; K128-N131 HydrophobicContact CG-CB 4.28Å; K128-N131 PolarHBondContact O-N 2.89Å; K128-Y167 HydrophobicContact CB-CD2 3.52Å; K128-Y167 HydrophobicContact CB-CE2 3.48Å; K128-Y167 VanDerWaalsContact CB-CE2 3.48Å; K128-Y167 HydrophobicContact CB-CG 4.32Å | ||
| 129 | P | 95.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -55.9 | -27 | -176.7 | -26.9 | 35.9 | 0 | 0 | 0 | 114.8 | L87 K88 M91 N131 L132 Y167 I191 | L87-P129 HydrophobicContact CB-CB 4.15Å; L87-P129 WeakPolarHBondContact CB-O 3.37Å; L87-P129 HydrophobicContact CD2-CB 4.24Å; L87-P129 HydrophobicContact CG-CB 4.27Å; L87-P129 PolarHBondContact N-O 3.48Å; K88-P129 HydrophobicContact CB-CB 3.89Å; K88-P129 PolarHBondContact N-O 3.44Å; M91-P129 HydrophobicContact CE-CB 3.5Å; M91-P129 VanDerWaalsContact CE-CB 3.5Å; M91-P129 HydrophobicContact CE-CG 3.57Å; P129-N131 VanDerWaalsContact C-N 3.27Å; P129-N131 PolarHBondContact O-N 2.92Å; P129-L132 PolarHBondContact O-N 3.49Å; P129-Y167 WeakPolarHBondContact CD-OH 3.46Å; P129-Y167 HydrophobicContact CG-CE1 4.2Å; P129-Y167 WeakPolarHBondContact CG-OH 3.37Å; P129-I191 HydrophobicContact CG-CG1 4.25Å |
| 130 | Q | 92.4 | Very high | 92 | Very high | 70 Ų | 70 | 45.3 Ų | 45.3 | 33% | 0.327 | 21% | 0.207 | S | C | . | . | G | 310 helix | trans | -68 | -25.3 | 175.3 | -60.2 | 86.3 | -16 | 0 | 0 | 113.4 | K88 K128 | K88-Q130 HydrophobicContact CB-CG 3.91Å; K88-Q130 HydrophobicContact CG-CG 4.17Å; K128-Q130 HydrophobicContact CG-CB 4.3Å; K128-Q130 VanDerWaalsContact CG-OE1 3.3Å; K128-Q130 PolarHBondContact O-N 2.97Å |
| 131 | N | 93 | Very high | 92.5 | Very high | 12 Ų | 12 | 41.3 Ų | 41.3 | 6% | 0.064 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | -96.3 | 9.2 | 179.1 | -68.1 | -8.3 | 0 | 0 | 0 | 112 | D126 K128 P129 A143 | D126-N131 PolarHBondContact O-ND2 2.9Å; D126-N131 PolarHBondContact OD2-ND2 3.41Å; D126-N131 VanDerWaalsContact OD2-ND2 3.13Å; K128-N131 WeakPolarHBondContact CE-ND2 3.48Å; K128-N131 HydrophobicContact CG-CB 4.28Å; K128-N131 PolarHBondContact O-N 2.89Å; P129-N131 VanDerWaalsContact C-N 3.27Å; P129-N131 PolarHBondContact O-N 2.92Å; N131-A143 WeakPolarHBondContact O-CB 3.46Å; N131-A143 PolarHBondContact O-N 3.39Å |
| 132 | L | 96.7 | Very high | 93 | Very high | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 113 | 177.2 | -57.1 | -173.9 | 0 | 0 | 0 | 108.5 | D86 L87 L110 L127 P129 I140 L142 I191 | D86-L132 CarbonylContact C-O 3.48Å; D86-L132 VanDerWaalsContact CA-O 3.28Å; D86-L132 WeakPolarHBondContact CA-O 3.28Å; L87-L132 HydrophobicContact CB-CB 3.89Å; L87-L132 HydrophobicContact CD2-CB 4.38Å; L87-L132 HydrophobicContact CD2-CD1 3.67Å; L87-L132 PolarHBondContact N-O 2.87Å; L110-L132 HydrophobicContact CD1-CD1 3.76Å; L110-L132 HydrophobicContact CD2-CD1 4Å; L110-L132 HydrophobicContact CD2-CD2 3.55Å; L110-L132 HydrophobicContact CD2-CG 4.27Å; L127-L132 HydrophobicContact CD2-CD2 4.19Å; P129-L132 PolarHBondContact O-N 3.49Å; L132-I140 HydrophobicContact CB-CD1 4.15Å; L132-I140 HydrophobicContact CB-CG1 4.37Å; L132-L142 HydrophobicContact CD2-CD2 3.56Å; L132-I191 HydrophobicContact CD1-CD1 3.97Å; L132-I191 HydrophobicContact CD1-CG2 3.94Å |
| 133 | L | 96.8 | Very high | 93.3 | Very high | 39 Ų | 39 | 29.4 Ų | 29.4 | 20% | 0.204 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 141.2 | -175.1 | -56.5 | -173.8 | 0 | 0 | 0 | 110.9 | V64 L83 Q85 D86 I140 K141 A143 | V64-L133 HydrophobicContact CG2-CD1 3.94Å; V64-L133 HydrophobicContact CG2-CG 4.42Å; L83-L133 HydrophobicContact CB-CB 3.72Å; L83-L133 HydrophobicContact CB-CD1 4.23Å; L83-L133 HydrophobicContact CD1-CB 4.2Å; L83-L133 HydrophobicContact CD1-CD1 4.18Å; L83-L133 HydrophobicContact CD2-CB 3.79Å; L83-L133 HydrophobicContact CG-CB 4.11Å; Q85-L133 WeakPolarHBondContact O-CA 3.08Å; D86-L133 HydrophobicContact CB-CD2 3.83Å; L133-I140 CarbonylContact O-C 3.5Å; L133-I140 VanDerWaalsContact O-CA 3.31Å; L133-I140 WeakPolarHBondContact O-CA 3.35Å; L133-K141 PolarHBondContact N-O 3.29Å; L133-K141 PolarHBondContact O-N 3.27Å; L133-A143 HydrophobicContact CD1-CB 3.94Å; L133-A143 HydrophobicContact CG-CB 3.9Å |
| 134 | I | 97.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 156.9 | -177.7 | 62.6 | 172.7 | 0 | 0 | 0 | 112.1 | H84 Q85 F90 Y106 E139 I140 L295 | H84-I134 PolarHBondContact N-O 2.84Å; Q85-I134 HydrophobicContact CB-CG1 4.12Å; Q85-I134 PolarHBondContact N-O 3.49Å; Q85-I134 WeakPolarHBondContact O-CG1 3.45Å; Q85-I134 PolarHBondContact O-N 3.49Å; F90-I134 HydrophobicContact CB-CD1 3.53Å; F90-I134 HydrophobicContact CD1-CD1 3.85Å; F90-I134 HydrophobicContact CD2-CD1 3.8Å; F90-I134 HydrophobicContact CE2-CD1 4.5Å; F90-I134 HydrophobicContact CG-CD1 3.43Å; F90-I134 VanDerWaalsContact CG-CD1 3.43Å; Y106-I134 HydrophobicContact CE1-CG2 4.17Å; Y106-I134 HydrophobicContact CE2-CG2 4.07Å; I134-E139 VanDerWaalsContact CA-O 3.25Å; I134-E139 WeakPolarHBondContact CA-O 3.4Å; I134-I140 HydrophobicContact CG2-CB 3.88Å; I134-I140 HydrophobicContact CG2-CD1 3.72Å; I134-I140 HydrophobicContact CG2-CG1 3.61Å; I134-L295 HydrophobicContact CD1-CD2 3.72Å; I134-L295 HydrophobicContact CG1-CD2 4.43Å |
| 135 | N | 94.9 | Very high | 92.3 | Very high | 15 Ų | 15 | 30.5 Ų | 30.5 | 8% | 0.08 | 15% | 0.147 | C | C | . | . | trans | -127.6 | 174.6 | 171.6 | 69.7 | 15.6 | 0 | 0 | 0 | 112.5 | Q137 G138 E139 P293 | N135-Q137 VanDerWaalsContact CG-OE1 3.29Å; N135-Q137 PolarHBondContact O-N 2.8Å; N135-Q137 WeakPolarHBondContact OD1-CB 3.47Å; N135-Q137 PolarHBondContact OD1-N 3.13Å; N135-Q137 VanDerWaalsContact OD1-N 3.11Å; N135-G138 PolarHBondContact O-N 3.44Å; N135-G138 PolarHBondContact OD1-N 3.02Å; N135-E139 PolarHBondContact N-O 2.81Å; N135-E139 PolarHBondContact ND2-OE2 3.45Å; N135-E139 WeakPolarHBondContact OD1-CB 3.14Å; N135-E139 PolarHBondContact OD1-N 3.01Å; N135-P293 VanDerWaalsContact O-CG 3.32Å; N135-P293 WeakPolarHBondContact O-CG 3.34Å | ||
| 136 | A | 93.7 | Very high | 91 | Very high | 27 Ų | 27 | 25.4 Ų | 25.4 | 22% | 0.223 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -14.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | G138 L295 L297 | A136-G138 VanDerWaalsContact C-N 3.29Å; A136-L295 HydrophobicContact CB-CD1 4.24Å; A136-L297 HydrophobicContact CB-CD1 4.24Å |
| 137 | Q | 94.9 | Very high | 89.8 | Confident | 107 Ų | 107 | 23.3 Ų | 23.3 | 50% | 0.5 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | 0.4 | -179.5 | -66.2 | 68.1 | 33.4 | 0 | 0 | 112.4 | N135 E139 | N135-Q137 VanDerWaalsContact CG-OE1 3.29Å; N135-Q137 PolarHBondContact O-N 2.8Å; N135-Q137 WeakPolarHBondContact OD1-CB 3.47Å; N135-Q137 PolarHBondContact OD1-N 3.13Å; N135-Q137 VanDerWaalsContact OD1-N 3.11Å; Q137-E139 HydrophobicContact CB-CG 4.38Å |
| 138 | G | 95.8 | Very high | 87.9 | Confident | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 14% | 0.14 | C | C | . | . | S | Bend | trans | 81.4 | 16.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q109 N135 A136 | Q109-G138 PolarHBondContact NE2-O 3.08Å; N135-G138 PolarHBondContact O-N 3.44Å; N135-G138 PolarHBondContact OD1-N 3.02Å; A136-G138 VanDerWaalsContact C-N 3.29Å |
| 139 | E | 97.8 | Very high | 86.1 | Confident | 71 Ų | 71 | 31 Ų | 31 | 33% | 0.332 | 16% | 0.16 | S | C | . | . | trans | -84.1 | 142 | 173.1 | -52.6 | 178.8 | 153.6 | 0 | 0 | 110.2 | Q109 I134 N135 Q137 | Q109-E139 VanDerWaalsContact OE1-CA 3.32Å; I134-E139 VanDerWaalsContact CA-O 3.25Å; I134-E139 WeakPolarHBondContact CA-O 3.4Å; N135-E139 PolarHBondContact N-O 2.81Å; N135-E139 PolarHBondContact ND2-OE2 3.45Å; N135-E139 WeakPolarHBondContact OD1-CB 3.14Å; N135-E139 PolarHBondContact OD1-N 3.01Å; Q137-E139 HydrophobicContact CB-CG 4.38Å | ||
| 140 | I | 98.4 | Very high | 84.1 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 138.2 | 168.7 | -169.2 | 162.9 | 0 | 0 | 0 | 110.1 | N62 L87 Y106 Q109 L110 L132 L133 I134 | N62-I140 PolarHBondContact ND2-O 2.76Å; N62-I140 VanDerWaalsContact ND2-O 3.1Å; L87-I140 HydrophobicContact CD1-CD1 4.39Å; L87-I140 HydrophobicContact CD2-CD1 4.35Å; Y106-I140 HydrophobicContact CD1-CB 3.67Å; Y106-I140 HydrophobicContact CD1-CD1 4.2Å; Y106-I140 HydrophobicContact CD1-CG2 3.67Å; Y106-I140 HydrophobicContact CD2-CD1 4.01Å; Y106-I140 HydrophobicContact CE1-CB 4.02Å; Y106-I140 HydrophobicContact CE1-CG2 4.46Å; Y106-I140 HydrophobicContact CG-CB 4.17Å; Y106-I140 HydrophobicContact CG-CD1 3.82Å; Y106-I140 HydrophobicContact CG-CG2 4.08Å; Q109-I140 HydrophobicContact CB-CG2 3.47Å; Q109-I140 VanDerWaalsContact CB-CG2 3.47Å; Q109-I140 HydrophobicContact CG-CG2 4.34Å; L110-I140 HydrophobicContact CD1-CD1 3.99Å; L110-I140 HydrophobicContact CD2-CD1 4.14Å; L110-I140 HydrophobicContact CD2-CG1 4Å; L110-I140 HydrophobicContact CD2-CG2 4.27Å; L110-I140 HydrophobicContact CG-CD1 4.2Å; L110-I140 HydrophobicContact CG-CG1 4.37Å; L110-I140 HydrophobicContact CG-CG2 3.99Å; L132-I140 HydrophobicContact CB-CD1 4.15Å; L132-I140 HydrophobicContact CB-CG1 4.37Å; L133-I140 CarbonylContact O-C 3.5Å; L133-I140 VanDerWaalsContact O-CA 3.31Å; L133-I140 WeakPolarHBondContact O-CA 3.35Å; I134-I140 HydrophobicContact CG2-CB 3.88Å; I134-I140 HydrophobicContact CG2-CD1 3.72Å; I134-I140 HydrophobicContact CG2-CG1 3.61Å |
| 141 | K | 97.9 | Very high | 82.1 | Confident | 19 Ų | 19 | 29 Ų | 29 | 8% | 0.083 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 139.9 | -175.6 | -54.9 | -163.3 | -177.7 | -160.7 | 0 | 112.1 | P61 N62 V64 E81 L83 L133 | P61-K141 VanDerWaalsContact O-CD 3.32Å; P61-K141 WeakPolarHBondContact O-CD 3.19Å; P61-K141 WeakPolarHBondContact O-CE 3.37Å; P61-K141 WeakPolarHBondContact O-CG 3.24Å; P61-K141 PolarHBondContact O-NZ 3.08Å; N62-K141 WeakPolarHBondContact O-CA 3.47Å; V64-K141 HydrophobicContact CG2-CB 3.7Å; E81-K141 VanDerWaalsContact CD-NZ 3.26Å; E81-K141 IonicContact OE1-NZ 2.99Å; E81-K141 PolarHBondContact OE1-NZ 3.32Å; E81-K141 IonicContact OE2-NZ 2.76Å; E81-K141 PolarHBondContact OE2-NZ 2.94Å; L83-K141 HydrophobicContact CD1-CD 4.25Å; L83-K141 HydrophobicContact CD2-CB 4.2Å; L83-K141 HydrophobicContact CD2-CD 4.04Å; L83-K141 HydrophobicContact CD2-CG 3.91Å; L133-K141 PolarHBondContact N-O 3.29Å; L133-K141 PolarHBondContact O-N 3.27Å |
| 142 | L | 95.6 | Very high | 79.8 | Confident | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 124.1 | 172.4 | -61.8 | 171.2 | 0 | 0 | 0 | 109.6 | N62 I63 V64 L110 L114 L127 L132 F145 | N62-L142 WeakPolarHBondContact O-CG 3.42Å; N62-L142 PolarHBondContact O-N 3.37Å; I63-L142 HydrophobicContact CG1-CD1 4.49Å; V64-L142 WeakPolarHBondContact CG2-O 3.46Å; V64-L142 PolarHBondContact N-O 3.03Å; L110-L142 HydrophobicContact CD2-CD2 3.53Å; L110-L142 HydrophobicContact CD2-CG 4.12Å; L114-L142 HydrophobicContact CD2-CD1 3.86Å; L114-L142 HydrophobicContact CG-CD1 4Å; L127-L142 HydrophobicContact CD2-CD2 3.6Å; L132-L142 HydrophobicContact CD2-CD2 3.56Å; L142-F145 HydrophobicContact CB-CD2 4.44Å; L142-F145 HydrophobicContact CB-CE2 3.3Å; L142-F145 HydrophobicContact CB-CZ 3.44Å; L142-F145 VanDerWaalsContact CB-CZ 3.44Å; L142-F145 HydrophobicContact CD1-CE2 4.33Å; L142-F145 HydrophobicContact CD1-CZ 3.63Å; L142-F145 HydrophobicContact CG-CE2 4.42Å; L142-F145 HydrophobicContact CG-CZ 4.14Å; L142-F145 WeakPolarHBondContact O-CE2 3.38Å |
| 143 | A | 91.3 | Very high | 77 | Confident | 8 Ų | 8 | 33.8 Ų | 33.8 | 7% | 0.066 | 19% | 0.193 | C | C | . | . | trans | -115.1 | 169 | 180 | 0 | 0 | 0 | 0 | 0 | 112.1 | V64 H124 N131 L133 F145 | V64-A143 HydrophobicContact CB-CB 4.33Å; V64-A143 HydrophobicContact CG2-CB 3.7Å; H124-A143 PolarHBondContact NE2-O 3.31Å; N131-A143 WeakPolarHBondContact O-CB 3.46Å; N131-A143 PolarHBondContact O-N 3.39Å; L133-A143 HydrophobicContact CD1-CB 3.94Å; L133-A143 HydrophobicContact CG-CB 3.9Å; A143-F145 VanDerWaalsContact C-N 3.29Å; A143-F145 PolarHBondContact O-N 2.87Å | ||
| 144 | D | 79.5 | Confident | 74 | Confident | 49 Ų | 49 | 36.4 Ų | 36.4 | 26% | 0.262 | 21% | 0.213 | S | C | . | . | S | Bend | trans | 59 | 31.5 | 172.1 | -78.1 | -5.8 | 0 | 0 | 0 | 115.9 | K33 G146 | K33-D144 IonicContact NZ-OD1 3.45Å; K33-D144 PolarHBondContact NZ-OD1 3.42Å; K33-D144 IonicContact NZ-OD2 2.64Å; K33-D144 PolarHBondContact NZ-OD2 2.85Å; D144-G146 PolarHBondContact O-N 3.17Å |
| 145 | F | 70.7 | Confident | 71.3 | Confident | 13 Ų | 13 | 41.7 Ų | 41.7 | 6% | 0.057 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | 133.5 | 170.2 | -79 | -81.8 | 0 | 0 | 0 | 112.7 | L55 I63 C117 V122 H124 L142 A143 L147 | L55-F145 WeakPolarHBondContact CD1-O 3.32Å; L55-F145 HydrophobicContact CD2-CB 4.13Å; I63-F145 HydrophobicContact CB-CE2 4.24Å; I63-F145 HydrophobicContact CD1-CE2 4.34Å; I63-F145 HydrophobicContact CD1-CZ 4.28Å; I63-F145 HydrophobicContact CG1-CE2 3.91Å; I63-F145 HydrophobicContact CG1-CZ 4.12Å; I63-F145 HydrophobicContact CG2-CD2 4Å; I63-F145 HydrophobicContact CG2-CE2 3.65Å; C117-F145 HydrophobicContact CB-CE1 4.14Å; C117-F145 WeakPolarHBondContact SG-CE1 3.48Å; C117-F145 WeakPolarHBondContact SG-CZ 3.04Å; V122-F145 HydrophobicContact CG1-CD1 4.12Å; H124-F145 HydrophobicContact CB-CD1 4.23Å; H124-F145 HydrophobicContact CB-CE1 4Å; H124-F145 AromaticContact CD2-CE1 3.79Å; L142-F145 HydrophobicContact CB-CD2 4.44Å; L142-F145 HydrophobicContact CB-CE2 3.3Å; L142-F145 HydrophobicContact CB-CZ 3.44Å; L142-F145 VanDerWaalsContact CB-CZ 3.44Å; L142-F145 HydrophobicContact CD1-CE2 4.33Å; L142-F145 HydrophobicContact CD1-CZ 3.63Å; L142-F145 HydrophobicContact CG-CE2 4.42Å; L142-F145 HydrophobicContact CG-CZ 4.14Å; L142-F145 WeakPolarHBondContact O-CE2 3.38Å; A143-F145 VanDerWaalsContact C-N 3.29Å; A143-F145 PolarHBondContact O-N 2.87Å; F145-L147 PolarHBondContact O-N 3.22Å |
| 146 | G | 58.9 | Low | 68.5 | Low | 19 Ų | 19 | 46.7 Ų | 46.7 | 20% | 0.196 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 66.5 | -0.9 | 153.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | D144 A148 R149 A150 | D144-G146 PolarHBondContact O-N 3.17Å; G146-A148 PolarHBondContact O-N 2.93Å; G146-R149 PolarHBondContact O-N 3.15Å; G146-A150 PolarHBondContact O-N 2.79Å |
| 147 | L | 58.8 | Low | 65.5 | Low | 2 Ų | 2 | 51.1 Ų | 51.1 | 1% | 0.01 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.6 | -35.3 | 179.9 | -58.9 | 175.6 | 0 | 0 | 0 | 111 | Y15 K33 L55 L78 F145 R149 F151 | Y15-L147 HydrophobicContact CG-CB 4.42Å; K33-L147 HydrophobicContact CD-CD1 4.18Å; L55-L147 HydrophobicContact CD1-CD2 4.34Å; L78-L147 HydrophobicContact CD1-CD2 3.54Å; F145-L147 PolarHBondContact O-N 3.22Å; L147-R149 VanDerWaalsContact C-N 3.27Å; L147-R149 PolarHBondContact O-N 2.8Å; L147-F151 HydrophobicContact CB-CD2 4.24Å; L147-F151 HydrophobicContact CB-CE2 4.24Å; L147-F151 HydrophobicContact CD2-CE2 3.9Å; L147-F151 WeakPolarHBondContact O-CD2 3.33Å; L147-F151 PolarHBondContact O-N 3.38Å |
| 148 | A | 52.5 | Low | 62.8 | Low | 46 Ų | 46 | 52.8 Ų | 52.8 | 38% | 0.38 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61.8 | -32 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y15 G146 | Y15-A148 HydrophobicContact CE1-CB 4.4Å; Y15-A148 WeakPolarHBondContact OH-CB 3.48Å; G146-A148 PolarHBondContact O-N 2.93Å |
| 149 | R | 56.2 | Low | 59.7 | Low | 151 Ų | 151 | 56.7 Ų | 56.7 | 57% | 0.57 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -85.2 | -44.9 | -179.5 | -172.9 | -177.7 | 154.2 | -178.1 | -5.1 | 111 | E51 G146 L147 F151 G152 | E51-R149 VanDerWaalsContact OE2-C 3.26Å; E51-R149 WeakPolarHBondContact OE2-CG 3.46Å; E51-R149 IonicContact OE2-NE 3.9Å; G146-R149 PolarHBondContact O-N 3.15Å; L147-R149 VanDerWaalsContact C-N 3.27Å; L147-R149 PolarHBondContact O-N 2.8Å; R149-F151 PolarHBondContact O-N 3.26Å; R149-G152 PolarHBondContact O-N 3.31Å |
| 150 | A | 52.3 | Low | 56.7 | Low | 4 Ų | 4 | 62.9 Ų | 62.9 | 3% | 0.033 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -60.7 | -43.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | A48 E51 I52 G146 G152 | A48-A150 WeakPolarHBondContact CA-O 3.3Å; A48-A150 WeakPolarHBondContact CB-O 3.32Å; E51-A150 HydrophobicContact CB-CB 3.51Å; E51-A150 WeakPolarHBondContact OE2-CA 3.31Å; E51-A150 PolarHBondContact OE2-N 3.19Å; E51-A150 VanDerWaalsContact OE2-N 3.12Å; I52-A150 HydrophobicContact CG1-CB 4.05Å; G146-A150 PolarHBondContact O-N 2.79Å; A150-G152 PolarHBondContact O-N 3.31Å |
| 151 | F | 51.4 | Low | 53.6 | Low | 26 Ų | 26 | 70.8 Ų | 70.8 | 11% | 0.114 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | 0.2 | -175.8 | -69.4 | -67.3 | 0 | 0 | 0 | 114.1 | I35 A48 I52 L76 L147 R149 V153 | I35-F151 HydrophobicContact CB-CZ 4.25Å; I35-F151 HydrophobicContact CD1-CE2 3.97Å; I35-F151 HydrophobicContact CD1-CZ 3.99Å; I35-F151 HydrophobicContact CG1-CE2 4.26Å; I35-F151 HydrophobicContact CG1-CZ 3.77Å; I35-F151 HydrophobicContact CG2-CD1 4.3Å; I35-F151 HydrophobicContact CG2-CD2 4.47Å; I35-F151 HydrophobicContact CG2-CE1 3.76Å; I35-F151 HydrophobicContact CG2-CE2 3.97Å; I35-F151 HydrophobicContact CG2-CZ 3.58Å; A48-F151 HydrophobicContact CB-CD1 3.85Å; A48-F151 HydrophobicContact CB-CE1 4.13Å; I52-F151 HydrophobicContact CD1-CE1 3.66Å; I52-F151 HydrophobicContact CD1-CE2 4.03Å; I52-F151 HydrophobicContact CD1-CZ 3.25Å; I52-F151 HydrophobicContact CG1-CZ 4.2Å; L76-F151 HydrophobicContact CD2-CE1 3.53Å; L76-F151 HydrophobicContact CD2-CZ 3.63Å; L147-F151 HydrophobicContact CB-CD2 4.24Å; L147-F151 HydrophobicContact CB-CE2 4.24Å; L147-F151 HydrophobicContact CD2-CE2 3.9Å; L147-F151 WeakPolarHBondContact O-CD2 3.33Å; L147-F151 PolarHBondContact O-N 3.38Å; R149-F151 PolarHBondContact O-N 3.26Å; F151-V153 HydrophobicContact CB-CG2 3.73Å; F151-V153 PolarHBondContact O-N 3.06Å |
| 152 | G | 44.8 | Very low | 51.3 | Low | 63 Ų | 63 | 76.4 Ų | 76.4 | 65% | 0.649 | 42% | 0.415 | S | S | * | . | trans | 55.4 | 10.2 | 179 | 0 | 0 | 0 | 0 | 0 | 113.9 | R149 A150 | R149-G152 PolarHBondContact O-N 3.31Å; A150-G152 PolarHBondContact O-N 3.31Å | ||
| 153 | V | 37.9 | Very low | 49.8 | Very low | 49 Ų | 49 | 80.7 Ų | 80.7 | 30% | 0.297 | 44% | 0.441 | S | S | . | . | trans | -64.1 | 122.6 | 177.5 | -174.7 | 0 | 0 | 0 | 0 | 103.3 | F151 V155 | F151-V153 HydrophobicContact CB-CG2 3.73Å; F151-V153 PolarHBondContact O-N 3.06Å; V153-V155 PolarHBondContact O-N 3.28Å; V153-V155 VanDerWaalsContact O-N 3.1Å | ||
| 154 | P | 34.2 | Very low | 49.1 | Very low | 94 Ų | 94 | 82.3 Ų | 82.3 | 61% | 0.61 | 45% | 0.45 | S | S | * | . | trans | -46 | 131.9 | 169.7 | 19.6 | -30.4 | 0 | 0 | 0 | 105.8 | R156 | P154-R156 WeakPolarHBondContact O-CA 3.28Å; P154-R156 PolarHBondContact O-N 3.13Å | ||
| 155 | V | 40.6 | Very low | 49.6 | Very low | 111 Ų | 111 | 80.9 Ų | 80.9 | 67% | 0.673 | 44% | 0.442 | S | S | * | . | S | Bend | trans | -44.5 | 104.1 | 159.8 | 177.1 | 0 | 0 | 0 | 0 | 102.6 | V153 T157 | V153-V155 PolarHBondContact O-N 3.28Å; V153-V155 VanDerWaalsContact O-N 3.1Å; V155-T157 PolarHBondContact O-N 2.76Å |
| 156 | R | 35.5 | Very low | 50.9 | Low | 121 Ų | 121 | 84.3 Ų | 84.3 | 46% | 0.457 | 46% | 0.455 | S | S | . | . | trans | -46.2 | 138.1 | -153.7 | -80.9 | 178.4 | 172.3 | -177.8 | -5.5 | 107.5 | P154 Y158 | P154-R156 WeakPolarHBondContact O-CA 3.28Å; P154-R156 PolarHBondContact O-N 3.13Å; R156-Y158 WeakPolarHBondContact O-CA 3.33Å; R156-Y158 PolarHBondContact O-N 2.93Å | ||
| 157 | T | 31.3 | Very low | 52.6 | Low | 119 Ų | 119 | 83.9 Ų | 83.9 | 73% | 0.73 | 45% | 0.447 | S | S | * | . | trans | -38.4 | 114.1 | 160.3 | 27.5 | 0 | 0 | 0 | 0 | 106.1 | V155 T159 | V155-T157 PolarHBondContact O-N 2.76Å; T157-T159 PolarHBondContact O-N 3.45Å | ||
| 158 | Y | 36.8 | Very low | 54.3 | Low | 143 Ų | 143 | 85.8 Ų | 85.8 | 56% | 0.561 | 45% | 0.454 | S | S | * | . | trans | -52.4 | 84.2 | -163.1 | -73 | -86 | 0 | 0 | 0 | 110.6 | R156 H160 | R156-Y158 WeakPolarHBondContact O-CA 3.33Å; R156-Y158 PolarHBondContact O-N 2.93Å; Y158-H160 PolarHBondContact O-N 2.85Å | ||
| 159 | T | 32.3 | Very low | 56.4 | Low | 82 Ų | 82 | 83.7 Ų | 83.7 | 50% | 0.503 | 44% | 0.437 | S | S | . | . | trans | -74.8 | 121.3 | 172.2 | 47.3 | 0 | 0 | 0 | 0 | 104.8 | T157 E161 | T157-T159 PolarHBondContact O-N 3.45Å; T159-E161 PolarHBondContact O-N 3.05Å | ||
| 160 | H | 33.3 | Very low | 58.4 | Low | 200 Ų | 200 | 76.5 Ų | 76.5 | 93% | 0.926 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -55.3 | 6 | -175.8 | -79.8 | -89.2 | 0 | 0 | 0 | 115.8 | Y158 V162 | Y158-H160 PolarHBondContact O-N 2.85Å; H160-V162 PolarHBondContact O-N 3.14Å |
| 161 | E | 33.8 | Very low | 60.4 | Low | 166 Ų | 166 | 76.5 Ų | 76.5 | 78% | 0.776 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -87.6 | 93.7 | 172.6 | -68.1 | -172.9 | 158.9 | 0 | 0 | 111.2 | T159 | T159-E161 PolarHBondContact O-N 3.05Š|
| 162 | V | 49.8 | Very low | 62.3 | Low | 138 Ų | 138 | 76.6 Ų | 76.6 | 84% | 0.836 | 41% | 0.41 | S | S | * | . | trans | 57.1 | 59.5 | 146.7 | -155.2 | 0 | 0 | 0 | 0 | 116.9 | H160 | H160-V162 PolarHBondContact O-N 3.14Š| ||
| 163 | V | 63.1 | Low | 64.7 | Low | 90 Ų | 90 | 73.8 Ų | 73.8 | 55% | 0.545 | 38% | 0.381 | S | S | . | . | trans | -95.6 | 124.4 | 156.4 | -178.8 | 0 | 0 | 0 | 0 | 108.9 | L165 | V163-L165 PolarHBondContact O-N 3.1Å; V163-L165 VanDerWaalsContact O-N 3.12Å | ||
| 164 | T | 77.3 | Confident | 67.4 | Low | 42 Ų | 42 | 71.5 Ų | 71.5 | 26% | 0.258 | 37% | 0.367 | S | S | . | . | trans | -65.9 | 111.9 | 179.7 | -49.8 | 0 | 0 | 0 | 0 | 111.1 | W166 Y167 | T164-W166 VanDerWaalsContact C-N 3.35Å; T164-W166 HydrophobicContact CG2-CB 3.97Å; T164-W166 HydrophobicContact CG2-CD2 3.73Å; T164-W166 HydrophobicContact CG2-CE3 3.98Å; T164-W166 HydrophobicContact CG2-CG 3.72Å; T164-Y167 HydrophobicContact CG2-CD2 4.09Å; T164-Y167 HydrophobicContact CG2-CE2 3.71Å | ||
| 165 | L | 90.8 | Very high | 70 | Confident | 19 Ų | 19 | 68 Ų | 68 | 10% | 0.099 | 35% | 0.347 | C | S | . | . | trans | -81.3 | -13.8 | 179.2 | -62.4 | 177.6 | 0 | 0 | 0 | 113.6 | V163 Y167 R168 E207 Q210 | V163-L165 PolarHBondContact O-N 3.1Å; V163-L165 VanDerWaalsContact O-N 3.12Å; L165-Y167 PolarHBondContact O-N 2.64Å; L165-R168 VanDerWaalsContact O-CB 3.28Å; L165-R168 WeakPolarHBondContact O-CB 3.27Å; L165-R168 PolarHBondContact O-N 2.67Å; L165-E207 HydrophobicContact CD1-CG 4.24Å; L165-E207 HydrophobicContact CD2-CG 4.39Å; L165-Q210 HydrophobicContact CB-CB 4.35Å; L165-Q210 HydrophobicContact CB-CG 4.11Å | ||
| 166 | W | 96.3 | Very high | 72.2 | Confident | 86 Ų | 86 | 64.2 Ų | 64.2 | 33% | 0.326 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -22 | -161.6 | -54.6 | -12.8 | 0 | 0 | 0 | 115.2 | T164 A200 F202 P203 G204 | T164-W166 VanDerWaalsContact C-N 3.35Å; T164-W166 HydrophobicContact CG2-CB 3.97Å; T164-W166 HydrophobicContact CG2-CD2 3.73Å; T164-W166 HydrophobicContact CG2-CE3 3.98Å; T164-W166 HydrophobicContact CG2-CG 3.72Å; W166-A200 HydrophobicContact CD2-CB 4.09Å; W166-A200 HydrophobicContact CE3-CB 3.46Å; W166-A200 VanDerWaalsContact CE3-CB 3.46Å; W166-A200 HydrophobicContact CZ3-CB 3.86Å; W166-F202 VanDerWaalsContact CA-O 3.32Å; W166-F202 WeakPolarHBondContact CA-O 3.36Å; W166-F202 WeakPolarHBondContact CB-O 3.49Å; W166-P203 HydrophobicContact CD2-CB 4.33Å; W166-P203 HydrophobicContact CZ2-CB 4.25Å; W166-G204 PolarHBondContact NE1-O 2.7Å |
| 167 | Y | 96.4 | Very high | 74 | Confident | 9 Ų | 9 | 66.7 Ų | 66.7 | 4% | 0.035 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.4 | 4.3 | -178.5 | -44.4 | -78.8 | 0 | 0 | 0 | 112.6 | L127 K128 P129 T164 L165 S187 C190 I191 E194 | L127-Y167 VanDerWaalsContact O-CB 3.28Å; L127-Y167 WeakPolarHBondContact O-CB 3.24Å; K128-Y167 HydrophobicContact CB-CD2 3.52Å; K128-Y167 HydrophobicContact CB-CE2 3.48Å; K128-Y167 VanDerWaalsContact CB-CE2 3.48Å; K128-Y167 HydrophobicContact CB-CG 4.32Å; P129-Y167 WeakPolarHBondContact CD-OH 3.46Å; P129-Y167 HydrophobicContact CG-CE1 4.2Å; P129-Y167 WeakPolarHBondContact CG-OH 3.37Å; T164-Y167 HydrophobicContact CG2-CD2 4.09Å; T164-Y167 HydrophobicContact CG2-CE2 3.71Å; L165-Y167 PolarHBondContact O-N 2.64Å; Y167-S187 WeakPolarHBondContact O-CA 3.44Å; Y167-S187 WeakPolarHBondContact O-CB 3.38Å; Y167-S187 PolarHBondContact O-OG 2.87Å; Y167-C190 HydrophobicContact CD1-CB 3.79Å; Y167-C190 HydrophobicContact CE1-CB 4.49Å; Y167-I191 HydrophobicContact CD1-CD1 4.44Å; Y167-I191 HydrophobicContact CD1-CG1 3.7Å; Y167-I191 HydrophobicContact CE1-CG1 3.75Å; Y167-E194 WeakPolarHBondContact CE1-OE2 3.3Å; Y167-E194 PolarHBondContact OH-OE2 3.35Å |
| 168 | R | 94.6 | Very high | 76.1 | Confident | 42 Ų | 42 | 70.5 Ų | 70.5 | 16% | 0.158 | 34% | 0.342 | C | S | . | . | trans | -76.6 | 133.3 | -177.4 | -168.1 | 177.9 | -70.8 | 176.2 | 1.9 | 110.7 | L165 I172 L173 W186 E207 | L165-R168 VanDerWaalsContact O-CB 3.28Å; L165-R168 WeakPolarHBondContact O-CB 3.27Å; L165-R168 PolarHBondContact O-N 2.67Å; R168-I172 HydrophobicContact CG-CB 3.95Å; R168-I172 HydrophobicContact CG-CG2 4Å; R168-L173 HydrophobicContact CB-CG 4.39Å; R168-L173 HydrophobicContact CG-CD2 4.29Å; R168-L173 HydrophobicContact CG-CG 4.06Å; R168-W186 PolarHBondContact O-NE1 3.44Å; R168-W186 VanDerWaalsContact O-NE1 3.11Å; R168-E207 IonicContact NH1-OE1 3.5Å; R168-E207 PolarHBondContact NH1-OE1 2.67Å | ||
| 169 | A | 96.1 | Very high | 77.9 | Confident | 2 Ų | 2 | 68.7 Ų | 68.7 | 2% | 0.017 | 34% | 0.335 | C | S | . | . | trans | -71.3 | 148.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | E171 I172 L173 V183 W186 | A169-E171 VanDerWaalsContact C-N 3.26Å; A169-E171 VanDerWaalsContact CB-CD 3.48Å; A169-E171 HydrophobicContact CB-CG 4.37Å; A169-E171 WeakPolarHBondContact CB-OE1 3.47Å; A169-E171 WeakPolarHBondContact CB-OE2 3.15Å; A169-E171 PolarHBondContact O-N 2.75Å; A169-I172 HydrophobicContact CB-CG1 4.48Å; A169-I172 PolarHBondContact O-N 3.46Å; A169-I172 VanDerWaalsContact O-N 3.09Å; A169-L173 PolarHBondContact O-N 3.42Å; A169-V183 HydrophobicContact CB-CB 4.24Å; A169-V183 HydrophobicContact CB-CG1 4.27Å; A169-W186 VanDerWaalsContact CA-CD1 3.41Å; A169-W186 HydrophobicContact CB-CB 3.78Å; A169-W186 HydrophobicContact CB-CD2 4.31Å; A169-W186 HydrophobicContact CB-CG 3.7Å | ||
| 170 | P | 97.3 | Very high | 80.4 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63.4 | -30.8 | -174.7 | 26.4 | -35.6 | 0 | 0 | 0 | 112.5 | I172 L173 L174 W186 L211 W226 Y268 | P170-I172 PolarHBondContact O-N 3.03Å; P170-L173 PolarHBondContact O-N 3.3Å; P170-L174 WeakPolarHBondContact O-CB 3.41Å; P170-L174 VanDerWaalsContact O-CG 3.31Å; P170-L174 WeakPolarHBondContact O-CG 3.44Å; P170-L174 PolarHBondContact O-N 3.39Å; P170-W186 HydrophobicContact CG-CE3 4.22Å; P170-W186 HydrophobicContact CG-CH2 3.85Å; P170-W186 HydrophobicContact CG-CZ2 4.25Å; P170-W186 HydrophobicContact CG-CZ3 3.84Å; P170-L211 HydrophobicContact CB-CD2 4.43Å; P170-W226 HydrophobicContact CB-CH2 4.29Å; P170-W226 HydrophobicContact CB-CZ3 4.01Å; P170-W226 HydrophobicContact CG-CH2 4.18Å; P170-W226 HydrophobicContact CG-CZ3 4.05Å; P170-Y268 HydrophobicContact CB-CD1 4.27Å; P170-Y268 HydrophobicContact CB-CE1 4.33Å; P170-Y268 HydrophobicContact CG-CD1 3.92Å; P170-Y268 HydrophobicContact CG-CE1 4.32Å |
| 171 | E | 94.9 | Very high | 83.2 | Confident | 4 Ų | 4 | 60.1 Ų | 60.1 | 2% | 0.019 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.5 | -32.7 | 176.9 | 60.1 | -88.6 | -153.5 | 0 | 0 | 112.3 | A169 G175 C176 V183 W226 M232 P270 R273 | A169-E171 VanDerWaalsContact C-N 3.26Å; A169-E171 VanDerWaalsContact CB-CD 3.48Å; A169-E171 HydrophobicContact CB-CG 4.37Å; A169-E171 WeakPolarHBondContact CB-OE1 3.47Å; A169-E171 WeakPolarHBondContact CB-OE2 3.15Å; A169-E171 PolarHBondContact O-N 2.75Å; E171-G175 PolarHBondContact O-N 3.28Å; E171-C176 HydrophobicContact CB-CB 4.09Å; E171-C176 WeakPolarHBondContact O-CA 3.49Å; E171-C176 WeakPolarHBondContact O-CB 3.34Å; E171-C176 PolarHBondContact O-N 2.63Å; E171-V183 HydrophobicContact CG-CG1 4.4Å; E171-W226 HydrophobicContact CB-CH2 3.73Å; E171-W226 HydrophobicContact CB-CZ2 3.84Å; E171-M232 HydrophobicContact CB-CE 4.38Å; E171-P270 HydrophobicContact CB-CG 4.12Å; E171-P270 HydrophobicContact CG-CG 4.04Å; E171-R273 IonicContact OE1-CZ 2.61Å; E171-R273 IonicContact OE1-NH1 3.97Å; E171-R273 PolarHBondContact OE1-NH1 2.97Å; E171-R273 IonicContact OE1-NH2 3.96Å; E171-R273 PolarHBondContact OE1-NH2 3Å; E171-R273 IonicContact OE2-CZ 2.76Å; E171-R273 IonicContact OE2-NH1 3.05Å; E171-R273 PolarHBondContact OE2-NH1 3.37Å; E171-R273 IonicContact OE2-NH2 3.74Å; E171-R273 PolarHBondContact OE2-NH2 2.83Å |
| 172 | I | 92.3 | Very high | 86.1 | Confident | 28 Ų | 28 | 52.5 Ų | 52.5 | 14% | 0.144 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -76.3 | -40.1 | 177.5 | -54.3 | -47.8 | 0 | 0 | 0 | 110.1 | R168 A169 P170 L174 G175 Y179 V183 | R168-I172 HydrophobicContact CG-CB 3.95Å; R168-I172 HydrophobicContact CG-CG2 4Å; A169-I172 HydrophobicContact CB-CG1 4.48Å; A169-I172 PolarHBondContact O-N 3.46Å; A169-I172 VanDerWaalsContact O-N 3.09Å; P170-I172 PolarHBondContact O-N 3.03Å; I172-L174 PolarHBondContact O-N 2.96Å; I172-G175 PolarHBondContact O-N 2.97Å; I172-Y179 HydrophobicContact CD1-CD1 3.38Å; I172-Y179 HydrophobicContact CD1-CE1 3.38Å; I172-Y179 HydrophobicContact CD1-CG 4.34Å; I172-Y179 HydrophobicContact CG1-CD1 4.26Å; I172-Y179 HydrophobicContact CG1-CE1 4.11Å; I172-Y179 HydrophobicContact CG2-CE1 4.22Å; I172-V183 HydrophobicContact CD1-CG1 3.98Å; I172-V183 HydrophobicContact CG1-CG1 3.96Å |
| 173 | L | 94.1 | Very high | 88.2 | Confident | 5 Ų | 5 | 46.3 Ų | 46.3 | 3% | 0.026 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -67.1 | -24.6 | 175.9 | -68.6 | 165 | 0 | 0 | 0 | 113.1 | R168 A169 P170 G175 E207 Q210 L211 I214 | R168-L173 HydrophobicContact CB-CG 4.39Å; R168-L173 HydrophobicContact CG-CD2 4.29Å; R168-L173 HydrophobicContact CG-CG 4.06Å; A169-L173 PolarHBondContact O-N 3.42Å; P170-L173 PolarHBondContact O-N 3.3Å; L173-G175 VanDerWaalsContact C-N 3.34Å; L173-E207 HydrophobicContact CD2-CB 4.03Å; L173-E207 HydrophobicContact CD2-CG 4.2Å; L173-Q210 HydrophobicContact CD1-CB 4.21Å; L173-Q210 HydrophobicContact CD1-CG 3.54Å; L173-Q210 HydrophobicContact CD2-CB 4.32Å; L173-Q210 HydrophobicContact CD2-CG 4.17Å; L173-L211 HydrophobicContact CB-CD1 4.07Å; L173-L211 HydrophobicContact CB-CD2 3.61Å; L173-L211 HydrophobicContact CB-CG 3.71Å; L173-L211 HydrophobicContact CD1-CD2 4.01Å; L173-L211 HydrophobicContact CD1-CG 4.11Å; L173-L211 HydrophobicContact CG-CD2 4.45Å; L173-L211 HydrophobicContact CG-CG 4.44Å; L173-I214 HydrophobicContact CD1-CD1 3.78Å |
| 174 | L | 95.6 | Very high | 89.7 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | 10 | 176.1 | -69.1 | 170.7 | 0 | 0 | 0 | 113.3 | P170 I172 L211 W226 V229 M232 P233 D234 F239 | P170-L174 WeakPolarHBondContact O-CB 3.41Å; P170-L174 VanDerWaalsContact O-CG 3.31Å; P170-L174 WeakPolarHBondContact O-CG 3.44Å; P170-L174 PolarHBondContact O-N 3.39Å; I172-L174 PolarHBondContact O-N 2.96Å; L174-L211 HydrophobicContact CD2-CD1 3.89Å; L174-L211 HydrophobicContact CD2-CD2 4.26Å; L174-L211 HydrophobicContact CG-CD1 4.4Å; L174-L211 HydrophobicContact CG-CD2 4.07Å; L174-W226 HydrophobicContact CD1-CH2 4.23Å; L174-W226 HydrophobicContact CD1-CZ3 3.85Å; L174-V229 HydrophobicContact CD1-CG2 4.03Å; L174-M232 HydrophobicContact CB-CB 4.05Å; L174-M232 HydrophobicContact CB-CG 4.44Å; L174-M232 HydrophobicContact CB-SD 3.49Å; L174-M232 WeakPolarHBondContact CB-SD 3.47Å; L174-M232 HydrophobicContact CD1-SD 3.63Å; L174-M232 HydrophobicContact CG-SD 4.21Å; L174-P233 WeakPolarHBondContact O-CD 3.42Å; L174-D234 PolarHBondContact O-N 2.81Å; L174-D234 VanDerWaalsContact O-N 3.1Å; L174-F239 HydrophobicContact CD2-CE2 4.03Å |
| 175 | G | 88.8 | Confident | 90.8 | Very high | 20 Ų | 20 | 40 Ų | 40 | 21% | 0.206 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.4 | 14.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | E171 I172 L173 K177 D234 | E171-G175 PolarHBondContact O-N 3.28Å; I172-G175 PolarHBondContact O-N 2.97Å; L173-G175 VanDerWaalsContact C-N 3.34Å; G175-K177 PolarHBondContact O-N 3.13Å; G175-D234 VanDerWaalsContact CA-OD2 3.25Å; G175-D234 WeakPolarHBondContact CA-OD2 3.44Å; G175-D234 PolarHBondContact N-OD2 2.78Å |
| 176 | C | 85.3 | Confident | 91.1 | Very high | 32 Ų | 32 | 39.1 Ų | 39.1 | 22% | 0.216 | 18% | 0.184 | C | C | . | . | trans | -62.1 | 121.9 | 173.8 | -172.9 | 0 | 0 | 0 | 0 | 110.2 | E171 Y178 | E171-C176 HydrophobicContact CB-CB 4.09Å; E171-C176 WeakPolarHBondContact O-CA 3.49Å; E171-C176 WeakPolarHBondContact O-CB 3.34Å; E171-C176 PolarHBondContact O-N 2.63Å; C176-Y178 VanDerWaalsContact C-N 3.29Å; C176-Y178 PolarHBondContact O-N 3.09Å | ||
| 177 | K | 74.4 | Confident | 91.2 | Very high | 174 Ų | 174 | 35.5 Ų | 35.5 | 76% | 0.757 | 17% | 0.171 | S | C | * | . | trans | -76 | -17.1 | -179.5 | -64 | -174.6 | 178.7 | -179.7 | 0 | 113.4 | G175 Y179 | G175-K177 PolarHBondContact O-N 3.13Å; K177-Y179 WeakPolarHBondContact O-CE2 3.32Å | ||
| 178 | Y | 74.7 | Confident | 91.3 | Very high | 198 Ų | 198 | 35.1 Ų | 35.1 | 78% | 0.776 | 17% | 0.17 | S | C | * | . | trans | -98.6 | 113.5 | -174.4 | -59.9 | -76.2 | 0 | 0 | 0 | 110.7 | C176 | C176-Y178 VanDerWaalsContact C-N 3.29Å; C176-Y178 PolarHBondContact O-N 3.09Å | ||
| 179 | Y | 73.9 | Confident | 91.5 | Very high | 105 Ų | 105 | 33.1 Ų | 33.1 | 41% | 0.412 | 16% | 0.162 | S | C | . | . | trans | -88.9 | 133.6 | 175.1 | -55.5 | -92.3 | 0 | 0 | 0 | 109.8 | I172 K177 | I172-Y179 HydrophobicContact CD1-CD1 3.38Å; I172-Y179 HydrophobicContact CD1-CE1 3.38Å; I172-Y179 HydrophobicContact CD1-CG 4.34Å; I172-Y179 HydrophobicContact CG1-CD1 4.26Å; I172-Y179 HydrophobicContact CG1-CE1 4.11Å; I172-Y179 HydrophobicContact CG2-CE1 4.22Å; K177-Y179 WeakPolarHBondContact O-CE2 3.32Å | ||
| 180 | S | 85.4 | Confident | 91.7 | Very high | 47 Ų | 47 | 33 Ų | 33 | 33% | 0.329 | 16% | 0.162 | S | C | . | . | trans | -121.6 | 177.5 | 170.5 | 76.9 | 0 | 0 | 0 | 0 | 110.7 | A182 V183 | S180-A182 PolarHBondContact O-N 3.35Å; S180-A182 VanDerWaalsContact O-N 3.15Å; S180-A182 VanDerWaalsContact OG-CB 3.27Å; S180-A182 WeakPolarHBondContact OG-CB 3.31Å; S180-A182 PolarHBondContact OG-N 3.14Å; S180-V183 WeakPolarHBondContact O-CG2 3.41Å; S180-V183 PolarHBondContact O-N 3.28Å | ||
| 181 | T | 91.4 | Very high | 91.7 | Very high | 56 Ų | 56 | 33 Ų | 33 | 34% | 0.344 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -20.5 | 172.7 | 52.2 | 0 | 0 | 0 | 0 | 113.1 | H118 L123 V183 D184 | H118-T181 HydrophobicContact CB-CG2 3.73Å; H118-T181 PolarHBondContact CE1-O 3.01Å; H118-T181 VanDerWaalsContact CG-CG2 3.46Å; H118-T181 WeakPolarHBondContact ND1-CB 3.1Å; L123-T181 HydrophobicContact CD2-CG2 3.67Å; T181-V183 PolarHBondContact O-N 3.4Å; T181-D184 PolarHBondContact O-N 2.88Å |
| 182 | A | 95.2 | Very high | 91.9 | Very high | 5 Ų | 5 | 32.9 Ų | 32.9 | 4% | 0.041 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.4 | -27.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | S180 D184 I185 W186 P270 R273 | S180-A182 PolarHBondContact O-N 3.35Å; S180-A182 VanDerWaalsContact O-N 3.15Å; S180-A182 VanDerWaalsContact OG-CB 3.27Å; S180-A182 WeakPolarHBondContact OG-CB 3.31Å; S180-A182 PolarHBondContact OG-N 3.14Å; A182-D184 VanDerWaalsContact C-N 3.31Å; A182-D184 PolarHBondContact O-N 2.96Å; A182-I185 PolarHBondContact O-N 3.13Å; A182-W186 PolarHBondContact O-N 3.36Å; A182-P270 HydrophobicContact CB-CB 3.79Å; A182-R273 HydrophobicContact CB-CB 4.38Å; A182-R273 VanDerWaalsContact O-CD 3.31Å; A182-R273 WeakPolarHBondContact O-CD 3.45Å; A182-R273 PolarHBondContact O-NH1 3.44Å |
| 183 | V | 94.4 | Very high | 92.2 | Very high | 8 Ų | 8 | 31.5 Ų | 31.5 | 5% | 0.048 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.5 | -38.9 | -179.9 | -53.7 | 0 | 0 | 0 | 0 | 111.3 | A169 E171 I172 S180 T181 W186 S187 | A169-V183 HydrophobicContact CB-CB 4.24Å; A169-V183 HydrophobicContact CB-CG1 4.27Å; E171-V183 HydrophobicContact CG-CG1 4.4Å; I172-V183 HydrophobicContact CD1-CG1 3.98Å; I172-V183 HydrophobicContact CG1-CG1 3.96Å; S180-V183 WeakPolarHBondContact O-CG2 3.41Å; S180-V183 PolarHBondContact O-N 3.28Å; T181-V183 PolarHBondContact O-N 3.4Å; V183-W186 PolarHBondContact O-N 2.99Å; V183-S187 PolarHBondContact O-N 3.03Å; V183-S187 VanDerWaalsContact O-N 3.12Å; V183-S187 PolarHBondContact O-OG 2.81Å; V183-S187 VanDerWaalsContact O-OG 3.11Å |
| 184 | D | 95.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -68.9 | -37.3 | 178.1 | -67.6 | -25.6 | 0 | 0 | 0 | 110.9 | L114 H118 H124 R125 L127 T181 A182 S187 L188 | L114-D184 HydrophobicContact CD1-CB 4.24Å; L114-D184 HydrophobicContact CD2-CB 4.16Å; H118-D184 IonicContact CD2-OD2 3.81Å; H118-D184 IonicContact CE1-OD2 3.95Å; H118-D184 IonicContact NE2-OD2 2.93Å; H118-D184 PolarHBondContact NE2-OD2 3.05Å; H124-D184 PolarHBondContact N-OD1 2.98Å; H124-D184 PolarHBondContact N-OD2 3.25Å; R125-D184 PolarHBondContact N-OD1 3.29Å; L127-D184 HydrophobicContact CD1-CB 3.75Å; L127-D184 VanDerWaalsContact CD1-O 3.3Å; L127-D184 WeakPolarHBondContact CD1-O 3.42Å; T181-D184 PolarHBondContact O-N 2.88Å; A182-D184 VanDerWaalsContact C-N 3.31Å; A182-D184 PolarHBondContact O-N 2.96Å; D184-S187 PolarHBondContact O-N 3.39Å; D184-L188 WeakPolarHBondContact O-CB 3.38Å; D184-L188 PolarHBondContact O-N 2.97Å |
| 185 | I | 98.8 | Very high | 92.5 | Very high | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.2 | -41.9 | 176.2 | -58.6 | -59.7 | 0 | 0 | 0 | 111.3 | A182 L188 G189 M265 R273 I274 A276 | A182-I185 PolarHBondContact O-N 3.13Å; I185-L188 PolarHBondContact O-N 3.32Å; I185-G189 PolarHBondContact O-N 3.23Å; I185-M265 HydrophobicContact CG2-CB 3.96Å; I185-M265 HydrophobicContact CG2-CE 4.33Å; I185-M265 HydrophobicContact CG2-CG 3.97Å; I185-R273 HydrophobicContact CB-CG 4.43Å; I185-R273 HydrophobicContact CG2-CG 4Å; I185-I274 WeakPolarHBondContact CG1-O 3.26Å; I185-I274 HydrophobicContact CG2-CG2 4.23Å; I185-I274 WeakPolarHBondContact CG2-O 3.44Å; I185-A276 HydrophobicContact CD1-CB 3.77Å |
| 186 | W | 98.6 | Very high | 93 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -59.5 | -50.5 | 175.6 | 177.5 | -83.4 | 0 | 0 | 0 | 111.1 | R168 A169 P170 A182 V183 L188 G189 C190 F202 I214 L218 L266 | R168-W186 PolarHBondContact O-NE1 3.44Å; R168-W186 VanDerWaalsContact O-NE1 3.11Å; A169-W186 VanDerWaalsContact CA-CD1 3.41Å; A169-W186 HydrophobicContact CB-CB 3.78Å; A169-W186 HydrophobicContact CB-CD2 4.31Å; A169-W186 HydrophobicContact CB-CG 3.7Å; P170-W186 HydrophobicContact CG-CE3 4.22Å; P170-W186 HydrophobicContact CG-CH2 3.85Å; P170-W186 HydrophobicContact CG-CZ2 4.25Å; P170-W186 HydrophobicContact CG-CZ3 3.84Å; A182-W186 PolarHBondContact O-N 3.36Å; V183-W186 PolarHBondContact O-N 2.99Å; W186-L188 VanDerWaalsContact C-N 3.29Å; W186-L188 PolarHBondContact O-N 3.5Å; W186-G189 WeakPolarHBondContact O-CA 3.37Å; W186-G189 PolarHBondContact O-N 3.01Å; W186-C190 PolarHBondContact O-N 3.27Å; W186-F202 HydrophobicContact CZ2-CD2 4.36Å; W186-F202 AromaticContact CZ2-CE2 3.82Å; W186-F202 HydrophobicContact CZ2-CE2 3.82Å; W186-I214 HydrophobicContact CH2-CG2 3.66Å; W186-I214 HydrophobicContact CZ2-CD1 3.8Å; W186-I214 HydrophobicContact CZ2-CG1 3.99Å; W186-I214 HydrophobicContact CZ2-CG2 3.8Å; W186-L218 HydrophobicContact CH2-CD1 3.59Å; W186-L218 HydrophobicContact CZ2-CD1 4.49Å; W186-L218 HydrophobicContact CZ3-CD1 4.15Å; W186-L266 HydrophobicContact CD2-CD2 3.97Å; W186-L266 HydrophobicContact CE3-CD2 3.99Å; W186-L266 HydrophobicContact CH2-CD2 4.44Å; W186-L266 HydrophobicContact CZ2-CD2 4.39Å; W186-L266 HydrophobicContact CZ3-CB 4.22Å; W186-L266 HydrophobicContact CZ3-CD2 4.24Å; W186-L266 WeakPolarHBondContact CZ3-O 3.4Å |
| 187 | S | 98.1 | Very high | 93.5 | Very high | 9 Ų | 9 | 31.9 Ų | 31.9 | 6% | 0.063 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -57.2 | -44.2 | 178.2 | -56.3 | 0 | 0 | 0 | 0 | 111.5 | Y167 V183 D184 G189 C190 I191 | Y167-S187 WeakPolarHBondContact O-CA 3.44Å; Y167-S187 WeakPolarHBondContact O-CB 3.38Å; Y167-S187 PolarHBondContact O-OG 2.87Å; V183-S187 PolarHBondContact O-N 3.03Å; V183-S187 VanDerWaalsContact O-N 3.12Å; V183-S187 PolarHBondContact O-OG 2.81Å; V183-S187 VanDerWaalsContact O-OG 3.11Å; D184-S187 PolarHBondContact O-N 3.39Å; S187-G189 VanDerWaalsContact C-N 3.32Å; S187-G189 PolarHBondContact O-N 3.3Å; S187-C190 WeakPolarHBondContact O-CB 3.46Å; S187-C190 PolarHBondContact O-N 2.89Å; S187-I191 VanDerWaalsContact O-CG1 3.3Å; S187-I191 WeakPolarHBondContact O-CG1 3.44Å; S187-I191 PolarHBondContact O-N 2.79Å |
| 188 | L | 98.8 | Very high | 94.4 | Very high | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.005 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -65.7 | -33.5 | 176.5 | -173.4 | 58.5 | 0 | 0 | 0 | 112.4 | L107 L110 L111 L114 D184 I185 W186 I191 F192 M265 | L107-L188 HydrophobicContact CD1-CD1 3.99Å; L107-L188 HydrophobicContact CD1-CD2 4.02Å; L107-L188 HydrophobicContact CD1-CG 3.79Å; L110-L188 HydrophobicContact CB-CD1 3.86Å; L110-L188 HydrophobicContact CB-CD2 4.06Å; L110-L188 HydrophobicContact CD1-CD1 3.58Å; L110-L188 HydrophobicContact CG-CD1 4.32Å; L111-L188 HydrophobicContact CD2-CD2 3.66Å; L111-L188 HydrophobicContact CG-CD2 3.86Å; L114-L188 HydrophobicContact CD1-CB 4.28Å; L114-L188 HydrophobicContact CD1-CD2 3.69Å; D184-L188 WeakPolarHBondContact O-CB 3.38Å; D184-L188 PolarHBondContact O-N 2.97Å; I185-L188 PolarHBondContact O-N 3.32Å; W186-L188 VanDerWaalsContact C-N 3.29Å; W186-L188 PolarHBondContact O-N 3.5Å; L188-I191 PolarHBondContact O-N 3.35Å; L188-F192 WeakPolarHBondContact O-CB 3.49Å; L188-F192 PolarHBondContact O-N 2.88Å; L188-M265 HydrophobicContact CB-CE 3.77Å; L188-M265 HydrophobicContact CD2-CE 3.94Å; L188-M265 HydrophobicContact CG-CE 3.64Å |
| 189 | G | 98.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.8 | -43 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | I185 W186 S187 F192 A193 L262 | I185-G189 PolarHBondContact O-N 3.23Å; W186-G189 WeakPolarHBondContact O-CA 3.37Å; W186-G189 PolarHBondContact O-N 3.01Å; S187-G189 VanDerWaalsContact C-N 3.32Å; S187-G189 PolarHBondContact O-N 3.3Å; G189-F192 PolarHBondContact O-N 3.25Å; G189-A193 PolarHBondContact O-N 3.07Å; G189-A193 VanDerWaalsContact O-N 3.11Å; G189-L262 WeakPolarHBondContact O-CD1 3.19Å |
| 190 | C | 98.8 | Very high | 96.4 | Very high | 1 Ų | 1 | 26.8 Ų | 26.8 | 1% | 0.007 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -60.8 | -44.7 | 172.3 | -67.7 | 0 | 0 | 0 | 0 | 111.9 | Y167 W186 S187 F192 A193 E194 | Y167-C190 HydrophobicContact CD1-CB 3.79Å; Y167-C190 HydrophobicContact CE1-CB 4.49Å; W186-C190 PolarHBondContact O-N 3.27Å; S187-C190 WeakPolarHBondContact O-CB 3.46Å; S187-C190 PolarHBondContact O-N 2.89Å; C190-F192 VanDerWaalsContact C-N 3.34Å; C190-F192 PolarHBondContact O-N 3.36Å; C190-A193 PolarHBondContact O-N 3.15Å; C190-E194 PolarHBondContact O-N 3.35Å |
| 191 | I | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -64.5 | -39.3 | 178.1 | -65.1 | 166.5 | 0 | 0 | 0 | 111 | L87 L127 P129 L132 Y167 S187 L188 E194 M195 | L87-I191 HydrophobicContact CD2-CG2 3.86Å; L127-I191 HydrophobicContact CB-CD1 4.26Å; P129-I191 HydrophobicContact CG-CG1 4.25Å; L132-I191 HydrophobicContact CD1-CD1 3.97Å; L132-I191 HydrophobicContact CD1-CG2 3.94Å; Y167-I191 HydrophobicContact CD1-CD1 4.44Å; Y167-I191 HydrophobicContact CD1-CG1 3.7Å; Y167-I191 HydrophobicContact CE1-CG1 3.75Å; S187-I191 VanDerWaalsContact O-CG1 3.3Å; S187-I191 WeakPolarHBondContact O-CG1 3.44Å; S187-I191 PolarHBondContact O-N 2.79Å; L188-I191 PolarHBondContact O-N 3.35Å; I191-E194 PolarHBondContact O-N 3.24Å; I191-M195 HydrophobicContact CG2-CE 4.34Å; I191-M195 HydrophobicContact CG2-CG 4.44Å; I191-M195 WeakPolarHBondContact O-CG 3.41Å; I191-M195 PolarHBondContact O-N 3.31Å |
| 192 | F | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -58.9 | -49.5 | 175.6 | 177 | -154.7 | 0 | 0 | 0 | 111.3 | V103 L107 L188 G189 C190 E194 M195 I196 L254 L261 L262 M265 F284 | V103-F192 HydrophobicContact CG1-CD2 3.9Å; V103-F192 HydrophobicContact CG1-CE2 3.9Å; L107-F192 HydrophobicContact CD1-CB 4.04Å; L107-F192 HydrophobicContact CD1-CG 4.24Å; L107-F192 HydrophobicContact CD2-CB 4.41Å; L107-F192 HydrophobicContact CD2-CD1 3.7Å; L107-F192 HydrophobicContact CD2-CD2 3.77Å; L107-F192 HydrophobicContact CD2-CE1 3.75Å; L107-F192 HydrophobicContact CD2-CE2 3.83Å; L107-F192 HydrophobicContact CD2-CG 3.7Å; L107-F192 HydrophobicContact CD2-CZ 3.8Å; L188-F192 WeakPolarHBondContact O-CB 3.49Å; L188-F192 PolarHBondContact O-N 2.88Å; G189-F192 PolarHBondContact O-N 3.25Å; C190-F192 VanDerWaalsContact C-N 3.34Å; C190-F192 PolarHBondContact O-N 3.36Å; F192-E194 VanDerWaalsContact C-N 3.3Å; F192-E194 PolarHBondContact O-N 2.87Å; F192-M195 PolarHBondContact O-N 3.4Å; F192-I196 HydrophobicContact CD2-CG1 4.17Å; F192-I196 HydrophobicContact CE2-CD1 4.27Å; F192-I196 HydrophobicContact CE2-CG1 3.99Å; F192-I196 WeakPolarHBondContact O-CG1 3.43Å; F192-I196 PolarHBondContact O-N 3.12Å; F192-L254 HydrophobicContact CE1-CD2 4.05Å; F192-L254 HydrophobicContact CE2-CD1 3.99Å; F192-L254 HydrophobicContact CE2-CD2 4.47Å; F192-L254 HydrophobicContact CZ-CD1 3.68Å; F192-L254 HydrophobicContact CZ-CD2 3.83Å; F192-L254 HydrophobicContact CZ-CG 4.39Å; F192-L261 HydrophobicContact CE1-CD2 4.49Å; F192-L262 HydrophobicContact CD1-CB 4.07Å; F192-L262 HydrophobicContact CD1-CD1 3.89Å; F192-L262 HydrophobicContact CE1-CB 4.01Å; F192-M265 HydrophobicContact CD1-SD 4.38Å; F192-F284 HydrophobicContact CE2-CE1 4.1Å; F192-F284 HydrophobicContact CE2-CZ 4.07Å; F192-F284 HydrophobicContact CZ-CD1 4.42Å; F192-F284 AromaticContact CZ-CE1 3.71Å; F192-F284 HydrophobicContact CZ-CE1 3.71Å; F192-F284 HydrophobicContact CZ-CE2 4.5Å; F192-F284 AromaticContact CZ-CZ 3.76Å; F192-F284 HydrophobicContact CZ-CZ 3.76Å |
| 193 | A | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -62 | -37.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | G189 C190 I196 T197 L201 V251 L262 | G189-A193 PolarHBondContact O-N 3.07Å; G189-A193 VanDerWaalsContact O-N 3.11Å; C190-A193 PolarHBondContact O-N 3.15Å; A193-I196 PolarHBondContact O-N 3.04Å; A193-T197 WeakPolarHBondContact O-CB 3.23Å; A193-T197 WeakPolarHBondContact O-CG2 3.16Å; A193-T197 PolarHBondContact O-N 3.06Å; A193-T197 PolarHBondContact O-OG1 3.38Å; A193-L201 HydrophobicContact CB-CB 4.09Å; A193-L201 HydrophobicContact CB-CD1 4.1Å; A193-L201 HydrophobicContact CB-CD2 3.78Å; A193-L201 HydrophobicContact CB-CG 4.2Å; A193-V251 HydrophobicContact CB-CG1 3.83Å; A193-L262 HydrophobicContact CB-CD1 4.31Å; A193-L262 HydrophobicContact CB-CD2 4.17Å |
| 194 | E | 98.2 | Very high | 97.4 | Very high | 4 Ų | 4 | 25.1 Ų | 25.1 | 2% | 0.019 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -66.4 | -40.8 | 177.4 | -176.4 | 168.7 | 168.4 | 0 | 0 | 112.7 | M91 Y167 C190 I191 F192 I196 T197 R198 R199 | M91-E194 HydrophobicContact CE-CG 4Å; M91-E194 WeakPolarHBondContact CE-OE1 3.19Å; M91-E194 HydrophobicContact SD-CG 3.99Å; Y167-E194 WeakPolarHBondContact CE1-OE2 3.3Å; Y167-E194 PolarHBondContact OH-OE2 3.35Å; C190-E194 PolarHBondContact O-N 3.35Å; I191-E194 PolarHBondContact O-N 3.24Å; F192-E194 VanDerWaalsContact C-N 3.3Å; F192-E194 PolarHBondContact O-N 2.87Å; E194-I196 PolarHBondContact O-N 3.29Å; E194-T197 PolarHBondContact O-N 2.83Å; E194-R198 VanDerWaalsContact O-CA 3.25Å; E194-R198 WeakPolarHBondContact O-CA 3.06Å; E194-R198 PolarHBondContact O-N 2.83Å; E194-R199 WeakPolarHBondContact CA-O 3.44Å |
| 195 | M | 98.3 | Very high | 97.3 | Very high | 2 Ų | 2 | 31.5 Ų | 31.5 | 1% | 0.01 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -59.7 | -34.1 | 174.7 | -74 | -168.8 | -71.1 | 0 | 0 | 112.3 | L87 M91 I98 V103 Y106 L107 I191 F192 | L87-M195 HydrophobicContact CD1-SD 4.3Å; L87-M195 HydrophobicContact CD2-CG 4.11Å; L87-M195 HydrophobicContact CD2-SD 3.98Å; M91-M195 HydrophobicContact SD-CG 4.01Å; I98-M195 HydrophobicContact CD1-CB 4.46Å; I98-M195 HydrophobicContact CD1-CG 4.32Å; V103-M195 HydrophobicContact CG1-CB 3.88Å; V103-M195 HydrophobicContact CG1-CE 3.96Å; V103-M195 HydrophobicContact CG1-SD 4.33Å; V103-M195 HydrophobicContact CG2-CB 3.99Å; Y106-M195 HydrophobicContact CD2-SD 4.3Å; L107-M195 HydrophobicContact CB-CE 4.44Å; I191-M195 HydrophobicContact CG2-CE 4.34Å; I191-M195 HydrophobicContact CG2-CG 4.44Å; I191-M195 WeakPolarHBondContact O-CG 3.41Å; I191-M195 PolarHBondContact O-N 3.31Å; F192-M195 PolarHBondContact O-N 3.4Å |
| 196 | I | 97.6 | Very high | 97 | Very high | 23 Ų | 23 | 33.5 Ų | 33.5 | 12% | 0.118 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -79.2 | -45.1 | 178.7 | -64 | -68.1 | 0 | 0 | 0 | 111.9 | L100 V103 F192 A193 E194 P253 L254 | L100-I196 HydrophobicContact CD1-CD1 3.67Å; V103-I196 HydrophobicContact CB-CD1 4.21Å; V103-I196 HydrophobicContact CG1-CD1 3.74Å; V103-I196 HydrophobicContact CG1-CG1 4.15Å; V103-I196 HydrophobicContact CG2-CD1 4.21Å; F192-I196 HydrophobicContact CD2-CG1 4.17Å; F192-I196 HydrophobicContact CE2-CD1 4.27Å; F192-I196 HydrophobicContact CE2-CG1 3.99Å; F192-I196 WeakPolarHBondContact O-CG1 3.43Å; F192-I196 PolarHBondContact O-N 3.12Å; A193-I196 PolarHBondContact O-N 3.04Å; E194-I196 PolarHBondContact O-N 3.29Å; I196-P253 HydrophobicContact CG2-CB 4Å; I196-P253 HydrophobicContact CG2-CG 4.07Å; I196-L254 HydrophobicContact CD1-CD1 3.91Å; I196-L254 HydrophobicContact CG1-CD1 4.16Å; I196-L254 HydrophobicContact CG2-CB 4.33Å |
| 197 | T | 95.6 | Very high | 96.7 | Very high | 35 Ų | 35 | 37.2 Ų | 37.2 | 22% | 0.215 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -94.6 | -13.2 | -169.9 | 60.1 | 0 | 0 | 0 | 0 | 113.6 | A193 E194 R199 V251 | A193-T197 WeakPolarHBondContact O-CB 3.23Å; A193-T197 WeakPolarHBondContact O-CG2 3.16Å; A193-T197 PolarHBondContact O-N 3.06Å; A193-T197 PolarHBondContact O-OG1 3.38Å; E194-T197 PolarHBondContact O-N 2.83Å; T197-R199 PolarHBondContact O-N 3.18Å; T197-R199 PolarHBondContact OG1-N 3.47Å; T197-R199 PolarHBondContact OG1-O 3.07Å; T197-V251 HydrophobicContact CG2-CB 4.28Å; T197-V251 HydrophobicContact CG2-CG1 3.79Å |
| 198 | R | 93.6 | Very high | 96.6 | Very high | 152 Ų | 152 | 40.3 Ų | 40.3 | 57% | 0.574 | 20% | 0.197 | S | C | * | . | S | Bend | trans | 62.7 | 15.3 | -172.5 | -49.5 | 179 | -71.9 | 178.6 | -5.8 | 113.6 | V95 E194 | V95-R198 PolarHBondContact O-NH1 3.36Å; E194-R198 VanDerWaalsContact O-CA 3.25Å; E194-R198 WeakPolarHBondContact O-CA 3.06Å; E194-R198 PolarHBondContact O-N 2.83Å |
| 199 | R | 94.1 | Very high | 96.5 | Very high | 200 Ų | 200 | 41.5 Ų | 41.5 | 76% | 0.755 | 20% | 0.203 | S | C | * | . | S | Bend | trans | -135.6 | 140 | -179.8 | -62.4 | -178 | -177.5 | 179.1 | 0.4 | 108.6 | E194 T197 L201 | E194-R199 WeakPolarHBondContact CA-O 3.44Å; T197-R199 PolarHBondContact O-N 3.18Å; T197-R199 PolarHBondContact OG1-N 3.47Å; T197-R199 PolarHBondContact OG1-O 3.07Å; R199-L201 PolarHBondContact O-N 3.45Å |
| 200 | A | 96.9 | Very high | 96.5 | Very high | 19 Ų | 19 | 41.5 Ų | 41.5 | 16% | 0.157 | 20% | 0.203 | C | C | . | . | trans | -55.7 | 132.7 | 173 | 0 | 0 | 0 | 0 | 0 | 109.6 | W166 P203 | W166-A200 HydrophobicContact CD2-CB 4.09Å; W166-A200 HydrophobicContact CE3-CB 3.46Å; W166-A200 VanDerWaalsContact CE3-CB 3.46Å; W166-A200 HydrophobicContact CZ3-CB 3.86Å; A200-P203 HydrophobicContact CB-CB 4.19Å; A200-P203 WeakPolarHBondContact O-CD 3.4Å | ||
| 201 | L | 98.1 | Very high | 96.5 | Very high | 26 Ų | 26 | 41.7 Ų | 41.7 | 14% | 0.136 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -65.7 | -41.3 | -175.3 | -179.6 | 61.3 | 0 | 0 | 0 | 111.7 | A193 R199 V250 L266 | A193-L201 HydrophobicContact CB-CB 4.09Å; A193-L201 HydrophobicContact CB-CD1 4.1Å; A193-L201 HydrophobicContact CB-CD2 3.78Å; A193-L201 HydrophobicContact CB-CG 4.2Å; R199-L201 PolarHBondContact O-N 3.45Å; L201-V250 HydrophobicContact CD1-CG1 3.52Å; L201-L266 HydrophobicContact CD2-CD1 3.64Å |
| 202 | F | 98.2 | Very high | 96.4 | Very high | 1 Ų | 1 | 43.8 Ų | 43.8 | 0% | 0.004 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -131.3 | 79.5 | -178.8 | -52.5 | -54.2 | 0 | 0 | 0 | 110.5 | W166 W186 G204 Q210 R213 I214 T217 L218 | W166-F202 VanDerWaalsContact CA-O 3.32Å; W166-F202 WeakPolarHBondContact CA-O 3.36Å; W166-F202 WeakPolarHBondContact CB-O 3.49Å; W186-F202 HydrophobicContact CZ2-CD2 4.36Å; W186-F202 AromaticContact CZ2-CE2 3.82Å; W186-F202 HydrophobicContact CZ2-CE2 3.82Å; F202-G204 VanDerWaalsContact C-N 3.3Å; F202-G204 PolarHBondContact O-N 3.46Å; F202-Q210 PolarHBondContact O-NE2 3.19Å; F202-Q210 PolarHBondContact O-OE1 2.61Å; F202-R213 HydrophobicContact CB-CB 4.38Å; F202-R213 HydrophobicContact CD1-CB 4.41Å; F202-I214 HydrophobicContact CB-CG1 4.27Å; F202-I214 HydrophobicContact CD1-CG1 4.11Å; F202-I214 HydrophobicContact CD2-CG1 3.76Å; F202-I214 HydrophobicContact CE1-CG1 4.4Å; F202-I214 HydrophobicContact CE2-CG1 4.06Å; F202-I214 HydrophobicContact CG-CG1 3.78Å; F202-I214 HydrophobicContact CZ-CG1 4.37Å; F202-T217 HydrophobicContact CE1-CG2 3.97Å; F202-L218 HydrophobicContact CZ-CD1 4.16Å; F202-L218 HydrophobicContact CZ-CG 4.26Å |
| 203 | P | 96.6 | Very high | 96.4 | Very high | 49 Ų | 49 | 47.6 Ų | 47.6 | 32% | 0.318 | 23% | 0.227 | S | C | . | . | trans | -83.8 | 69.5 | -176.5 | 33.1 | -34 | 0 | 0 | 0 | 111.6 | W166 A200 R213 | W166-P203 HydrophobicContact CD2-CB 4.33Å; W166-P203 HydrophobicContact CZ2-CB 4.25Å; A200-P203 HydrophobicContact CB-CB 4.19Å; A200-P203 WeakPolarHBondContact O-CD 3.4Å; P203-R213 PolarHBondContact O-NE 2.62Å | ||
| 204 | G | 95.5 | Very high | 96.4 | Very high | 4 Ų | 4 | 47.6 Ų | 47.6 | 4% | 0.041 | 23% | 0.227 | C | C | . | . | trans | -76.5 | 145.4 | 177 | 0 | 0 | 0 | 0 | 0 | 113.5 | W166 F202 D209 Q210 | W166-G204 PolarHBondContact NE1-O 2.7Å; F202-G204 VanDerWaalsContact C-N 3.3Å; F202-G204 PolarHBondContact O-N 3.46Å; G204-D209 VanDerWaalsContact CA-OD2 3.31Å; G204-D209 WeakPolarHBondContact CA-OD2 3.29Å; G204-Q210 VanDerWaalsContact CA-OE1 3.23Å | ||
| 205 | D | 92.1 | Very high | 96.4 | Very high | 134 Ų | 134 | 47.4 Ų | 47.4 | 72% | 0.717 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -100.2 | -12.1 | 176.5 | 62.4 | 13.3 | 0 | 0 | 0 | 114.1 | D209 | D205-D209 PolarHBondContact N-OD2 3.33Å; D205-D209 VanDerWaalsContact OD1-CB 3.24Å; D205-D209 WeakPolarHBondContact OD1-CB 3.49Å |
| 206 | S | 93.1 | Very high | 96.4 | Very high | 44 Ų | 44 | 52.7 Ų | 52.7 | 31% | 0.308 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -147.3 | 164.3 | 177.8 | 58.5 | 0 | 0 | 0 | 0 | 109.5 | I208 D209 Q210 | S206-I208 VanDerWaalsContact C-N 3.26Å; S206-I208 PolarHBondContact O-N 3.48Å; S206-D209 PolarHBondContact O-N 3.11Å; S206-D209 VanDerWaalsContact OG-CB 3.24Å; S206-D209 WeakPolarHBondContact OG-CB 3.48Å; S206-D209 PolarHBondContact OG-N 2.9Å; S206-Q210 VanDerWaalsContact O-CB 3.26Å; S206-Q210 WeakPolarHBondContact O-CB 3.16Å; S206-Q210 PolarHBondContact O-N 2.87Å |
| 207 | E | 93.1 | Very high | 96.5 | Very high | 77 Ų | 77 | 52.5 Ų | 52.5 | 36% | 0.36 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61.2 | -37.5 | -178.8 | -63.2 | -169.2 | 152.7 | 0 | 0 | 112.2 | L165 R168 L173 L211 | L165-E207 HydrophobicContact CD1-CG 4.24Å; L165-E207 HydrophobicContact CD2-CG 4.39Å; R168-E207 IonicContact NH1-OE1 3.5Å; R168-E207 PolarHBondContact NH1-OE1 2.67Å; L173-E207 HydrophobicContact CD2-CB 4.03Å; L173-E207 HydrophobicContact CD2-CG 4.2Å; E207-L211 PolarHBondContact O-N 3.26Å |
| 208 | I | 95.6 | Very high | 96.6 | Very high | 75 Ų | 75 | 51 Ų | 51 | 39% | 0.385 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -72 | -41.6 | 177.2 | -167.9 | 61.1 | 0 | 0 | 0 | 112.3 | S206 Q210 L211 F212 F239 | S206-I208 VanDerWaalsContact C-N 3.26Å; S206-I208 PolarHBondContact O-N 3.48Å; I208-Q210 VanDerWaalsContact C-N 3.31Å; I208-Q210 PolarHBondContact O-N 2.89Å; I208-L211 PolarHBondContact O-N 2.83Å; I208-F212 HydrophobicContact CD1-CD1 4.15Å; I208-F212 HydrophobicContact CD1-CE1 3.53Å; I208-F212 HydrophobicContact CD1-CE2 4.25Å; I208-F212 HydrophobicContact CD1-CZ 3.6Å; I208-F212 HydrophobicContact CG1-CD1 4.48Å; I208-F212 HydrophobicContact CG1-CD2 4.31Å; I208-F212 HydrophobicContact CG1-CE1 4.03Å; I208-F212 HydrophobicContact CG1-CE2 3.84Å; I208-F212 HydrophobicContact CG1-CZ 3.69Å; I208-F212 WeakPolarHBondContact O-CG 3.39Å; I208-F212 PolarHBondContact O-N 3.48Å; I208-F239 HydrophobicContact CD1-CD1 4.41Å; I208-F239 HydrophobicContact CD1-CE1 3.68Å; I208-F239 HydrophobicContact CD1-CZ 4.18Å |
| 209 | D | 96.9 | Very high | 96.8 | Very high | 25 Ų | 25 | 44.1 Ų | 44.1 | 13% | 0.134 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.4 | -39.6 | 175 | -175.9 | 51.8 | 0 | 0 | 0 | 110.9 | G204 D205 S206 L211 F212 R213 | G204-D209 VanDerWaalsContact CA-OD2 3.31Å; G204-D209 WeakPolarHBondContact CA-OD2 3.29Å; D205-D209 PolarHBondContact N-OD2 3.33Å; D205-D209 VanDerWaalsContact OD1-CB 3.24Å; D205-D209 WeakPolarHBondContact OD1-CB 3.49Å; S206-D209 PolarHBondContact O-N 3.11Å; S206-D209 VanDerWaalsContact OG-CB 3.24Å; S206-D209 WeakPolarHBondContact OG-CB 3.48Å; S206-D209 PolarHBondContact OG-N 2.9Å; D209-L211 PolarHBondContact O-N 3.05Å; D209-F212 PolarHBondContact O-N 3.39Å; D209-R213 WeakPolarHBondContact O-CG 3.48Å; D209-R213 PolarHBondContact O-N 2.93Å; D209-R213 IonicContact OD1-CZ 3.99Å; D209-R213 IonicContact OD1-NE 2.83Å; D209-R213 IonicContact OD1-NH2 3.75Å; D209-R213 IonicContact OD2-CZ 3.34Å; D209-R213 IonicContact OD2-NE 3.47Å; D209-R213 PolarHBondContact OD2-NE 3.27Å; D209-R213 IonicContact OD2-NH2 3.04Å; D209-R213 PolarHBondContact OD2-NH2 3.09Å |
| 210 | Q | 97.9 | Very high | 97 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -57.3 | -49.5 | 173.7 | -174.2 | 65.7 | 38.4 | 0 | 0 | 111.3 | L165 L173 F202 G204 S206 I208 R213 I214 | L165-Q210 HydrophobicContact CB-CB 4.35Å; L165-Q210 HydrophobicContact CB-CG 4.11Å; L173-Q210 HydrophobicContact CD1-CB 4.21Å; L173-Q210 HydrophobicContact CD1-CG 3.54Å; L173-Q210 HydrophobicContact CD2-CB 4.32Å; L173-Q210 HydrophobicContact CD2-CG 4.17Å; F202-Q210 PolarHBondContact O-NE2 3.19Å; F202-Q210 PolarHBondContact O-OE1 2.61Å; G204-Q210 VanDerWaalsContact CA-OE1 3.23Å; S206-Q210 VanDerWaalsContact O-CB 3.26Å; S206-Q210 WeakPolarHBondContact O-CB 3.16Å; S206-Q210 PolarHBondContact O-N 2.87Å; I208-Q210 VanDerWaalsContact C-N 3.31Å; I208-Q210 PolarHBondContact O-N 2.89Å; Q210-R213 PolarHBondContact O-N 2.65Å; Q210-I214 HydrophobicContact CG-CD1 4.39Å; Q210-I214 VanDerWaalsContact O-CG1 3.3Å; Q210-I214 WeakPolarHBondContact O-CG1 3.37Å; Q210-I214 PolarHBondContact O-N 3.08Å; Q210-I214 VanDerWaalsContact O-N 3.16Å |
| 211 | L | 98.1 | Very high | 97.1 | Very high | 6 Ų | 6 | 34.6 Ų | 34.6 | 3% | 0.031 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -59.2 | -46.6 | 174.8 | -80.7 | 171.4 | 0 | 0 | 0 | 112 | P170 L173 L174 E207 I208 D209 R213 I214 F215 | P170-L211 HydrophobicContact CB-CD2 4.43Å; L173-L211 HydrophobicContact CB-CD1 4.07Å; L173-L211 HydrophobicContact CB-CD2 3.61Å; L173-L211 HydrophobicContact CB-CG 3.71Å; L173-L211 HydrophobicContact CD1-CD2 4.01Å; L173-L211 HydrophobicContact CD1-CG 4.11Å; L173-L211 HydrophobicContact CG-CD2 4.45Å; L173-L211 HydrophobicContact CG-CG 4.44Å; L174-L211 HydrophobicContact CD2-CD1 3.89Å; L174-L211 HydrophobicContact CD2-CD2 4.26Å; L174-L211 HydrophobicContact CG-CD1 4.4Å; L174-L211 HydrophobicContact CG-CD2 4.07Å; E207-L211 PolarHBondContact O-N 3.26Å; I208-L211 PolarHBondContact O-N 2.83Å; D209-L211 PolarHBondContact O-N 3.05Å; L211-R213 VanDerWaalsContact C-N 3.31Å; L211-R213 PolarHBondContact O-N 2.89Å; L211-I214 WeakPolarHBondContact O-CB 3.15Å; L211-I214 PolarHBondContact O-N 2.9Å; L211-I214 VanDerWaalsContact O-N 3.15Å; L211-F215 HydrophobicContact CB-CE2 4.35Å; L211-F215 HydrophobicContact CB-CZ 4.19Å; L211-F215 HydrophobicContact CD2-CE1 3.93Å; L211-F215 HydrophobicContact CD2-CZ 3.85Å; L211-F215 HydrophobicContact CG-CZ 4.49Å; L211-F215 VanDerWaalsContact O-CD1 3.26Å; L211-F215 WeakPolarHBondContact O-CD1 3.47Å; L211-F215 WeakPolarHBondContact O-CG 3.14Å; L211-F215 PolarHBondContact O-N 3.31Å |
| 212 | F | 98.4 | Very high | 97 | Very high | 44 Ų | 44 | 36.8 Ų | 36.8 | 19% | 0.193 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.8 | -34 | -178.4 | -71.7 | -5.2 | 0 | 0 | 0 | 112.7 | I208 D209 F215 R216 F239 P240 W242 | I208-F212 HydrophobicContact CD1-CD1 4.15Å; I208-F212 HydrophobicContact CD1-CE1 3.53Å; I208-F212 HydrophobicContact CD1-CE2 4.25Å; I208-F212 HydrophobicContact CD1-CZ 3.6Å; I208-F212 HydrophobicContact CG1-CD1 4.48Å; I208-F212 HydrophobicContact CG1-CD2 4.31Å; I208-F212 HydrophobicContact CG1-CE1 4.03Å; I208-F212 HydrophobicContact CG1-CE2 3.84Å; I208-F212 HydrophobicContact CG1-CZ 3.69Å; I208-F212 WeakPolarHBondContact O-CG 3.39Å; I208-F212 PolarHBondContact O-N 3.48Å; D209-F212 PolarHBondContact O-N 3.39Å; F212-F215 HydrophobicContact CD1-CD2 4.19Å; F212-F215 PolarHBondContact O-N 3.28Å; F212-R216 WeakPolarHBondContact O-CB 3.28Å; F212-R216 WeakPolarHBondContact O-CG 3.03Å; F212-R216 PolarHBondContact O-N 2.91Å; F212-F239 AromaticContact CE1-CD1 3.82Å; F212-F239 HydrophobicContact CE1-CD1 3.82Å; F212-F239 HydrophobicContact CE1-CE1 4.28Å; F212-F239 HydrophobicContact CE1-CG 4.33Å; F212-F239 HydrophobicContact CZ-CD1 4.23Å; F212-P240 HydrophobicContact CZ-CG 4.46Å; F212-W242 HydrophobicContact CB-CH2 3.91Å; F212-W242 HydrophobicContact CB-CZ3 4.25Å; F212-W242 AromaticContact CD1-CH2 3.81Å; F212-W242 HydrophobicContact CD1-CH2 3.81Å; F212-W242 AromaticContact CD1-CZ3 3.75Å; F212-W242 HydrophobicContact CD1-CZ3 3.75Å; F212-W242 HydrophobicContact CD2-CH2 4.02Å; F212-W242 HydrophobicContact CE1-CH2 4.29Å; F212-W242 HydrophobicContact CE1-CZ3 4.26Å; F212-W242 HydrophobicContact CE2-CH2 4.48Å; F212-W242 AromaticContact CG-CH2 3.65Å; F212-W242 HydrophobicContact CG-CH2 3.65Å; F212-W242 HydrophobicContact CG-CZ3 4.02Å |
| 213 | R | 98.4 | Very high | 96.9 | Very high | 79 Ų | 79 | 40.6 Ų | 40.6 | 30% | 0.298 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -66.3 | -40.5 | 172.7 | -72 | 174.1 | -171.5 | -88.4 | 1.2 | 112.5 | F202 P203 D209 Q210 L211 T217 | F202-R213 HydrophobicContact CB-CB 4.38Å; F202-R213 HydrophobicContact CD1-CB 4.41Å; P203-R213 PolarHBondContact O-NE 2.62Å; D209-R213 WeakPolarHBondContact O-CG 3.48Å; D209-R213 PolarHBondContact O-N 2.93Å; D209-R213 IonicContact OD1-CZ 3.99Å; D209-R213 IonicContact OD1-NE 2.83Å; D209-R213 IonicContact OD1-NH2 3.75Å; D209-R213 IonicContact OD2-CZ 3.34Å; D209-R213 IonicContact OD2-NE 3.47Å; D209-R213 PolarHBondContact OD2-NE 3.27Å; D209-R213 IonicContact OD2-NH2 3.04Å; D209-R213 PolarHBondContact OD2-NH2 3.09Å; Q210-R213 PolarHBondContact O-N 2.65Å; L211-R213 VanDerWaalsContact C-N 3.31Å; L211-R213 PolarHBondContact O-N 2.89Å; R213-T217 PolarHBondContact O-N 3.35Å; R213-T217 PolarHBondContact O-OG1 3.41Å |
| 214 | I | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.4 | -50.8 | 173.5 | -64.7 | 165.9 | 0 | 0 | 0 | 109.2 | L173 W186 F202 Q210 L211 R216 T217 L218 Y268 | L173-I214 HydrophobicContact CD1-CD1 3.78Å; W186-I214 HydrophobicContact CH2-CG2 3.66Å; W186-I214 HydrophobicContact CZ2-CD1 3.8Å; W186-I214 HydrophobicContact CZ2-CG1 3.99Å; W186-I214 HydrophobicContact CZ2-CG2 3.8Å; F202-I214 HydrophobicContact CB-CG1 4.27Å; F202-I214 HydrophobicContact CD1-CG1 4.11Å; F202-I214 HydrophobicContact CD2-CG1 3.76Å; F202-I214 HydrophobicContact CE1-CG1 4.4Å; F202-I214 HydrophobicContact CE2-CG1 4.06Å; F202-I214 HydrophobicContact CG-CG1 3.78Å; F202-I214 HydrophobicContact CZ-CG1 4.37Å; Q210-I214 HydrophobicContact CG-CD1 4.39Å; Q210-I214 VanDerWaalsContact O-CG1 3.3Å; Q210-I214 WeakPolarHBondContact O-CG1 3.37Å; Q210-I214 PolarHBondContact O-N 3.08Å; Q210-I214 VanDerWaalsContact O-N 3.16Å; L211-I214 WeakPolarHBondContact O-CB 3.15Å; L211-I214 PolarHBondContact O-N 2.9Å; L211-I214 VanDerWaalsContact O-N 3.15Å; I214-R216 PolarHBondContact O-N 2.96Å; I214-T217 PolarHBondContact O-N 3.32Å; I214-T217 VanDerWaalsContact O-N 3.09Å; I214-L218 HydrophobicContact CG2-CD1 4.05Å; I214-L218 PolarHBondContact O-N 2.66Å; I214-Y268 HydrophobicContact CG2-CE1 3.79Å |
| 215 | F | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.4 | -41 | -177.1 | -60.9 | -7.4 | 0 | 0 | 0 | 112.7 | L211 F212 T217 G219 T220 P221 F239 W242 Y268 | L211-F215 HydrophobicContact CB-CE2 4.35Å; L211-F215 HydrophobicContact CB-CZ 4.19Å; L211-F215 HydrophobicContact CD2-CE1 3.93Å; L211-F215 HydrophobicContact CD2-CZ 3.85Å; L211-F215 HydrophobicContact CG-CZ 4.49Å; L211-F215 VanDerWaalsContact O-CD1 3.26Å; L211-F215 WeakPolarHBondContact O-CD1 3.47Å; L211-F215 WeakPolarHBondContact O-CG 3.14Å; L211-F215 PolarHBondContact O-N 3.31Å; F212-F215 HydrophobicContact CD1-CD2 4.19Å; F212-F215 PolarHBondContact O-N 3.28Å; F215-T217 PolarHBondContact O-N 2.79Å; F215-G219 CarbonylContact O-C 3.19Å; F215-G219 WeakPolarHBondContact O-CA 3.49Å; F215-G219 PolarHBondContact O-N 3.46Å; F215-T220 HydrophobicContact CD2-CG2 4.04Å; F215-T220 HydrophobicContact CE2-CG2 4.34Å; F215-T220 HydrophobicContact CG-CG2 4.46Å; F215-P221 HydrophobicContact CD1-CG 4.38Å; F215-P221 VanDerWaalsContact CE1-CD 3.41Å; F215-P221 HydrophobicContact CE1-CG 3.81Å; F215-P221 HydrophobicContact CZ-CG 4.13Å; F215-F239 HydrophobicContact CE2-CB 4.49Å; F215-F239 AromaticContact CE2-CD2 3.91Å; F215-F239 HydrophobicContact CE2-CD2 3.91Å; F215-F239 HydrophobicContact CE2-CE2 4.39Å; F215-F239 HydrophobicContact CE2-CG 4.34Å; F215-W242 HydrophobicContact CB-CD2 4.47Å; F215-W242 HydrophobicContact CB-CE3 3.54Å; F215-W242 HydrophobicContact CB-CZ3 3.98Å; F215-W242 HydrophobicContact CD2-CE3 4.3Å; F215-W242 HydrophobicContact CD2-CZ3 4.08Å; F215-W242 HydrophobicContact CG-CE3 4.46Å; F215-W242 WeakPolarHBondContact O-CB 3.42Å; F215-Y268 HydrophobicContact CD1-CE1 4.26Å; F215-Y268 WeakPolarHBondContact CD1-OH 3.24Å; F215-Y268 HydrophobicContact CE1-CE1 4.23Å |
| 216 | R | 98.3 | Very high | 97 | Very high | 113 Ų | 113 | 40.1 Ų | 40.1 | 43% | 0.426 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -58.4 | -28.3 | 175 | -79.7 | 173.6 | -173.8 | 173.8 | 4.2 | 113.1 | F212 I214 W242 Q245 | F212-R216 WeakPolarHBondContact O-CB 3.28Å; F212-R216 WeakPolarHBondContact O-CG 3.03Å; F212-R216 PolarHBondContact O-N 2.91Å; I214-R216 PolarHBondContact O-N 2.96Å; R216-W242 HydrophobicContact CB-CG 4.49Å; R216-W242 HydrophobicContact CG-CD2 3.75Å; R216-W242 HydrophobicContact CG-CE3 4.48Å; R216-W242 HydrophobicContact CG-CG 3.87Å; R216-W242 HydrophobicContact CG-CZ2 4.04Å; R216-Q245 PolarHBondContact O-NE2 3.04Å |
| 217 | T | 98 | Very high | 97.2 | Very high | 19 Ų | 19 | 41.3 Ų | 41.3 | 12% | 0.117 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -94.7 | -48.5 | -177 | -52.2 | 0 | 0 | 0 | 0 | 111.3 | F202 R213 I214 F215 Q245 V250 | F202-T217 HydrophobicContact CE1-CG2 3.97Å; R213-T217 PolarHBondContact O-N 3.35Å; R213-T217 PolarHBondContact O-OG1 3.41Å; I214-T217 PolarHBondContact O-N 3.32Å; I214-T217 VanDerWaalsContact O-N 3.09Å; F215-T217 PolarHBondContact O-N 2.79Å; T217-Q245 WeakPolarHBondContact O-CB 3.45Å; T217-Q245 PolarHBondContact O-N 3.23Å; T217-V250 HydrophobicContact CG2-CB 4.47Å; T217-V250 HydrophobicContact CG2-CG1 3.85Å; T217-V250 HydrophobicContact CG2-CG2 3.72Å |
| 218 | L | 98.2 | Very high | 97.3 | Very high | 5 Ų | 5 | 39.2 Ų | 39.2 | 3% | 0.026 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -98.4 | -1.8 | -171.6 | -57.3 | -177.1 | 0 | 0 | 0 | 113.8 | W186 F202 I214 R244 L266 Y268 | W186-L218 HydrophobicContact CH2-CD1 3.59Å; W186-L218 HydrophobicContact CZ2-CD1 4.49Å; W186-L218 HydrophobicContact CZ3-CD1 4.15Å; F202-L218 HydrophobicContact CZ-CD1 4.16Å; F202-L218 HydrophobicContact CZ-CG 4.26Å; I214-L218 HydrophobicContact CG2-CD1 4.05Å; I214-L218 PolarHBondContact O-N 2.66Å; L218-R244 WeakPolarHBondContact O-CG 3.34Å; L218-R244 PolarHBondContact O-NH1 3.01Å; L218-R244 VanDerWaalsContact O-NH1 3.1Å; L218-L266 HydrophobicContact CD1-CB 4.08Å; L218-Y268 HydrophobicContact CB-CE2 3.8Å |
| 219 | G | 98.3 | Very high | 97.4 | Very high | 7 Ų | 7 | 35.7 Ų | 35.7 | 7% | 0.072 | 20% | 0.197 | C | C | . | . | trans | 85.2 | 150.4 | -170.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | F215 W242 Y268 | F215-G219 CarbonylContact O-C 3.19Å; F215-G219 WeakPolarHBondContact O-CA 3.49Å; F215-G219 PolarHBondContact O-N 3.46Å; G219-W242 VanDerWaalsContact CA-O 3.26Å; G219-W242 WeakPolarHBondContact CA-O 3.3Å; G219-Y268 VanDerWaalsContact O-CE2 3.24Å; G219-Y268 WeakPolarHBondContact O-CE2 3.35Å; G219-Y268 VanDerWaalsContact O-CZ 3.26Å; G219-Y268 PolarHBondContact O-OH 3.15Å | ||
| 220 | T | 98.5 | Very high | 97.4 | Very high | 18 Ų | 18 | 37.8 Ų | 37.8 | 11% | 0.11 | 21% | 0.211 | C | C | . | . | trans | -67.4 | 126.4 | 173.7 | -54.4 | 0 | 0 | 0 | 0 | 109.2 | F215 P240 K241 W242 | F215-T220 HydrophobicContact CD2-CG2 4.04Å; F215-T220 HydrophobicContact CE2-CG2 4.34Å; F215-T220 HydrophobicContact CG-CG2 4.46Å; T220-P240 WeakPolarHBondContact CG2-O 3.4Å; T220-P240 PolarHBondContact OG1-O 3.25Å; T220-K241 HydrophobicContact CG2-CD 4.04Å; T220-K241 WeakPolarHBondContact OG1-CA 3.43Å; T220-W242 PolarHBondContact N-O 2.95Å; T220-W242 PolarHBondContact OG1-N 2.76Å | ||
| 221 | P | 97.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 25% | 0.245 | C | C | . | . | trans | -66.8 | 147.3 | -178.4 | 28.7 | -34.8 | 0 | 0 | 0 | 111.2 | F215 W226 V229 Y268 | F215-P221 HydrophobicContact CD1-CG 4.38Å; F215-P221 VanDerWaalsContact CE1-CD 3.41Å; F215-P221 HydrophobicContact CE1-CG 3.81Å; F215-P221 HydrophobicContact CZ-CG 4.13Å; P221-W226 HydrophobicContact CB-CB 4.36Å; P221-W226 HydrophobicContact CB-CE3 4.12Å; P221-W226 HydrophobicContact CG-CE3 4.4Å; P221-V229 HydrophobicContact CB-CG1 4.45Å; P221-V229 HydrophobicContact CB-CG2 4.15Å; P221-V229 HydrophobicContact CG-CG2 4.01Å; P221-Y268 HydrophobicContact CB-CD1 4.15Å; P221-Y268 HydrophobicContact CB-CD2 4.02Å; P221-Y268 HydrophobicContact CB-CE1 4.3Å; P221-Y268 HydrophobicContact CB-CE2 4.14Å; P221-Y268 HydrophobicContact CB-CG 4.02Å; P221-Y268 HydrophobicContact CG-CD1 4.29Å; P221-Y268 HydrophobicContact CG-CE1 4.1Å | ||
| 222 | D | 96.6 | Very high | 97.1 | Very high | 73 Ų | 73 | 43.8 Ų | 43.8 | 39% | 0.39 | 25% | 0.25 | S | C | . | . | trans | -135.8 | -177.9 | 174.4 | 62.5 | 13 | 0 | 0 | 0 | 109.9 | V224 A225 W226 | D222-V224 PolarHBondContact O-N 3.26Å; D222-V224 VanDerWaalsContact O-N 3.14Å; D222-V224 WeakPolarHBondContact OD1-CA 3.37Å; D222-V224 WeakPolarHBondContact OD1-CB 3.42Å; D222-V224 PolarHBondContact OD1-N 3.18Å; D222-A225 PolarHBondContact O-N 3.09Å; D222-A225 PolarHBondContact OD1-N 3.11Å; D222-W226 CarbonylContact O-C 3.37Å; D222-W226 WeakPolarHBondContact O-CA 3.33Å; D222-W226 PolarHBondContact O-N 2.98Å; D222-W226 VanDerWaalsContact O-O 3.13Å | ||
| 223 | E | 96.9 | Very high | 97 | Very high | 81 Ų | 81 | 45.5 Ų | 45.5 | 38% | 0.379 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -14.9 | 179.9 | -69 | -61.6 | 142.5 | 0 | 0 | 113.8 | P227 G228 V229 T230 | E223-P227 WeakPolarHBondContact O-CG 3.46Å; E223-P227 WeakPolarHBondContact OE2-CA 3.27Å; E223-G228 PolarHBondContact OE1-N 2.96Å; E223-G228 PolarHBondContact OE2-N 3.11Å; E223-V229 PolarHBondContact OE1-N 3.31Å; E223-T230 HydrophobicContact CG-CG2 3.96Å; E223-T230 VanDerWaalsContact OE1-CB 3.25Å; E223-T230 WeakPolarHBondContact OE1-CB 3.37Å; E223-T230 WeakPolarHBondContact OE1-CG2 3.39Å; E223-T230 PolarHBondContact OE1-N 3.21Å; E223-T230 PolarHBondContact OE1-OG1 3.5Å |
| 224 | V | 95.2 | Very high | 96.8 | Very high | 121 Ų | 121 | 45.7 Ų | 45.7 | 73% | 0.733 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | -52 | 176.2 | -179.4 | 0 | 0 | 0 | 0 | 109.9 | D222 | D222-V224 PolarHBondContact O-N 3.26Å; D222-V224 VanDerWaalsContact O-N 3.14Å; D222-V224 WeakPolarHBondContact OD1-CA 3.37Å; D222-V224 WeakPolarHBondContact OD1-CB 3.42Å; D222-V224 PolarHBondContact OD1-N 3.18Å |
| 225 | A | 94.2 | Very high | 96.8 | Very high | 47 Ų | 47 | 46.6 Ų | 46.6 | 39% | 0.388 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -33.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | D222 | D222-A225 PolarHBondContact O-N 3.09Å; D222-A225 PolarHBondContact OD1-N 3.11Å |
| 226 | W | 97.3 | Very high | 96.7 | Very high | 8 Ų | 8 | 51.2 Ų | 51.2 | 3% | 0.03 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -147.7 | 88.7 | -177.7 | -170.9 | -4.6 | 0 | 0 | 0 | 111.7 | P170 E171 L174 P221 D222 G228 V229 M232 Y268 D269 P270 | P170-W226 HydrophobicContact CB-CH2 4.29Å; P170-W226 HydrophobicContact CB-CZ3 4.01Å; P170-W226 HydrophobicContact CG-CH2 4.18Å; P170-W226 HydrophobicContact CG-CZ3 4.05Å; E171-W226 HydrophobicContact CB-CH2 3.73Å; E171-W226 HydrophobicContact CB-CZ2 3.84Å; L174-W226 HydrophobicContact CD1-CH2 4.23Å; L174-W226 HydrophobicContact CD1-CZ3 3.85Å; P221-W226 HydrophobicContact CB-CB 4.36Å; P221-W226 HydrophobicContact CB-CE3 4.12Å; P221-W226 HydrophobicContact CG-CE3 4.4Å; D222-W226 CarbonylContact O-C 3.37Å; D222-W226 WeakPolarHBondContact O-CA 3.33Å; D222-W226 PolarHBondContact O-N 2.98Å; D222-W226 VanDerWaalsContact O-O 3.13Å; W226-G228 PolarHBondContact O-N 3.36Å; W226-V229 HydrophobicContact CB-CB 3.97Å; W226-V229 HydrophobicContact CB-CG1 4.32Å; W226-V229 HydrophobicContact CD2-CB 3.91Å; W226-V229 HydrophobicContact CD2-CG2 3.92Å; W226-V229 HydrophobicContact CE3-CB 4.08Å; W226-V229 HydrophobicContact CE3-CG2 3.58Å; W226-V229 HydrophobicContact CG-CB 3.84Å; W226-V229 HydrophobicContact CG-CG2 4.35Å; W226-V229 HydrophobicContact CZ3-CG2 4.14Å; W226-V229 WeakPolarHBondContact O-CB 3.4Å; W226-V229 VanDerWaalsContact O-CG1 3.3Å; W226-V229 WeakPolarHBondContact O-CG1 3.45Å; W226-V229 PolarHBondContact O-N 2.73Å; W226-V229 VanDerWaalsContact O-N 3.07Å; W226-M232 HydrophobicContact CH2-CE 3.63Å; W226-M232 HydrophobicContact CH2-SD 3.92Å; W226-M232 HydrophobicContact CZ2-CE 3.05Å; W226-M232 HydrophobicContact CZ2-SD 3.96Å; W226-M232 HydrophobicContact CZ3-SD 4.48Å; W226-Y268 AromaticContact CE3-CD1 3.91Å; W226-Y268 HydrophobicContact CE3-CD1 3.91Å; W226-Y268 HydrophobicContact CE3-CG 4.12Å; W226-Y268 AromaticContact CZ3-CD1 3.97Å; W226-Y268 HydrophobicContact CZ3-CD1 3.97Å; W226-D269 HydrophobicContact CG-CB 4.29Å; W226-P270 HydrophobicContact CZ2-CG 3.93Å |
| 227 | P | 96.9 | Very high | 96.6 | Very high | 69 Ų | 69 | 51 Ų | 51 | 45% | 0.448 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | 126 | 174.5 | -24.4 | 33.7 | 0 | 0 | 0 | 111.7 | E223 | E223-P227 WeakPolarHBondContact O-CG 3.46Å; E223-P227 WeakPolarHBondContact OE2-CA 3.27Å |
| 228 | G | 95.6 | Very high | 96.5 | Very high | 34 Ų | 34 | 55 Ų | 55 | 35% | 0.351 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.7 | -2.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | E223 W226 T230 S231 | E223-G228 PolarHBondContact OE1-N 2.96Å; E223-G228 PolarHBondContact OE2-N 3.11Å; W226-G228 PolarHBondContact O-N 3.36Å; G228-T230 PolarHBondContact O-N 2.97Å; G228-S231 PolarHBondContact O-N 2.85Å |
| 229 | V | 96.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | -59.8 | -33.4 | -179.7 | 71.3 | 0 | 0 | 0 | 0 | 112.3 | L174 P221 E223 W226 S231 M232 Y235 | L174-V229 HydrophobicContact CD1-CG2 4.03Å; P221-V229 HydrophobicContact CB-CG1 4.45Å; P221-V229 HydrophobicContact CB-CG2 4.15Å; P221-V229 HydrophobicContact CG-CG2 4.01Å; E223-V229 PolarHBondContact OE1-N 3.31Å; W226-V229 HydrophobicContact CB-CB 3.97Å; W226-V229 HydrophobicContact CB-CG1 4.32Å; W226-V229 HydrophobicContact CD2-CB 3.91Å; W226-V229 HydrophobicContact CD2-CG2 3.92Å; W226-V229 HydrophobicContact CE3-CB 4.08Å; W226-V229 HydrophobicContact CE3-CG2 3.58Å; W226-V229 HydrophobicContact CG-CB 3.84Å; W226-V229 HydrophobicContact CG-CG2 4.35Å; W226-V229 HydrophobicContact CZ3-CG2 4.14Å; W226-V229 WeakPolarHBondContact O-CB 3.4Å; W226-V229 VanDerWaalsContact O-CG1 3.3Å; W226-V229 WeakPolarHBondContact O-CG1 3.45Å; W226-V229 PolarHBondContact O-N 2.73Å; W226-V229 VanDerWaalsContact O-N 3.07Å; V229-S231 PolarHBondContact O-N 3.36Å; V229-M232 WeakPolarHBondContact O-CB 3.18Å; V229-M232 PolarHBondContact O-N 3.43Å; V229-Y235 HydrophobicContact CG2-CD2 4Å; V229-Y235 HydrophobicContact CG2-CE2 4.29Å; V229-Y235 WeakPolarHBondContact O-CB 3.42Å |
| 230 | T | 96.8 | Very high | 96.5 | Very high | 70 Ų | 70 | 58 Ų | 58 | 43% | 0.429 | 36% | 0.355 | S | S | . | . | G | 310 helix | trans | -68.5 | -16.8 | 179.1 | 61.4 | 0 | 0 | 0 | 0 | 113.8 | E223 G228 Y235 | E223-T230 HydrophobicContact CG-CG2 3.96Å; E223-T230 VanDerWaalsContact OE1-CB 3.25Å; E223-T230 WeakPolarHBondContact OE1-CB 3.37Å; E223-T230 WeakPolarHBondContact OE1-CG2 3.39Å; E223-T230 PolarHBondContact OE1-N 3.21Å; E223-T230 PolarHBondContact OE1-OG1 3.5Å; G228-T230 PolarHBondContact O-N 2.97Å; T230-Y235 HydrophobicContact CG2-CE1 3.92Å |
| 231 | S | 95.6 | Very high | 96.5 | Very high | 102 Ų | 102 | 63.3 Ų | 63.3 | 71% | 0.713 | 38% | 0.376 | S | S | * | . | G | 310 helix | trans | -95.2 | 2.2 | 178.1 | -57.8 | 0 | 0 | 0 | 0 | 113.2 | G228 V229 | G228-S231 PolarHBondContact O-N 2.85Å; V229-S231 PolarHBondContact O-N 3.36Å |
| 232 | M | 95.1 | Very high | 96.5 | Very high | 29 Ų | 29 | 66.6 Ų | 66.6 | 14% | 0.143 | 39% | 0.389 | C | S | . | . | S | Bend | trans | -70.3 | 144.2 | 179.3 | -68.9 | -160.2 | 163.5 | 0 | 0 | 111.8 | E171 L174 W226 V229 D234 Y235 | E171-M232 HydrophobicContact CB-CE 4.38Å; L174-M232 HydrophobicContact CB-CB 4.05Å; L174-M232 HydrophobicContact CB-CG 4.44Å; L174-M232 HydrophobicContact CB-SD 3.49Å; L174-M232 WeakPolarHBondContact CB-SD 3.47Å; L174-M232 HydrophobicContact CD1-SD 3.63Å; L174-M232 HydrophobicContact CG-SD 4.21Å; W226-M232 HydrophobicContact CH2-CE 3.63Å; W226-M232 HydrophobicContact CH2-SD 3.92Å; W226-M232 HydrophobicContact CZ2-CE 3.05Å; W226-M232 HydrophobicContact CZ2-SD 3.96Å; W226-M232 HydrophobicContact CZ3-SD 4.48Å; V229-M232 WeakPolarHBondContact O-CB 3.18Å; V229-M232 PolarHBondContact O-N 3.43Å; M232-D234 VanDerWaalsContact C-N 3.28Å; M232-D234 PolarHBondContact O-N 3.02Å; M232-D234 VanDerWaalsContact O-N 3.16Å; M232-Y235 PolarHBondContact O-N 3.14Å; M232-Y235 VanDerWaalsContact O-N 3.12Å |
| 233 | P | 95.1 | Very high | 96.6 | Very high | 81 Ų | 81 | 67.1 Ų | 67.1 | 53% | 0.526 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | -43.8 | -174.3 | -30.9 | 37.6 | 0 | 0 | 0 | 114.5 | L174 | L174-P233 WeakPolarHBondContact O-CD 3.42Š|
| 234 | D | 95.7 | Very high | 96.6 | Very high | 82 Ų | 82 | 68.8 Ų | 68.8 | 44% | 0.439 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | 6.5 | -174.5 | -58.7 | -47.7 | 0 | 0 | 0 | 113.2 | L174 G175 M232 K236 F239 | L174-D234 PolarHBondContact O-N 2.81Å; L174-D234 VanDerWaalsContact O-N 3.1Å; G175-D234 VanDerWaalsContact CA-OD2 3.25Å; G175-D234 WeakPolarHBondContact CA-OD2 3.44Å; G175-D234 PolarHBondContact N-OD2 2.78Å; M232-D234 VanDerWaalsContact C-N 3.28Å; M232-D234 PolarHBondContact O-N 3.02Å; M232-D234 VanDerWaalsContact O-N 3.16Å; D234-K236 PolarHBondContact O-N 3.48Å; D234-F239 WeakPolarHBondContact O-CZ 3.22Å |
| 235 | Y | 97.2 | Very high | 96.6 | Very high | 20 Ų | 20 | 67.2 Ų | 67.2 | 8% | 0.078 | 39% | 0.391 | C | S | . | . | trans | -68.3 | 134.1 | 172.1 | -178.7 | -90.5 | 0 | 0 | 0 | 110.8 | V229 T230 M232 P237 F239 K241 | V229-Y235 HydrophobicContact CG2-CD2 4Å; V229-Y235 HydrophobicContact CG2-CE2 4.29Å; V229-Y235 WeakPolarHBondContact O-CB 3.42Å; T230-Y235 HydrophobicContact CG2-CE1 3.92Å; M232-Y235 PolarHBondContact O-N 3.14Å; M232-Y235 VanDerWaalsContact O-N 3.12Å; Y235-P237 HydrophobicContact CE1-CG 4.42Å; Y235-F239 HydrophobicContact CD2-CD2 4.14Å; Y235-F239 HydrophobicContact CD2-CE2 4.23Å; Y235-F239 HydrophobicContact CE2-CD2 4.27Å; Y235-K241 PolarHBondContact OH-NZ 3.07Å | ||
| 236 | K | 97.3 | Very high | 96.7 | Very high | 97 Ų | 97 | 71.1 Ų | 71.1 | 42% | 0.422 | 40% | 0.401 | S | S | . | . | trans | -120.3 | 126.9 | 174.2 | -53.2 | -60.9 | 171.1 | -156.6 | 0 | 109.8 | D234 S238 F239 | D234-K236 PolarHBondContact O-N 3.48Å; K236-S238 PolarHBondContact O-N 3.11Å; K236-S238 VanDerWaalsContact O-N 3.09Å; K236-F239 HydrophobicContact CB-CD1 3.87Å; K236-F239 HydrophobicContact CB-CD2 4.39Å; K236-F239 HydrophobicContact CB-CE1 3.67Å; K236-F239 HydrophobicContact CB-CE2 4.24Å; K236-F239 HydrophobicContact CB-CG 4.23Å; K236-F239 HydrophobicContact CB-CZ 3.87Å; K236-F239 HydrophobicContact CG-CD1 4.43Å; K236-F239 HydrophobicContact CG-CE1 3.74Å; K236-F239 HydrophobicContact CG-CZ 3.8Å; K236-F239 VanDerWaalsContact N-CE2 3.25Å; K236-F239 WeakPolarHBondContact O-CB 3.49Å; K236-F239 VanDerWaalsContact O-CD2 3.29Å; K236-F239 WeakPolarHBondContact O-CD2 3.36Å; K236-F239 VanDerWaalsContact O-CG 3.25Å; K236-F239 WeakPolarHBondContact O-CG 3.47Å; K236-F239 PolarHBondContact O-N 2.9Å | ||
| 237 | P | 95.3 | Very high | 96.5 | Very high | 107 Ų | 107 | 71.1 Ų | 71.1 | 70% | 0.695 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -25.4 | 174.1 | -25.9 | 34.6 | 0 | 0 | 0 | 113.6 | Y235 F239 | Y235-P237 HydrophobicContact CE1-CG 4.42Å; P237-F239 VanDerWaalsContact C-N 3.26Å; P237-F239 PolarHBondContact O-N 3.47Å |
| 238 | S | 97 | Very high | 96.4 | Very high | 104 Ų | 104 | 70.4 Ų | 70.4 | 73% | 0.727 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -1.5 | 177.7 | 55.3 | 0 | 0 | 0 | 0 | 114.7 | K236 | K236-S238 PolarHBondContact O-N 3.11Å; K236-S238 VanDerWaalsContact O-N 3.09Å |
| 239 | F | 97.9 | Very high | 96.4 | Very high | 17 Ų | 17 | 76.3 Ų | 76.3 | 8% | 0.075 | 41% | 0.414 | C | S | . | . | S | Bend | trans | -58.5 | 138.2 | 174.3 | -70.3 | -27.9 | 0 | 0 | 0 | 111.1 | L174 I208 F212 F215 D234 Y235 K236 P237 | L174-F239 HydrophobicContact CD2-CE2 4.03Å; I208-F239 HydrophobicContact CD1-CD1 4.41Å; I208-F239 HydrophobicContact CD1-CE1 3.68Å; I208-F239 HydrophobicContact CD1-CZ 4.18Å; F212-F239 AromaticContact CE1-CD1 3.82Å; F212-F239 HydrophobicContact CE1-CD1 3.82Å; F212-F239 HydrophobicContact CE1-CE1 4.28Å; F212-F239 HydrophobicContact CE1-CG 4.33Å; F212-F239 HydrophobicContact CZ-CD1 4.23Å; F215-F239 HydrophobicContact CE2-CB 4.49Å; F215-F239 AromaticContact CE2-CD2 3.91Å; F215-F239 HydrophobicContact CE2-CD2 3.91Å; F215-F239 HydrophobicContact CE2-CE2 4.39Å; F215-F239 HydrophobicContact CE2-CG 4.34Å; D234-F239 WeakPolarHBondContact O-CZ 3.22Å; Y235-F239 HydrophobicContact CD2-CD2 4.14Å; Y235-F239 HydrophobicContact CD2-CE2 4.23Å; Y235-F239 HydrophobicContact CE2-CD2 4.27Å; K236-F239 HydrophobicContact CB-CD1 3.87Å; K236-F239 HydrophobicContact CB-CD2 4.39Å; K236-F239 HydrophobicContact CB-CE1 3.67Å; K236-F239 HydrophobicContact CB-CE2 4.24Å; K236-F239 HydrophobicContact CB-CG 4.23Å; K236-F239 HydrophobicContact CB-CZ 3.87Å; K236-F239 HydrophobicContact CG-CD1 4.43Å; K236-F239 HydrophobicContact CG-CE1 3.74Å; K236-F239 HydrophobicContact CG-CZ 3.8Å; K236-F239 VanDerWaalsContact N-CE2 3.25Å; K236-F239 WeakPolarHBondContact O-CB 3.49Å; K236-F239 VanDerWaalsContact O-CD2 3.29Å; K236-F239 WeakPolarHBondContact O-CD2 3.36Å; K236-F239 VanDerWaalsContact O-CG 3.25Å; K236-F239 WeakPolarHBondContact O-CG 3.47Å; K236-F239 PolarHBondContact O-N 2.9Å; P237-F239 VanDerWaalsContact C-N 3.26Å; P237-F239 PolarHBondContact O-N 3.47Å |
| 240 | P | 98 | Very high | 96.3 | Very high | 57 Ų | 57 | 77.7 Ų | 77.7 | 37% | 0.37 | 42% | 0.422 | S | S | . | . | trans | -59.9 | 147.6 | 179.7 | -19.9 | 31.3 | 0 | 0 | 0 | 111.3 | F212 T220 W242 | F212-P240 HydrophobicContact CZ-CG 4.46Å; T220-P240 WeakPolarHBondContact CG2-O 3.4Å; T220-P240 PolarHBondContact OG1-O 3.25Å; P240-W242 HydrophobicContact CB-CD2 4.24Å; P240-W242 HydrophobicContact CB-CE3 3.99Å; P240-W242 HydrophobicContact CB-CH2 3.41Å; P240-W242 VanDerWaalsContact CB-CH2 3.41Å; P240-W242 HydrophobicContact CB-CZ2 3.62Å; P240-W242 HydrophobicContact CB-CZ3 3.59Å; P240-W242 HydrophobicContact CG-CH2 3.38Å; P240-W242 HydrophobicContact CG-CZ2 3.88Å; P240-W242 HydrophobicContact CG-CZ3 3.83Å; P240-W242 VanDerWaalsContact O-CE3 3.25Å | ||
| 241 | K | 97.9 | Very high | 96.2 | Very high | 131 Ų | 131 | 74.3 Ų | 74.3 | 57% | 0.57 | 40% | 0.402 | S | S | * | . | trans | -98 | 103.5 | -178.8 | -58.7 | -57 | -177 | -178 | 0 | 109.5 | T220 Y235 | T220-K241 HydrophobicContact CG2-CD 4.04Å; T220-K241 WeakPolarHBondContact OG1-CA 3.43Å; Y235-K241 PolarHBondContact OH-NZ 3.07Å | ||
| 242 | W | 98.5 | Very high | 96.1 | Very high | 69 Ų | 69 | 73.5 Ų | 73.5 | 26% | 0.261 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -99.1 | 142.5 | 175 | -70.5 | -76.1 | 0 | 0 | 0 | 110.8 | F212 F215 R216 G219 T220 P240 | F212-W242 HydrophobicContact CB-CH2 3.91Å; F212-W242 HydrophobicContact CB-CZ3 4.25Å; F212-W242 AromaticContact CD1-CH2 3.81Å; F212-W242 HydrophobicContact CD1-CH2 3.81Å; F212-W242 AromaticContact CD1-CZ3 3.75Å; F212-W242 HydrophobicContact CD1-CZ3 3.75Å; F212-W242 HydrophobicContact CD2-CH2 4.02Å; F212-W242 HydrophobicContact CE1-CH2 4.29Å; F212-W242 HydrophobicContact CE1-CZ3 4.26Å; F212-W242 HydrophobicContact CE2-CH2 4.48Å; F212-W242 AromaticContact CG-CH2 3.65Å; F212-W242 HydrophobicContact CG-CH2 3.65Å; F212-W242 HydrophobicContact CG-CZ3 4.02Å; F215-W242 HydrophobicContact CB-CD2 4.47Å; F215-W242 HydrophobicContact CB-CE3 3.54Å; F215-W242 HydrophobicContact CB-CZ3 3.98Å; F215-W242 HydrophobicContact CD2-CE3 4.3Å; F215-W242 HydrophobicContact CD2-CZ3 4.08Å; F215-W242 HydrophobicContact CG-CE3 4.46Å; F215-W242 WeakPolarHBondContact O-CB 3.42Å; R216-W242 HydrophobicContact CB-CG 4.49Å; R216-W242 HydrophobicContact CG-CD2 3.75Å; R216-W242 HydrophobicContact CG-CE3 4.48Å; R216-W242 HydrophobicContact CG-CG 3.87Å; R216-W242 HydrophobicContact CG-CZ2 4.04Å; G219-W242 VanDerWaalsContact CA-O 3.26Å; G219-W242 WeakPolarHBondContact CA-O 3.3Å; T220-W242 PolarHBondContact N-O 2.95Å; T220-W242 PolarHBondContact OG1-N 2.76Å; P240-W242 HydrophobicContact CB-CD2 4.24Å; P240-W242 HydrophobicContact CB-CE3 3.99Å; P240-W242 HydrophobicContact CB-CH2 3.41Å; P240-W242 VanDerWaalsContact CB-CH2 3.41Å; P240-W242 HydrophobicContact CB-CZ2 3.62Å; P240-W242 HydrophobicContact CB-CZ3 3.59Å; P240-W242 HydrophobicContact CG-CH2 3.38Å; P240-W242 HydrophobicContact CG-CZ2 3.88Å; P240-W242 HydrophobicContact CG-CZ3 3.83Å; P240-W242 VanDerWaalsContact O-CE3 3.25Å |
| 243 | A | 97.6 | Very high | 96.1 | Very high | 84 Ų | 84 | 76.4 Ų | 76.4 | 69% | 0.694 | 42% | 0.415 | S | S | * | . | P | Polyproline II helix | trans | -75.8 | 149.5 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 244 | R | 97 | Very high | 96.1 | Very high | 115 Ų | 115 | 72.6 Ų | 72.6 | 43% | 0.434 | 39% | 0.39 | S | S | . | . | B | Isolated β-bridge | trans | -67.7 | 135.4 | 174.2 | -177.9 | 174.1 | -172.9 | 98.2 | -1.2 | 110.5 | L218 R263 | L218-R244 WeakPolarHBondContact O-CG 3.34Å; L218-R244 PolarHBondContact O-NH1 3.01Å; L218-R244 VanDerWaalsContact O-NH1 3.1Å; R244-R263 VanDerWaalsContact NH2-CG 3.33Å |
| 245 | Q | 96.7 | Very high | 96.1 | Very high | 88 Ų | 88 | 71.5 Ų | 71.5 | 41% | 0.411 | 39% | 0.385 | S | S | . | . | P | Polyproline II helix | trans | -87.8 | 150.2 | 172 | -60.1 | -172 | 35.5 | 0 | 0 | 111.4 | R216 T217 L247 V250 | R216-Q245 PolarHBondContact O-NE2 3.04Å; T217-Q245 WeakPolarHBondContact O-CB 3.45Å; T217-Q245 PolarHBondContact O-N 3.23Å; Q245-L247 PolarHBondContact O-N 3.04Å; Q245-V250 HydrophobicContact CB-CG2 4.09Å |
| 246 | E | 95.1 | Very high | 96.1 | Very high | 129 Ų | 129 | 74.9 Ų | 74.9 | 60% | 0.603 | 40% | 0.401 | S | S | * | . | P | Polyproline II helix | trans | -67.9 | 127.5 | 169.9 | -70.9 | -59 | 146.8 | 0 | 0 | 110.7 | S248 K249 V250 | E246-S248 PolarHBondContact O-N 3.45Å; E246-S248 VanDerWaalsContact O-N 3.15Å; E246-K249 HydrophobicContact CB-CG 4.42Å; E246-K249 WeakPolarHBondContact O-CB 3.41Å; E246-K249 PolarHBondContact O-N 3.19Å; E246-V250 PolarHBondContact O-N 3.24Å |
| 247 | L | 93 | Very high | 96.2 | Very high | 9 Ų | 9 | 72.6 Ų | 72.6 | 5% | 0.047 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -62.5 | -24.3 | -179.4 | -73.1 | -179.2 | 0 | 0 | 0 | 112.8 | Q245 K249 V250 V251 R259 R263 | Q245-L247 PolarHBondContact O-N 3.04Å; L247-K249 PolarHBondContact O-N 2.9Å; L247-V250 HydrophobicContact CD2-CB 4.31Å; L247-V250 HydrophobicContact CD2-CG2 4.46Å; L247-V250 PolarHBondContact O-N 3.49Å; L247-V250 VanDerWaalsContact O-N 3.1Å; L247-V251 HydrophobicContact CB-CG2 4.42Å; L247-V251 WeakPolarHBondContact O-CG2 3.28Å; L247-V251 PolarHBondContact O-N 2.56Å; L247-R259 HydrophobicContact CB-CB 4.44Å; L247-R259 HydrophobicContact CB-CG 4.3Å; L247-R259 WeakPolarHBondContact CD1-O 3.47Å; L247-R263 HydrophobicContact CD1-CB 3.71Å; L247-R263 HydrophobicContact CD1-CG 4.07Å |
| 248 | S | 94.9 | Very high | 96.3 | Very high | 54 Ų | 54 | 67.5 Ų | 67.5 | 38% | 0.378 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -61.2 | -25.1 | 172.2 | 57.7 | 0 | 0 | 0 | 0 | 113.2 | E246 P252 | E246-S248 PolarHBondContact O-N 3.45Å; E246-S248 VanDerWaalsContact O-N 3.15Å; S248-P252 VanDerWaalsContact O-CA 3.3Å; S248-P252 WeakPolarHBondContact O-CA 3.32Å |
| 249 | K | 95.1 | Very high | 96.4 | Very high | 158 Ų | 158 | 64.8 Ų | 64.8 | 69% | 0.687 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -86.4 | -29.7 | 173.2 | -62.1 | -178.5 | -179.7 | 177.8 | 0 | 112.3 | E246 L247 | E246-K249 HydrophobicContact CB-CG 4.42Å; E246-K249 WeakPolarHBondContact O-CB 3.41Å; E246-K249 PolarHBondContact O-N 3.19Å; L247-K249 PolarHBondContact O-N 2.9Å |
| 250 | V | 94.7 | Very high | 96.4 | Very high | 28 Ų | 28 | 66 Ų | 66 | 17% | 0.17 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -80.1 | -41.8 | -177.1 | -177.6 | 0 | 0 | 0 | 0 | 111.6 | L201 T217 Q245 E246 L247 | L201-V250 HydrophobicContact CD1-CG1 3.52Å; T217-V250 HydrophobicContact CG2-CB 4.47Å; T217-V250 HydrophobicContact CG2-CG1 3.85Å; T217-V250 HydrophobicContact CG2-CG2 3.72Å; Q245-V250 HydrophobicContact CB-CG2 4.09Å; E246-V250 PolarHBondContact O-N 3.24Å; L247-V250 HydrophobicContact CD2-CB 4.31Å; L247-V250 HydrophobicContact CD2-CG2 4.46Å; L247-V250 PolarHBondContact O-N 3.49Å; L247-V250 VanDerWaalsContact O-N 3.1Å |
| 251 | V | 95.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -128.4 | 66.1 | 179.2 | -69.2 | 0 | 0 | 0 | 0 | 111.3 | A193 T197 L247 P253 L254 R259 L262 | A193-V251 HydrophobicContact CB-CG1 3.83Å; T197-V251 HydrophobicContact CG2-CB 4.28Å; T197-V251 HydrophobicContact CG2-CG1 3.79Å; L247-V251 HydrophobicContact CB-CG2 4.42Å; L247-V251 WeakPolarHBondContact O-CG2 3.28Å; L247-V251 PolarHBondContact O-N 2.56Å; V251-P253 VanDerWaalsContact C-CD 3.42Å; V251-L254 HydrophobicContact CB-CB 4.21Å; V251-L254 HydrophobicContact CB-CD2 4.46Å; V251-L254 HydrophobicContact CG2-CB 4.03Å; V251-L254 HydrophobicContact CG2-CD2 3.89Å; V251-L254 WeakPolarHBondContact O-CB 3.2Å; V251-L254 PolarHBondContact O-N 3.39Å; V251-L254 VanDerWaalsContact O-N 3.08Å; V251-R259 HydrophobicContact CG2-CG 4.17Å; V251-L262 HydrophobicContact CB-CD2 4.45Å; V251-L262 HydrophobicContact CG1-CD2 3.89Å; V251-L262 HydrophobicContact CG2-CD2 3.74Å |
| 252 | P | 94.4 | Very high | 96.5 | Very high | 84 Ų | 84 | 57 Ų | 57 | 55% | 0.545 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -37.6 | -171 | -24.3 | 32.6 | 0 | 0 | 0 | 116.9 | S248 L254 | S248-P252 VanDerWaalsContact O-CA 3.3Å; S248-P252 WeakPolarHBondContact O-CA 3.32Å; P252-L254 PolarHBondContact O-N 3.24Å |
| 253 | P | 93.9 | Very high | 96.5 | Very high | 90 Ų | 90 | 57.4 Ų | 57.4 | 58% | 0.584 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -10.7 | -179.3 | -17.6 | 31.3 | 0 | 0 | 0 | 114.7 | I196 V251 | I196-P253 HydrophobicContact CG2-CB 4Å; I196-P253 HydrophobicContact CG2-CG 4.07Å; V251-P253 VanDerWaalsContact C-CD 3.42Å |
| 254 | L | 95.5 | Very high | 96.5 | Very high | 2 Ų | 2 | 56.3 Ų | 56.3 | 1% | 0.01 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -83.2 | 134.2 | -174.7 | -166.9 | 57.9 | 0 | 0 | 0 | 110.7 | L100 F192 I196 V251 P252 G258 R259 L262 F284 | L100-L254 HydrophobicContact CD1-CD1 4.25Å; F192-L254 HydrophobicContact CE1-CD2 4.05Å; F192-L254 HydrophobicContact CE2-CD1 3.99Å; F192-L254 HydrophobicContact CE2-CD2 4.47Å; F192-L254 HydrophobicContact CZ-CD1 3.68Å; F192-L254 HydrophobicContact CZ-CD2 3.83Å; F192-L254 HydrophobicContact CZ-CG 4.39Å; I196-L254 HydrophobicContact CD1-CD1 3.91Å; I196-L254 HydrophobicContact CG1-CD1 4.16Å; I196-L254 HydrophobicContact CG2-CB 4.33Å; V251-L254 HydrophobicContact CB-CB 4.21Å; V251-L254 HydrophobicContact CB-CD2 4.46Å; V251-L254 HydrophobicContact CG2-CB 4.03Å; V251-L254 HydrophobicContact CG2-CD2 3.89Å; V251-L254 WeakPolarHBondContact O-CB 3.2Å; V251-L254 PolarHBondContact O-N 3.39Å; V251-L254 VanDerWaalsContact O-N 3.08Å; P252-L254 PolarHBondContact O-N 3.24Å; L254-G258 WeakPolarHBondContact CD2-O 3.25Å; L254-R259 HydrophobicContact CB-CG 4.22Å; L254-R259 HydrophobicContact CD2-CG 4.23Å; L254-R259 HydrophobicContact CG-CG 4.26Å; L254-R259 PolarHBondContact O-NH1 3.24Å; L254-L262 HydrophobicContact CD2-CB 4.4Å; L254-L262 HydrophobicContact CD2-CD2 4.24Å; L254-F284 HydrophobicContact CD1-CE2 4.12Å; L254-F284 HydrophobicContact CD1-CZ 4.21Å |
| 255 | D | 95.4 | Very high | 96.6 | Very high | 59 Ų | 59 | 50.9 Ų | 50.9 | 32% | 0.316 | 26% | 0.257 | S | S | . | . | trans | -69.9 | 176 | 175.4 | 61.9 | 33.4 | 0 | 0 | 0 | 113 | D257 G258 R259 | D255-D257 VanDerWaalsContact C-N 3.32Å; D255-D257 PolarHBondContact O-N 3.16Å; D255-D257 PolarHBondContact OD1-N 3.28Å; D255-G258 PolarHBondContact O-N 3.21Å; D255-G258 PolarHBondContact OD1-N 3.12Å; D255-R259 WeakPolarHBondContact O-CG 3.49Å; D255-R259 PolarHBondContact O-N 2.79Å | ||
| 256 | E | 97.3 | Very high | 96.7 | Very high | 90 Ų | 90 | 46.8 Ų | 46.8 | 42% | 0.421 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -64.6 | -36 | -177 | -172.2 | 55.1 | -147.2 | 0 | 0 | 112.9 | R259 E260 R263 | E256-R259 PolarHBondContact O-N 2.62Å; E256-R259 IonicContact OE2-CZ 3.47Å; E256-R259 VanDerWaalsContact OE2-CZ 3.27Å; E256-R259 IonicContact OE2-NE 2.79Å; E256-R259 PolarHBondContact OE2-NE 3.12Å; E256-R259 IonicContact OE2-NH2 3.62Å; E256-R259 PolarHBondContact OE2-NH2 3.35Å; E256-E260 WeakPolarHBondContact O-CB 3.31Å; E256-E260 PolarHBondContact O-N 2.67Å; E256-R263 IonicContact OE1-NH2 3.52Å |
| 257 | D | 98.3 | Very high | 96.8 | Very high | 50 Ų | 50 | 42 Ų | 42 | 27% | 0.267 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -68.3 | -40.2 | 178.5 | -73.7 | -6.6 | 0 | 0 | 0 | 111.3 | D255 E260 L261 H282 R283 F284 | D255-D257 VanDerWaalsContact C-N 3.32Å; D255-D257 PolarHBondContact O-N 3.16Å; D255-D257 PolarHBondContact OD1-N 3.28Å; D257-E260 PolarHBondContact O-N 3.1Å; D257-L261 PolarHBondContact O-N 3.46Å; D257-H282 PolarHBondContact O-CE1 3.28Å; D257-R283 HydrophobicContact CB-CG 4.12Å; D257-R283 WeakPolarHBondContact OD1-CD 3.32Å; D257-R283 IonicContact OD1-CZ 2.65Å; D257-R283 IonicContact OD1-NE 2.79Å; D257-R283 PolarHBondContact OD1-NE 2.91Å; D257-R283 IonicContact OD1-NH2 3.63Å; D257-R283 WeakPolarHBondContact OD2-CG 3.47Å; D257-F284 HydrophobicContact CB-CB 4.05Å; D257-F284 HydrophobicContact CB-CD2 4.16Å |
| 258 | G | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66.6 | -42 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L254 D255 E260 L261 L262 F284 | L254-G258 WeakPolarHBondContact CD2-O 3.25Å; D255-G258 PolarHBondContact O-N 3.21Å; D255-G258 PolarHBondContact OD1-N 3.12Å; G258-E260 VanDerWaalsContact C-N 3.33Å; G258-E260 PolarHBondContact O-N 3.15Å; G258-L261 PolarHBondContact O-N 3.03Å; G258-L262 VanDerWaalsContact O-CB 3.31Å; G258-L262 WeakPolarHBondContact O-CB 3.34Å; G258-L262 PolarHBondContact O-N 3.27Å; G258-F284 VanDerWaalsContact CA-CD2 3.43Å; G258-F284 VanDerWaalsContact N-CD2 3.33Å |
| 259 | R | 98.4 | Very high | 97.2 | Very high | 47 Ų | 47 | 40 Ų | 40 | 18% | 0.177 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.4 | -39.3 | 175.6 | -73.4 | -174.5 | -60.8 | -106.8 | 5.5 | 111.9 | L247 V251 L254 D255 E256 R263 | L247-R259 HydrophobicContact CB-CB 4.44Å; L247-R259 HydrophobicContact CB-CG 4.3Å; L247-R259 WeakPolarHBondContact CD1-O 3.47Å; V251-R259 HydrophobicContact CG2-CG 4.17Å; L254-R259 HydrophobicContact CB-CG 4.22Å; L254-R259 HydrophobicContact CD2-CG 4.23Å; L254-R259 HydrophobicContact CG-CG 4.26Å; L254-R259 PolarHBondContact O-NH1 3.24Å; D255-R259 WeakPolarHBondContact O-CG 3.49Å; D255-R259 PolarHBondContact O-N 2.79Å; E256-R259 PolarHBondContact O-N 2.62Å; E256-R259 IonicContact OE2-CZ 3.47Å; E256-R259 VanDerWaalsContact OE2-CZ 3.27Å; E256-R259 IonicContact OE2-NE 2.79Å; E256-R259 PolarHBondContact OE2-NE 3.12Å; E256-R259 IonicContact OE2-NH2 3.62Å; E256-R259 PolarHBondContact OE2-NH2 3.35Å; R259-R263 WeakPolarHBondContact O-CB 3.25Å; R259-R263 PolarHBondContact O-N 3.1Å |
| 260 | E | 98.4 | Very high | 97.2 | Very high | 41 Ų | 41 | 33.5 Ų | 33.5 | 19% | 0.192 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -59.7 | -53.4 | 173.4 | -179.4 | 64.6 | -132 | 0 | 0 | 111.4 | E256 D257 G258 L262 R263 Q264 R283 | E256-E260 WeakPolarHBondContact O-CB 3.31Å; E256-E260 PolarHBondContact O-N 2.67Å; D257-E260 PolarHBondContact O-N 3.1Å; G258-E260 VanDerWaalsContact C-N 3.33Å; G258-E260 PolarHBondContact O-N 3.15Å; E260-L262 VanDerWaalsContact C-N 3.33Å; E260-L262 PolarHBondContact O-N 3.22Å; E260-R263 WeakPolarHBondContact O-CB 3.37Å; E260-R263 PolarHBondContact O-N 2.83Å; E260-R263 VanDerWaalsContact O-N 3.14Å; E260-R263 IonicContact OE1-NH1 3.27Å; E260-R263 PolarHBondContact OE1-NH1 3.1Å; E260-R263 VanDerWaalsContact OE1-NH1 3.13Å; E260-R263 IonicContact OE2-CZ 3.87Å; E260-R263 IonicContact OE2-NH1 3.77Å; E260-R263 PolarHBondContact OE2-NH1 2.83Å; E260-R263 IonicContact OE2-NH2 2.61Å; E260-Q264 WeakPolarHBondContact O-CG 3.4Å; E260-Q264 PolarHBondContact O-N 3.49Å; E260-Q264 VanDerWaalsContact O-N 3.09Å; E260-Q264 PolarHBondContact OE1-NE2 2.83Å; E260-R283 IonicContact OE2-NH2 2.83Å |
| 261 | L | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -58.1 | -47.2 | 179.2 | 178.8 | 58.3 | 0 | 0 | 0 | 111.3 | L107 F192 D257 G258 R263 Q264 M265 I274 A279 H282 F284 F285 | L107-L261 HydrophobicContact CD2-CD2 3.87Å; F192-L261 HydrophobicContact CE1-CD2 4.49Å; D257-L261 PolarHBondContact O-N 3.46Å; G258-L261 PolarHBondContact O-N 3.03Å; L261-R263 VanDerWaalsContact C-N 3.28Å; L261-R263 PolarHBondContact O-N 3.43Å; L261-Q264 PolarHBondContact O-N 3.38Å; L261-Q264 VanDerWaalsContact O-N 3.13Å; L261-M265 HydrophobicContact CD1-CG 4.3Å; L261-M265 HydrophobicContact CD1-SD 4.3Å; L261-M265 HydrophobicContact CG-CG 4.5Å; L261-M265 HydrophobicContact CG-SD 4.05Å; L261-M265 WeakPolarHBondContact O-CG 3.41Å; L261-M265 PolarHBondContact O-N 2.79Å; L261-I274 HydrophobicContact CD1-CD1 4.46Å; L261-A279 HydrophobicContact CD1-CB 3.94Å; L261-H282 HydrophobicContact CD1-CB 4.07Å; L261-F284 HydrophobicContact CD2-CB 4.23Å; L261-F284 HydrophobicContact CD2-CD1 3.81Å; L261-F284 HydrophobicContact CD2-CG 4.33Å; L261-F285 HydrophobicContact CD2-CE2 3.52Å; L261-F285 HydrophobicContact CD2-CZ 3.59Å |
| 262 | L | 98.8 | Very high | 97.3 | Very high | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.2 | -40.5 | 178.1 | -178.3 | 62.6 | 0 | 0 | 0 | 111.6 | G189 F192 A193 V251 L254 G258 E260 Q264 M265 L266 | G189-L262 WeakPolarHBondContact O-CD1 3.19Å; F192-L262 HydrophobicContact CD1-CB 4.07Å; F192-L262 HydrophobicContact CD1-CD1 3.89Å; F192-L262 HydrophobicContact CE1-CB 4.01Å; A193-L262 HydrophobicContact CB-CD1 4.31Å; A193-L262 HydrophobicContact CB-CD2 4.17Å; V251-L262 HydrophobicContact CB-CD2 4.45Å; V251-L262 HydrophobicContact CG1-CD2 3.89Å; V251-L262 HydrophobicContact CG2-CD2 3.74Å; L254-L262 HydrophobicContact CD2-CB 4.4Å; L254-L262 HydrophobicContact CD2-CD2 4.24Å; G258-L262 VanDerWaalsContact O-CB 3.31Å; G258-L262 WeakPolarHBondContact O-CB 3.34Å; G258-L262 PolarHBondContact O-N 3.27Å; E260-L262 VanDerWaalsContact C-N 3.33Å; E260-L262 PolarHBondContact O-N 3.22Å; L262-Q264 VanDerWaalsContact C-N 3.32Å; L262-Q264 PolarHBondContact O-N 2.83Å; L262-M265 PolarHBondContact O-N 3.41Å; L262-L266 HydrophobicContact CD1-CD1 3.72Å; L262-L266 HydrophobicContact CD1-CG 4.05Å; L262-L266 HydrophobicContact CG-CD1 3.96Å; L262-L266 WeakPolarHBondContact O-CB 3.25Å; L262-L266 WeakPolarHBondContact O-CG 3.3Å; L262-L266 PolarHBondContact O-N 2.87Å |
| 263 | R | 98.4 | Very high | 97.5 | Very high | 76 Ų | 76 | 41.9 Ų | 41.9 | 29% | 0.287 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -60.3 | -42.4 | 176.4 | -158.9 | -176.5 | -51 | 98.6 | -0.6 | 112 | R244 L247 E256 R259 E260 L261 L266 S267 | R244-R263 VanDerWaalsContact NH2-CG 3.33Å; L247-R263 HydrophobicContact CD1-CB 3.71Å; L247-R263 HydrophobicContact CD1-CG 4.07Å; E256-R263 IonicContact OE1-NH2 3.52Å; R259-R263 WeakPolarHBondContact O-CB 3.25Å; R259-R263 PolarHBondContact O-N 3.1Å; E260-R263 WeakPolarHBondContact O-CB 3.37Å; E260-R263 PolarHBondContact O-N 2.83Å; E260-R263 VanDerWaalsContact O-N 3.14Å; E260-R263 IonicContact OE1-NH1 3.27Å; E260-R263 PolarHBondContact OE1-NH1 3.1Å; E260-R263 VanDerWaalsContact OE1-NH1 3.13Å; E260-R263 IonicContact OE2-CZ 3.87Å; E260-R263 IonicContact OE2-NH1 3.77Å; E260-R263 PolarHBondContact OE2-NH1 2.83Å; E260-R263 IonicContact OE2-NH2 2.61Å; L261-R263 VanDerWaalsContact C-N 3.28Å; L261-R263 PolarHBondContact O-N 3.43Å; R263-L266 CarbonylContact O-C 3.39Å; R263-L266 PolarHBondContact O-N 3.32Å; R263-S267 PolarHBondContact O-N 2.58Å |
| 264 | Q | 98.7 | Very high | 97.7 | Very high | 62 Ų | 62 | 38.5 Ų | 38.5 | 29% | 0.29 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -71.3 | -33.3 | 179.6 | -64.1 | 177.9 | 23.4 | 0 | 0 | 112.2 | E260 L261 L262 I274 | E260-Q264 WeakPolarHBondContact O-CG 3.4Å; E260-Q264 PolarHBondContact O-N 3.49Å; E260-Q264 VanDerWaalsContact O-N 3.09Å; E260-Q264 PolarHBondContact OE1-NE2 2.83Å; L261-Q264 PolarHBondContact O-N 3.38Å; L261-Q264 VanDerWaalsContact O-N 3.13Å; L262-Q264 VanDerWaalsContact C-N 3.32Å; L262-Q264 PolarHBondContact O-N 2.83Å; Q264-I274 HydrophobicContact CB-CB 3.94Å; Q264-I274 HydrophobicContact CB-CD1 4.5Å; Q264-I274 HydrophobicContact CB-CG2 3.86Å; Q264-I274 PolarHBondContact O-N 3.32Å; Q264-I274 VanDerWaalsContact O-N 3.13Å |
| 265 | M | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -70.5 | -30.8 | 173.4 | -65.5 | 177.4 | 80.7 | 0 | 0 | 112.6 | L107 L111 I185 L188 F192 L261 L262 R273 I274 | L107-M265 HydrophobicContact CD1-CE 4.21Å; L111-M265 HydrophobicContact CD2-CE 4.41Å; I185-M265 HydrophobicContact CG2-CB 3.96Å; I185-M265 HydrophobicContact CG2-CE 4.33Å; I185-M265 HydrophobicContact CG2-CG 3.97Å; L188-M265 HydrophobicContact CB-CE 3.77Å; L188-M265 HydrophobicContact CD2-CE 3.94Å; L188-M265 HydrophobicContact CG-CE 3.64Å; F192-M265 HydrophobicContact CD1-SD 4.38Å; L261-M265 HydrophobicContact CD1-CG 4.3Å; L261-M265 HydrophobicContact CD1-SD 4.3Å; L261-M265 HydrophobicContact CG-CG 4.5Å; L261-M265 HydrophobicContact CG-SD 4.05Å; L261-M265 WeakPolarHBondContact O-CG 3.41Å; L261-M265 PolarHBondContact O-N 2.79Å; L262-M265 PolarHBondContact O-N 3.41Å; M265-R273 WeakPolarHBondContact O-CD 3.31Å; M265-R273 VanDerWaalsContact O-CG 3.23Å; M265-R273 WeakPolarHBondContact O-CG 3.21Å; M265-I274 HydrophobicContact CB-CG2 4.44Å; M265-I274 HydrophobicContact CG-CG2 3.74Å |
| 266 | L | 98.6 | Very high | 98 | Very high | 2 Ų | 2 | 37.7 Ų | 37.7 | 1% | 0.01 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | 25.2 | 180 | -61.2 | 179.8 | 0 | 0 | 0 | 113.4 | W186 L201 L218 L262 R263 Y268 | W186-L266 HydrophobicContact CD2-CD2 3.97Å; W186-L266 HydrophobicContact CE3-CD2 3.99Å; W186-L266 HydrophobicContact CH2-CD2 4.44Å; W186-L266 HydrophobicContact CZ2-CD2 4.39Å; W186-L266 HydrophobicContact CZ3-CB 4.22Å; W186-L266 HydrophobicContact CZ3-CD2 4.24Å; W186-L266 WeakPolarHBondContact CZ3-O 3.4Å; L201-L266 HydrophobicContact CD2-CD1 3.64Å; L218-L266 HydrophobicContact CD1-CB 4.08Å; L262-L266 HydrophobicContact CD1-CD1 3.72Å; L262-L266 HydrophobicContact CD1-CG 4.05Å; L262-L266 HydrophobicContact CG-CD1 3.96Å; L262-L266 WeakPolarHBondContact O-CB 3.25Å; L262-L266 WeakPolarHBondContact O-CG 3.3Å; L262-L266 PolarHBondContact O-N 2.87Å; R263-L266 CarbonylContact O-C 3.39Å; R263-L266 PolarHBondContact O-N 3.32Å; L266-Y268 PolarHBondContact O-N 3.44Å |
| 267 | S | 98.2 | Very high | 98.1 | Very high | 28 Ų | 28 | 40.7 Ų | 40.7 | 20% | 0.196 | 20% | 0.197 | C | C | . | . | trans | -63.2 | 133.8 | 171 | 179.8 | 0 | 0 | 0 | 0 | 110.3 | R263 D269 R273 | R263-S267 PolarHBondContact O-N 2.58Å; S267-D269 PolarHBondContact OG-O 3.16Å; S267-R273 PolarHBondContact O-NE 3.39Å; S267-R273 PolarHBondContact O-NH2 3.09Å | ||
| 268 | Y | 98 | Very high | 98.1 | Very high | 9 Ų | 9 | 42.7 Ų | 42.7 | 4% | 0.035 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -60.6 | -59 | 176.3 | -85.9 | -61.1 | 0 | 0 | 0 | 111.3 | P170 I214 F215 L218 G219 P221 W226 L266 P270 R273 | P170-Y268 HydrophobicContact CB-CD1 4.27Å; P170-Y268 HydrophobicContact CB-CE1 4.33Å; P170-Y268 HydrophobicContact CG-CD1 3.92Å; P170-Y268 HydrophobicContact CG-CE1 4.32Å; I214-Y268 HydrophobicContact CG2-CE1 3.79Å; F215-Y268 HydrophobicContact CD1-CE1 4.26Å; F215-Y268 WeakPolarHBondContact CD1-OH 3.24Å; F215-Y268 HydrophobicContact CE1-CE1 4.23Å; L218-Y268 HydrophobicContact CB-CE2 3.8Å; G219-Y268 VanDerWaalsContact O-CE2 3.24Å; G219-Y268 WeakPolarHBondContact O-CE2 3.35Å; G219-Y268 VanDerWaalsContact O-CZ 3.26Å; G219-Y268 PolarHBondContact O-OH 3.15Å; P221-Y268 HydrophobicContact CB-CD1 4.15Å; P221-Y268 HydrophobicContact CB-CD2 4.02Å; P221-Y268 HydrophobicContact CB-CE1 4.3Å; P221-Y268 HydrophobicContact CB-CE2 4.14Å; P221-Y268 HydrophobicContact CB-CG 4.02Å; P221-Y268 HydrophobicContact CG-CD1 4.29Å; P221-Y268 HydrophobicContact CG-CE1 4.1Å; W226-Y268 AromaticContact CE3-CD1 3.91Å; W226-Y268 HydrophobicContact CE3-CD1 3.91Å; W226-Y268 HydrophobicContact CE3-CG 4.12Å; W226-Y268 AromaticContact CZ3-CD1 3.97Å; W226-Y268 HydrophobicContact CZ3-CD1 3.97Å; L266-Y268 PolarHBondContact O-N 3.44Å; Y268-P270 WeakPolarHBondContact O-CD 3.49Å; Y268-P270 VanDerWaalsContact O-N 3.13Å; Y268-R273 PolarHBondContact O-NH2 3.48Å |
| 269 | D | 97 | Very high | 98.1 | Very high | 12 Ų | 12 | 42.7 Ų | 42.7 | 6% | 0.064 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -61.1 | 113.1 | 177.6 | -176.2 | -10.9 | 0 | 0 | 0 | 109.9 | W226 S267 N271 K272 R273 | W226-D269 HydrophobicContact CG-CB 4.29Å; S267-D269 PolarHBondContact OG-O 3.16Å; D269-N271 PolarHBondContact O-N 3.36Å; D269-N271 VanDerWaalsContact O-N 3.15Å; D269-N271 WeakPolarHBondContact OD1-CB 3.26Å; D269-N271 PolarHBondContact OD1-N 3.31Å; D269-N271 PolarHBondContact OD1-ND2 3.48Å; D269-N271 VanDerWaalsContact OD1-ND2 3.17Å; D269-K272 HydrophobicContact CB-CB 4.15Å; D269-K272 HydrophobicContact CB-CD 4.11Å; D269-K272 HydrophobicContact CB-CG 4.09Å; D269-K272 PolarHBondContact O-N 3.03Å; D269-K272 WeakPolarHBondContact OD2-CE 3.42Å; D269-K272 WeakPolarHBondContact OD2-CG 3.3Å; D269-R273 PolarHBondContact O-N 3.01Å; D269-R273 VanDerWaalsContact O-N 3.08Å |
| 270 | P | 95.6 | Very high | 98.1 | Very high | 23 Ų | 23 | 42.3 Ų | 42.3 | 15% | 0.149 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -24.3 | -178.9 | -23.3 | 35.1 | 0 | 0 | 0 | 112.8 | E171 A182 W226 Y268 | E171-P270 HydrophobicContact CB-CG 4.12Å; E171-P270 HydrophobicContact CG-CG 4.04Å; A182-P270 HydrophobicContact CB-CB 3.79Å; W226-P270 HydrophobicContact CZ2-CG 3.93Å; Y268-P270 WeakPolarHBondContact O-CD 3.49Å; Y268-P270 VanDerWaalsContact O-N 3.13Å |
| 271 | N | 95.2 | Very high | 98.1 | Very high | 149 Ų | 149 | 46.4 Ų | 46.4 | 80% | 0.797 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -22.9 | 178.4 | -56.8 | -59.7 | 0 | 0 | 0 | 112.7 | D269 | D269-N271 PolarHBondContact O-N 3.36Å; D269-N271 VanDerWaalsContact O-N 3.15Å; D269-N271 WeakPolarHBondContact OD1-CB 3.26Å; D269-N271 PolarHBondContact OD1-N 3.31Å; D269-N271 PolarHBondContact OD1-ND2 3.48Å; D269-N271 VanDerWaalsContact OD1-ND2 3.17Å |
| 272 | K | 97.1 | Very high | 98.1 | Very high | 125 Ų | 125 | 47.2 Ų | 47.2 | 54% | 0.543 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | -12.7 | 175.3 | -62.2 | -179.2 | -173.2 | 173.4 | 0 | 112.6 | D269 I274 | D269-K272 HydrophobicContact CB-CB 4.15Å; D269-K272 HydrophobicContact CB-CD 4.11Å; D269-K272 HydrophobicContact CB-CG 4.09Å; D269-K272 PolarHBondContact O-N 3.03Å; D269-K272 WeakPolarHBondContact OD2-CE 3.42Å; D269-K272 WeakPolarHBondContact OD2-CG 3.3Å; K272-I274 PolarHBondContact O-N 2.95Å |
| 273 | R | 98.3 | Very high | 98.1 | Very high | 14 Ų | 14 | 52 Ų | 52 | 5% | 0.053 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -65.2 | 131.5 | 177.2 | -161.4 | 177.6 | -62.1 | 149.1 | 6.4 | 109.8 | E171 A182 I185 M265 S267 Y268 D269 S275 | E171-R273 IonicContact OE1-CZ 2.61Å; E171-R273 IonicContact OE1-NH1 3.97Å; E171-R273 PolarHBondContact OE1-NH1 2.97Å; E171-R273 IonicContact OE1-NH2 3.96Å; E171-R273 PolarHBondContact OE1-NH2 3Å; E171-R273 IonicContact OE2-CZ 2.76Å; E171-R273 IonicContact OE2-NH1 3.05Å; E171-R273 PolarHBondContact OE2-NH1 3.37Å; E171-R273 IonicContact OE2-NH2 3.74Å; E171-R273 PolarHBondContact OE2-NH2 2.83Å; A182-R273 HydrophobicContact CB-CB 4.38Å; A182-R273 VanDerWaalsContact O-CD 3.31Å; A182-R273 WeakPolarHBondContact O-CD 3.45Å; A182-R273 PolarHBondContact O-NH1 3.44Å; I185-R273 HydrophobicContact CB-CG 4.43Å; I185-R273 HydrophobicContact CG2-CG 4Å; M265-R273 WeakPolarHBondContact O-CD 3.31Å; M265-R273 VanDerWaalsContact O-CG 3.23Å; M265-R273 WeakPolarHBondContact O-CG 3.21Å; S267-R273 PolarHBondContact O-NE 3.39Å; S267-R273 PolarHBondContact O-NH2 3.09Å; Y268-R273 PolarHBondContact O-NH2 3.48Å; D269-R273 PolarHBondContact O-N 3.01Å; D269-R273 VanDerWaalsContact O-N 3.08Å; R273-S275 PolarHBondContact O-N 3.29Å |
| 274 | I | 98.8 | Very high | 98.1 | Very high | 18 Ų | 18 | 48.4 Ų | 48.4 | 9% | 0.092 | 25% | 0.245 | C | C | . | . | P | Polyproline II helix | trans | -58.8 | 139.4 | -176.4 | -171.7 | 159.3 | 0 | 0 | 0 | 111.2 | I185 L261 Q264 M265 K272 N278 A279 | I185-I274 WeakPolarHBondContact CG1-O 3.26Å; I185-I274 HydrophobicContact CG2-CG2 4.23Å; I185-I274 WeakPolarHBondContact CG2-O 3.44Å; L261-I274 HydrophobicContact CD1-CD1 4.46Å; Q264-I274 HydrophobicContact CB-CB 3.94Å; Q264-I274 HydrophobicContact CB-CD1 4.5Å; Q264-I274 HydrophobicContact CB-CG2 3.86Å; Q264-I274 PolarHBondContact O-N 3.32Å; Q264-I274 VanDerWaalsContact O-N 3.13Å; M265-I274 HydrophobicContact CB-CG2 4.44Å; M265-I274 HydrophobicContact CG-CG2 3.74Å; K272-I274 PolarHBondContact O-N 2.95Å; I274-N278 HydrophobicContact CD1-CB 4.02Å; I274-N278 HydrophobicContact CG1-CB 3.7Å; I274-A279 HydrophobicContact CD1-CB 4.05Å; I274-A279 HydrophobicContact CG1-CB 4.14Å; I274-A279 HydrophobicContact CG2-CB 4.39Å |
| 275 | S | 98.8 | Very high | 98.1 | Very high | 43 Ų | 43 | 46.1 Ų | 46.1 | 30% | 0.301 | 23% | 0.234 | S | C | . | . | P | Polyproline II helix | trans | -76.6 | 155.7 | 172.9 | 70.5 | 0 | 0 | 0 | 0 | 111.1 | R273 K277 N278 A279 | R273-S275 PolarHBondContact O-N 3.29Å; S275-K277 PolarHBondContact O-N 3.33Å; S275-N278 PolarHBondContact O-N 2.73Å; S275-N278 VanDerWaalsContact O-N 3.1Å; S275-N278 WeakPolarHBondContact OG-CB 3.42Å; S275-N278 VanDerWaalsContact OG-CG 3.25Å; S275-N278 PolarHBondContact OG-N 3.49Å; S275-N278 VanDerWaalsContact OG-N 3.14Å; S275-N278 PolarHBondContact OG-ND2 3.26Å; S275-A279 WeakPolarHBondContact O-CB 3.26Å; S275-A279 PolarHBondContact O-N 3.41Å |
| 276 | A | 98.5 | Very high | 98 | Very high | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.008 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -54.1 | -42.6 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | L111 L114 A115 I185 N278 A279 L280 | L111-A276 HydrophobicContact CD2-CB 4.25Å; L114-A276 HydrophobicContact CB-CB 4.02Å; A115-A276 HydrophobicContact CB-CB 3.9Å; I185-A276 HydrophobicContact CD1-CB 3.77Å; A276-N278 PolarHBondContact O-N 2.92Å; A276-A279 PolarHBondContact O-N 2.89Å; A276-L280 WeakPolarHBondContact O-CG 3.09Å; A276-L280 PolarHBondContact O-N 2.8Å; A276-L280 VanDerWaalsContact O-N 3.16Å |
| 277 | K | 98.4 | Very high | 98 | Very high | 154 Ų | 154 | 61 Ų | 61 | 67% | 0.67 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -59.4 | -44.4 | 177.3 | -176.3 | 179.1 | 178.2 | -179.3 | 0 | 112.7 | S275 | S275-K277 PolarHBondContact O-N 3.33Å |
| 278 | N | 98.7 | Very high | 97.9 | Very high | 92 Ų | 92 | 61.8 Ų | 61.8 | 49% | 0.492 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -74.7 | -31.9 | -179.8 | -70.1 | -5 | 0 | 0 | 0 | 111.7 | I274 S275 A276 L280 V281 | I274-N278 HydrophobicContact CD1-CB 4.02Å; I274-N278 HydrophobicContact CG1-CB 3.7Å; S275-N278 PolarHBondContact O-N 2.73Å; S275-N278 VanDerWaalsContact O-N 3.1Å; S275-N278 WeakPolarHBondContact OG-CB 3.42Å; S275-N278 VanDerWaalsContact OG-CG 3.25Å; S275-N278 PolarHBondContact OG-N 3.49Å; S275-N278 VanDerWaalsContact OG-N 3.14Å; S275-N278 PolarHBondContact OG-ND2 3.26Å; A276-N278 PolarHBondContact O-N 2.92Å; N278-L280 VanDerWaalsContact C-N 3.3Å; N278-L280 PolarHBondContact O-N 3.02Å; N278-V281 WeakPolarHBondContact O-CG2 3.33Å; N278-V281 PolarHBondContact O-N 3.17Å |
| 279 | A | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63.8 | -35.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L111 L261 I274 S275 A276 V281 H282 F285 | L111-A279 HydrophobicContact CD1-CB 3.73Å; L111-A279 HydrophobicContact CD2-CB 3.75Å; L111-A279 HydrophobicContact CG-CB 4.38Å; L261-A279 HydrophobicContact CD1-CB 3.94Å; I274-A279 HydrophobicContact CD1-CB 4.05Å; I274-A279 HydrophobicContact CG1-CB 4.14Å; I274-A279 HydrophobicContact CG2-CB 4.39Å; S275-A279 WeakPolarHBondContact O-CB 3.26Å; S275-A279 PolarHBondContact O-N 3.41Å; A276-A279 PolarHBondContact O-N 2.89Å; A279-V281 PolarHBondContact O-N 2.94Å; A279-H282 WeakPolarHBondContact O-CB 3.45Å; A279-H282 PolarHBondContact O-N 3.35Å; A279-F285 WeakPolarHBondContact O-CD2 3.4Å; A279-F285 WeakPolarHBondContact O-CE2 3.47Å |
| 280 | L | 98.7 | Very high | 97.9 | Very high | 39 Ų | 39 | 70.5 Ų | 70.5 | 20% | 0.204 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -26.9 | 178.2 | -74.2 | 168.6 | 0 | 0 | 0 | 114.4 | F108 L111 Q112 A115 A276 N278 | F108-L280 HydrophobicContact CD2-CD2 3.74Å; F108-L280 HydrophobicContact CE2-CD2 3.63Å; F108-L280 HydrophobicContact CG-CD2 4.34Å; F108-L280 HydrophobicContact CZ-CD2 4.13Å; L111-L280 HydrophobicContact CB-CD2 3.62Å; L111-L280 HydrophobicContact CB-CG 3.97Å; Q112-L280 HydrophobicContact CG-CD1 4.28Å; Q112-L280 HydrophobicContact CG-CD2 3.62Å; A115-L280 HydrophobicContact CB-CD1 3.99Å; A276-L280 WeakPolarHBondContact O-CG 3.09Å; A276-L280 PolarHBondContact O-N 2.8Å; A276-L280 VanDerWaalsContact O-N 3.16Å; N278-L280 VanDerWaalsContact C-N 3.3Å; N278-L280 PolarHBondContact O-N 3.02Å |
| 281 | V | 98.3 | Very high | 97.9 | Very high | 126 Ų | 126 | 71.1 Ų | 71.1 | 76% | 0.764 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.8 | 9.1 | 178 | -60.4 | 0 | 0 | 0 | 0 | 112.7 | N278 A279 | N278-V281 WeakPolarHBondContact O-CG2 3.33Å; N278-V281 PolarHBondContact O-N 3.17Å; A279-V281 PolarHBondContact O-N 2.94Å |
| 282 | H | 98.8 | Very high | 97.8 | Very high | 18 Ų | 18 | 70.9 Ų | 70.9 | 8% | 0.083 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -68.3 | 144.5 | 178.7 | -167.4 | -90.6 | 0 | 0 | 0 | 111.6 | D257 L261 A279 F284 F285 | D257-H282 PolarHBondContact O-CE1 3.28Å; L261-H282 HydrophobicContact CD1-CB 4.07Å; A279-H282 WeakPolarHBondContact O-CB 3.45Å; A279-H282 PolarHBondContact O-N 3.35Å; H282-F284 VanDerWaalsContact ND1-CB 3.34Å; H282-F284 WeakPolarHBondContact ND1-CB 3.29Å; H282-F284 PolarHBondContact ND1-N 3.24Å; H282-F284 VanDerWaalsContact ND1-N 3.17Å; H282-F284 PolarHBondContact O-N 2.92Å; H282-F284 VanDerWaalsContact O-N 3.07Å; H282-F285 HydrophobicContact CB-CD2 4.24Å; H282-F285 HydrophobicContact CB-CE2 4.45Å; H282-F285 PolarHBondContact O-N 2.87Å |
| 283 | R | 98.4 | Very high | 97.6 | Very high | 101 Ų | 101 | 65.4 Ų | 65.4 | 38% | 0.381 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -57.7 | -25.4 | -177.9 | 55 | 179 | -177.2 | -105.4 | 1.1 | 114.7 | D257 E260 F285 R286 | D257-R283 HydrophobicContact CB-CG 4.12Å; D257-R283 WeakPolarHBondContact OD1-CD 3.32Å; D257-R283 IonicContact OD1-CZ 2.65Å; D257-R283 IonicContact OD1-NE 2.79Å; D257-R283 PolarHBondContact OD1-NE 2.91Å; D257-R283 IonicContact OD1-NH2 3.63Å; D257-R283 WeakPolarHBondContact OD2-CG 3.47Å; E260-R283 IonicContact OE2-NH2 2.83Å; R283-F285 PolarHBondContact O-N 2.66Å; R283-F285 VanDerWaalsContact O-N 3.09Å; R283-R286 WeakPolarHBondContact O-CB 3.34Å; R283-R286 WeakPolarHBondContact O-CG 3.24Å; R283-R286 PolarHBondContact O-N 3.05Å; R283-R286 VanDerWaalsContact O-N 3.13Å |
| 284 | F | 98.6 | Very high | 97 | Very high | 1 Ų | 1 | 73.4 Ų | 73.4 | 0% | 0.004 | 36% | 0.363 | C | S | . | . | G | 310 helix | trans | -54.9 | -25.1 | 173.3 | -176.7 | -114.7 | 0 | 0 | 0 | 113.4 | L100 K104 L107 F192 L254 D257 G258 L261 H282 | L100-F284 HydrophobicContact CD1-CZ 4.24Å; K104-F284 HydrophobicContact CB-CE1 4.17Å; K104-F284 HydrophobicContact CB-CZ 4.27Å; K104-F284 WeakPolarHBondContact CD-O 3.25Å; K104-F284 WeakPolarHBondContact CE-O 3.4Å; K104-F284 HydrophobicContact CG-CD1 4.28Å; K104-F284 HydrophobicContact CG-CE1 3.87Å; K104-F284 HydrophobicContact CG-CZ 4.22Å; K104-F284 PolarHBondContact NZ-O 3.23Å; K104-F284 VanDerWaalsContact NZ-O 3.16Å; L107-F284 HydrophobicContact CD2-CD1 4.41Å; L107-F284 HydrophobicContact CD2-CE1 4.08Å; F192-F284 HydrophobicContact CE2-CE1 4.1Å; F192-F284 HydrophobicContact CE2-CZ 4.07Å; F192-F284 HydrophobicContact CZ-CD1 4.42Å; F192-F284 AromaticContact CZ-CE1 3.71Å; F192-F284 HydrophobicContact CZ-CE1 3.71Å; F192-F284 HydrophobicContact CZ-CE2 4.5Å; F192-F284 AromaticContact CZ-CZ 3.76Å; F192-F284 HydrophobicContact CZ-CZ 3.76Å; L254-F284 HydrophobicContact CD1-CE2 4.12Å; L254-F284 HydrophobicContact CD1-CZ 4.21Å; D257-F284 HydrophobicContact CB-CB 4.05Å; D257-F284 HydrophobicContact CB-CD2 4.16Å; G258-F284 VanDerWaalsContact CA-CD2 3.43Å; G258-F284 VanDerWaalsContact N-CD2 3.33Å; L261-F284 HydrophobicContact CD2-CB 4.23Å; L261-F284 HydrophobicContact CD2-CD1 3.81Å; L261-F284 HydrophobicContact CD2-CG 4.33Å; H282-F284 VanDerWaalsContact ND1-CB 3.34Å; H282-F284 WeakPolarHBondContact ND1-CB 3.29Å; H282-F284 PolarHBondContact ND1-N 3.24Å; H282-F284 VanDerWaalsContact ND1-N 3.17Å; H282-F284 PolarHBondContact O-N 2.92Å; H282-F284 VanDerWaalsContact O-N 3.07Å |
| 285 | F | 98.6 | Very high | 96.4 | Very high | 13 Ų | 13 | 73.9 Ų | 73.9 | 6% | 0.057 | 37% | 0.366 | C | S | . | . | G | 310 helix | trans | -99.9 | 7.3 | -177.9 | -59.1 | -63.6 | 0 | 0 | 0 | 114.6 | K104 L107 F108 L111 L261 A279 H282 R283 D287 V288 | K104-F285 HydrophobicContact CG-CD1 3.82Å; K104-F285 HydrophobicContact CG-CE1 4.17Å; L107-F285 HydrophobicContact CB-CE1 4.27Å; L107-F285 HydrophobicContact CB-CZ 4.39Å; L107-F285 HydrophobicContact CD2-CE1 4.13Å; L107-F285 HydrophobicContact CD2-CZ 3.71Å; L107-F285 HydrophobicContact CG-CE1 4.22Å; L107-F285 HydrophobicContact CG-CZ 3.84Å; F108-F285 HydrophobicContact CB-CD1 3.86Å; F108-F285 HydrophobicContact CB-CE1 3.8Å; F108-F285 HydrophobicContact CD2-CB 3.94Å; F108-F285 AromaticContact CD2-CD1 3.69Å; F108-F285 HydrophobicContact CD2-CD1 3.69Å; F108-F285 HydrophobicContact CD2-CD2 4.08Å; F108-F285 HydrophobicContact CD2-CE1 4.18Å; F108-F285 AromaticContact CD2-CG 3.64Å; F108-F285 HydrophobicContact CD2-CG 3.64Å; F108-F285 HydrophobicContact CE2-CB 4.2Å; F108-F285 HydrophobicContact CE2-CG 4.3Å; F108-F285 HydrophobicContact CG-CD1 4.21Å; L111-F285 HydrophobicContact CD1-CE2 3.65Å; L111-F285 HydrophobicContact CD1-CZ 3.56Å; L261-F285 HydrophobicContact CD2-CE2 3.52Å; L261-F285 HydrophobicContact CD2-CZ 3.59Å; A279-F285 WeakPolarHBondContact O-CD2 3.4Å; A279-F285 WeakPolarHBondContact O-CE2 3.47Å; H282-F285 HydrophobicContact CB-CD2 4.24Å; H282-F285 HydrophobicContact CB-CE2 4.45Å; H282-F285 PolarHBondContact O-N 2.87Å; R283-F285 PolarHBondContact O-N 2.66Å; R283-F285 VanDerWaalsContact O-N 3.09Å; F285-D287 PolarHBondContact O-N 3.22Å; F285-V288 HydrophobicContact CB-CB 4.43Å; F285-V288 HydrophobicContact CB-CG1 4.41Å; F285-V288 VanDerWaalsContact O-CG1 3.28Å; F285-V288 WeakPolarHBondContact O-CG1 3.45Å; F285-V288 PolarHBondContact O-N 2.73Å |
| 286 | R | 97.3 | Very high | 95.3 | Very high | 214 Ų | 214 | 82.9 Ų | 82.9 | 81% | 0.808 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -29.9 | -177.9 | -78.6 | 174.1 | 176.2 | 179.4 | -1.1 | 114 | R283 | R283-R286 WeakPolarHBondContact O-CB 3.34Å; R283-R286 WeakPolarHBondContact O-CG 3.24Å; R283-R286 PolarHBondContact O-N 3.05Å; R283-R286 VanDerWaalsContact O-N 3.13Å |
| 287 | D | 97.3 | Very high | 94.2 | Very high | 102 Ų | 102 | 90.1 Ų | 90.1 | 55% | 0.545 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.1 | 19.7 | -176.5 | 64.9 | -38.5 | 0 | 0 | 0 | 111.8 | K104 F285 T289 | K104-D287 IonicContact NZ-OD1 2.7Å; K104-D287 PolarHBondContact NZ-OD1 3.04Å; K104-D287 IonicContact NZ-OD2 3.46Å; K104-D287 PolarHBondContact NZ-OD2 3.41Å; F285-D287 PolarHBondContact O-N 3.22Å; D287-T289 PolarHBondContact O-N 3.01Å |
| 288 | V | 97.8 | Very high | 94 | Very high | 44 Ų | 44 | 86.9 Ų | 86.9 | 27% | 0.267 | 42% | 0.419 | S | S | . | . | trans | -62.6 | 134.8 | 179.1 | 70 | 0 | 0 | 0 | 0 | 110.7 | K104 F108 F285 | K104-V288 HydrophobicContact CD-CB 4.16Å; K104-V288 HydrophobicContact CD-CG2 4.45Å; K104-V288 HydrophobicContact CG-CB 4.13Å; K104-V288 HydrophobicContact CG-CG2 3.96Å; F108-V288 HydrophobicContact CB-CG2 4.05Å; F108-V288 HydrophobicContact CD1-CG1 4.49Å; F108-V288 HydrophobicContact CD2-CG1 4.47Å; F108-V288 HydrophobicContact CG-CG1 4.41Å; F108-V288 HydrophobicContact CG-CG2 4.28Å; F285-V288 HydrophobicContact CB-CB 4.43Å; F285-V288 HydrophobicContact CB-CG1 4.41Å; F285-V288 VanDerWaalsContact O-CG1 3.28Å; F285-V288 WeakPolarHBondContact O-CG1 3.45Å; F285-V288 PolarHBondContact O-N 2.73Å | ||
| 289 | T | 97.2 | Very high | 93.7 | Very high | 84 Ų | 84 | 86.6 Ų | 86.6 | 52% | 0.515 | 42% | 0.415 | S | S | . | . | trans | -128.5 | 173.5 | 174.8 | 56.9 | 0 | 0 | 0 | 0 | 109.2 | S105 D287 P291 | S105-T289 VanDerWaalsContact CB-O 3.25Å; S105-T289 WeakPolarHBondContact CB-O 3.24Å; S105-T289 PolarHBondContact OG-O 3.09Å; D287-T289 PolarHBondContact O-N 3.01Å; T289-P291 VanDerWaalsContact C-CD 3.41Å; T289-P291 WeakPolarHBondContact O-CD 3.2Å | ||
| 290 | M | 96.1 | Very high | 93.5 | Very high | 120 Ų | 120 | 91.4 Ų | 91.4 | 59% | 0.591 | 44% | 0.438 | S | S | * | . | trans | -111.6 | 78.4 | 173.8 | -79.3 | -176.9 | 44.5 | 0 | 0 | 111.3 | ||||
| 291 | P | 96 | Very high | 93.2 | Very high | 35 Ų | 35 | 94.5 Ų | 94.5 | 23% | 0.227 | 45% | 0.452 | C | S | . | . | P | Polyproline II helix | trans | -72 | 146.8 | 174.9 | 30.4 | -33.7 | 0 | 0 | 0 | 111.2 | P101 L102 T289 | P101-P291 HydrophobicContact CB-CG 4.15Å; L102-P291 HydrophobicContact CB-CG 3.94Å; L102-P291 HydrophobicContact CD1-CG 4.08Å; T289-P291 VanDerWaalsContact C-CD 3.41Å; T289-P291 WeakPolarHBondContact O-CD 3.2Å |
| 292 | M | 93.8 | Very high | 92.8 | Very high | 145 Ų | 145 | 92.6 Ų | 92.6 | 71% | 0.714 | 43% | 0.433 | S | S | * | . | P | Polyproline II helix | trans | -80.9 | 132.3 | 175 | -70.2 | -177.7 | -81.5 | 0 | 0 | 111.1 | ||
| 293 | P | 92.3 | Very high | 92.4 | Very high | 10 Ų | 10 | 97.5 Ų | 97.5 | 7% | 0.065 | 46% | 0.456 | C | S | . | . | P | Polyproline II helix | trans | -77.6 | 149.2 | 175.6 | 31.3 | -35.3 | 0 | 0 | 0 | 111.3 | F90 L102 N135 L295 | F90-P293 HydrophobicContact CE2-CB 4.1Å; F90-P293 HydrophobicContact CZ-CB 3.87Å; L102-P293 HydrophobicContact CD2-CB 3.84Å; N135-P293 VanDerWaalsContact O-CG 3.32Å; N135-P293 WeakPolarHBondContact O-CG 3.34Å; P293-L295 HydrophobicContact CB-CD2 4.1Å; P293-L295 HydrophobicContact CB-CG 4.34Å; P293-L295 HydrophobicContact CG-CD1 4.48Å; P293-L295 HydrophobicContact CG-CD2 4.18Å; P293-L295 HydrophobicContact CG-CG 4.04Å; P293-L295 PolarHBondContact O-N 3.26Å; P293-L295 VanDerWaalsContact O-N 3.14Å |
| 294 | H | 86.6 | Confident | 92 | Very high | 182 Ų | 182 | 97.3 Ų | 97.3 | 84% | 0.843 | 46% | 0.461 | S | S | * | . | trans | -82.1 | 88.3 | 167.8 | -68.3 | -55.5 | 0 | 0 | 0 | 110.2 | ||||
| 295 | L | 85.3 | Confident | 91.5 | Very high | 28 Ų | 28 | 104.7 Ų | 104.7 | 15% | 0.147 | 50% | 0.496 | C | S | . | . | trans | -85.9 | 133.8 | 172.1 | -56.5 | -172.6 | 0 | 0 | 0 | 110.5 | H84 F90 I134 A136 P293 L297 | H84-L295 HydrophobicContact CB-CD1 4.44Å; F90-L295 HydrophobicContact CD2-CD2 3.56Å; F90-L295 HydrophobicContact CE2-CD2 3.66Å; I134-L295 HydrophobicContact CD1-CD2 3.72Å; I134-L295 HydrophobicContact CG1-CD2 4.43Å; A136-L295 HydrophobicContact CB-CD1 4.24Å; P293-L295 HydrophobicContact CB-CD2 4.1Å; P293-L295 HydrophobicContact CB-CG 4.34Å; P293-L295 HydrophobicContact CG-CD1 4.48Å; P293-L295 HydrophobicContact CG-CD2 4.18Å; P293-L295 HydrophobicContact CG-CG 4.04Å; P293-L295 PolarHBondContact O-N 3.26Å; P293-L295 VanDerWaalsContact O-N 3.14Å; L295-L297 HydrophobicContact CB-CD2 3.77Å; L295-L297 HydrophobicContact CB-CG 3.88Å; L295-L297 HydrophobicContact CD1-CD2 4.09Å; L295-L297 PolarHBondContact O-N 2.9Å | ||
| 296 | R | 75.5 | Confident | 90.9 | Very high | 231 Ų | 231 | 112.3 Ų | 112.3 | 87% | 0.872 | 53% | 0.533 | S | S | * | . | trans | -93.8 | 91 | 168.3 | -64.2 | -177.5 | -173.8 | 176.2 | 1.5 | 107.2 | ||||
| 297 | L | 76 | Confident | 90.3 | Very high | 153 Ų | 153 | 103.1 Ų | 103.1 | 80% | 0.801 | 51% | 0.508 | S | S | * | . | trans | -88.3 | 0 | -175.9 | -60.8 | -177.1 | 0 | 0 | 0 | 112.7 | H84 A136 L295 | H84-L297 HydrophobicContact CB-CD2 3.42Å; H84-L297 VanDerWaalsContact CB-CD2 3.42Å; A136-L297 HydrophobicContact CB-CD1 4.24Å; L295-L297 HydrophobicContact CB-CD2 3.77Å; L295-L297 HydrophobicContact CB-CG 3.88Å; L295-L297 HydrophobicContact CD1-CD2 4.09Å; L295-L297 PolarHBondContact O-N 2.9Å |
Retrieved 297 of 297 residues in 1392.8 ms
(Link to these results)